USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 916 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 206 ASN : amide:sc= 0.795 K(o=0.85,f=-2.1!) USER MOD Set 1.2: B 207 SER OG : rot -77:sc= 0.0553 USER MOD Set 2.1: A 55 THR OG1 : rot 130:sc= 0.983 USER MOD Set 2.2: A 95 LYS NZ :NH3+ -138:sc= 1.95 (180deg=0.499) USER MOD Set 3.1: A 69 LYS NZ :NH3+ 165:sc= 0.382 (180deg=-1.17) USER MOD Set 3.2: A 76 THR OG1 : rot -160:sc= 1.1 USER MOD Set 4.1: A 39 ASN : amide:sc= -2.31! C(o=-1.5!,f=-6.9!) USER MOD Set 4.2: A 40 SER OG : rot 3:sc= 0.843 USER MOD Set 5.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 19 SER OG : rot 142:sc= -0.68! USER MOD Set 6.1: A 4 THR OG1 : rot -60:sc= 1.08 USER MOD Set 6.2: A 84 GLN : amide:sc= 1.6 K(o=3.9,f=-1.3) USER MOD Set 6.3: A 87 CYS SG : rot 71:sc= 1.23 USER MOD Set 7.1: A 3 LYS NZ :NH3+ -135:sc= 1.27 (180deg=-0.0807) USER MOD Set 7.2: A 9 GLN : amide:sc= 1.53 K(o=2.8,f=-5.7!) USER MOD Single : A 1 MET CE :methyl -141:sc= -0.199 (180deg=-0.912) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.0172 (180deg=-0.0508) USER MOD Single : A 7 MET CE :methyl -153:sc= 0 (180deg=-0.00591) USER MOD Single : A 13 MET CE :methyl -158:sc= -0.365 (180deg=-1.21) USER MOD Single : A 15 THR OG1 : rot -150:sc= -0.254 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= 0.859 K(o=0.86,f=-6.6!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.32 X(o=-1.3,f=-1) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 73:sc= -0.0244 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 37 GLN : amide:sc= -1.1! K(o=-1.1!,f=-2.1) USER MOD Single : A 45 GLN : amide:sc= -0.819 K(o=-0.82,f=-5.4!) USER MOD Single : A 49 GLN : amide:sc= -0.873 K(o=-0.87,f=-0.18) USER MOD Single : A 62 GLN : amide:sc= -2.36 K(o=-2.4,f=-3!) USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= -0.0309 (180deg=-0.246) USER MOD Single : A 67 LYS NZ :NH3+ -152:sc= 2.45 (180deg=1.28) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 160:sc= -0.217 (180deg=-0.693) USER MOD Single : A 74 MET CE :methyl -150:sc= 0 (180deg=-0.0908) USER MOD Single : A 79 SER OG : rot -65:sc= 1.27 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -1.93! C(o=-1.9!,f=-8!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0.581 K(o=0.58,f=0) USER MOD Single : B 192 TYR OH : rot -148:sc= -0.683! USER MOD Single : B 196 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 199 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00812) USER MOD Single : B 201 LYS NZ :NH3+ -163:sc= -0.0654 (180deg=-0.359) USER MOD Single : B 204 MET CE :methyl 163:sc= -0.0804 (180deg=-0.482) USER MOD Single : B 205 THR OG1 : rot 131:sc= 1.26 USER MOD Single : B 208 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.091 -13.489 -10.967 1.00 1.79 N ATOM 2 CA MET A 1 -3.287 -12.783 -9.677 1.00 1.50 C ATOM 3 C MET A 1 -4.590 -11.994 -9.700 1.00 1.45 C ATOM 4 O MET A 1 -4.602 -10.770 -9.560 1.00 2.06 O ATOM 5 CB MET A 1 -2.096 -11.857 -9.378 1.00 1.78 C ATOM 6 CG MET A 1 -1.781 -10.861 -10.486 1.00 2.07 C ATOM 7 SD MET A 1 -0.456 -9.718 -10.042 1.00 2.89 S ATOM 8 CE MET A 1 -1.170 -8.901 -8.616 1.00 2.97 C ATOM 0 H1 MET A 1 -2.168 -13.968 -10.964 1.00 1.79 H new ATOM 0 H2 MET A 1 -3.846 -14.193 -11.096 1.00 1.79 H new ATOM 0 H3 MET A 1 -3.122 -12.802 -11.747 1.00 1.79 H new ATOM 0 HA MET A 1 -3.346 -13.526 -8.881 1.00 1.50 H new ATOM 0 HB2 MET A 1 -2.300 -11.307 -8.459 1.00 1.78 H new ATOM 0 HB3 MET A 1 -1.213 -12.469 -9.194 1.00 1.78 H new ATOM 0 HG2 MET A 1 -1.499 -11.405 -11.388 1.00 2.07 H new ATOM 0 HG3 MET A 1 -2.680 -10.293 -10.724 1.00 2.07 H new ATOM 0 HE1 MET A 1 -0.914 -7.842 -8.637 1.00 2.97 H new ATOM 0 HE2 MET A 1 -2.254 -9.013 -8.638 1.00 2.97 H new ATOM 0 HE3 MET A 1 -0.777 -9.351 -7.704 1.00 2.97 H new ATOM 20 N ALA A 2 -5.692 -12.707 -9.874 1.00 1.41 N ATOM 21 CA ALA A 2 -7.006 -12.088 -9.928 1.00 1.47 C ATOM 22 C ALA A 2 -7.543 -11.786 -8.531 1.00 1.31 C ATOM 23 O ALA A 2 -8.525 -12.387 -8.085 1.00 1.40 O ATOM 24 CB ALA A 2 -7.973 -12.980 -10.691 1.00 1.83 C ATOM 0 H ALA A 2 -5.701 -13.721 -9.981 1.00 1.41 H new ATOM 0 HA ALA A 2 -6.909 -11.138 -10.453 1.00 1.47 H new ATOM 0 HB1 ALA A 2 -8.954 -12.507 -10.726 1.00 1.83 H new ATOM 0 HB2 ALA A 2 -7.606 -13.129 -11.707 1.00 1.83 H new ATOM 0 HB3 ALA A 2 -8.052 -13.944 -10.189 1.00 1.83 H new ATOM 30 N LYS A 3 -6.891 -10.854 -7.839 1.00 1.21 N ATOM 31 CA LYS A 3 -7.318 -10.461 -6.502 1.00 1.10 C ATOM 32 C LYS A 3 -8.530 -9.546 -6.608 1.00 1.05 C ATOM 33 O LYS A 3 -8.414 -8.324 -6.506 1.00 1.21 O ATOM 34 CB LYS A 3 -6.188 -9.754 -5.736 1.00 1.11 C ATOM 35 CG LYS A 3 -6.437 -9.666 -4.237 1.00 1.22 C ATOM 36 CD LYS A 3 -5.522 -8.654 -3.568 1.00 1.18 C ATOM 37 CE LYS A 3 -5.713 -8.635 -2.056 1.00 1.23 C ATOM 38 NZ LYS A 3 -5.093 -9.816 -1.397 1.00 1.47 N ATOM 0 H LYS A 3 -6.068 -10.359 -8.182 1.00 1.21 H new ATOM 0 HA LYS A 3 -7.582 -11.361 -5.946 1.00 1.10 H new ATOM 0 HB2 LYS A 3 -5.253 -10.286 -5.911 1.00 1.11 H new ATOM 0 HB3 LYS A 3 -6.062 -8.748 -6.136 1.00 1.11 H new ATOM 0 HG2 LYS A 3 -7.476 -9.390 -4.057 1.00 1.22 H new ATOM 0 HG3 LYS A 3 -6.285 -10.647 -3.786 1.00 1.22 H new ATOM 0 HD2 LYS A 3 -4.484 -8.892 -3.801 1.00 1.18 H new ATOM 0 HD3 LYS A 3 -5.720 -7.661 -3.972 1.00 1.18 H new ATOM 0 HE2 LYS A 3 -5.278 -7.723 -1.648 1.00 1.23 H new ATOM 0 HE3 LYS A 3 -6.778 -8.610 -1.826 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 -5.753 -10.209 -0.696 1.00 1.47 H new ATOM 0 HZ2 LYS A 3 -4.877 -10.539 -2.113 1.00 1.47 H new ATOM 0 HZ3 LYS A 3 -4.215 -9.527 -0.921 1.00 1.47 H new ATOM 52 N THR A 4 -9.684 -10.148 -6.853 1.00 1.06 N ATOM 53 CA THR A 4 -10.921 -9.402 -6.991 1.00 1.06 C ATOM 54 C THR A 4 -12.119 -10.224 -6.504 1.00 1.13 C ATOM 55 O THR A 4 -12.859 -9.790 -5.623 1.00 1.27 O ATOM 56 CB THR A 4 -11.145 -8.974 -8.463 1.00 1.12 C ATOM 57 OG1 THR A 4 -10.026 -8.199 -8.925 1.00 1.22 O ATOM 58 CG2 THR A 4 -12.428 -8.163 -8.621 1.00 1.23 C ATOM 0 H THR A 4 -9.787 -11.157 -6.960 1.00 1.06 H new ATOM 0 HA THR A 4 -10.836 -8.509 -6.372 1.00 1.06 H new ATOM 0 HB THR A 4 -11.239 -9.880 -9.062 1.00 1.12 H new ATOM 0 HG1 THR A 4 -9.931 -7.398 -8.369 1.00 1.22 H new ATOM 0 HG21 THR A 4 -12.553 -7.880 -9.666 1.00 1.23 H new ATOM 0 HG22 THR A 4 -13.280 -8.764 -8.304 1.00 1.23 H new ATOM 0 HG23 THR A 4 -12.369 -7.265 -8.006 1.00 1.23 H new ATOM 66 N GLU A 5 -12.279 -11.425 -7.052 1.00 1.20 N ATOM 67 CA GLU A 5 -13.401 -12.296 -6.693 1.00 1.33 C ATOM 68 C GLU A 5 -13.108 -13.119 -5.438 1.00 1.31 C ATOM 69 O GLU A 5 -13.266 -14.340 -5.433 1.00 1.58 O ATOM 70 CB GLU A 5 -13.733 -13.230 -7.857 1.00 1.56 C ATOM 71 CG GLU A 5 -13.973 -12.504 -9.169 1.00 1.73 C ATOM 72 CD GLU A 5 -14.664 -13.375 -10.197 1.00 1.94 C ATOM 73 OE1 GLU A 5 -14.036 -14.331 -10.697 1.00 2.37 O ATOM 74 OE2 GLU A 5 -15.843 -13.108 -10.515 1.00 2.15 O ATOM 0 H GLU A 5 -11.647 -11.821 -7.748 1.00 1.20 H new ATOM 0 HA GLU A 5 -14.256 -11.655 -6.479 1.00 1.33 H new ATOM 0 HB2 GLU A 5 -12.915 -13.939 -7.988 1.00 1.56 H new ATOM 0 HB3 GLU A 5 -14.621 -13.810 -7.605 1.00 1.56 H new ATOM 0 HG2 GLU A 5 -14.578 -11.617 -8.984 1.00 1.73 H new ATOM 0 HG3 GLU A 5 -13.019 -12.161 -9.570 1.00 1.73 H new ATOM 81 N GLU A 6 -12.694 -12.450 -4.375 1.00 1.20 N ATOM 82 CA GLU A 6 -12.394 -13.132 -3.125 1.00 1.19 C ATOM 83 C GLU A 6 -13.267 -12.592 -1.998 1.00 1.14 C ATOM 84 O GLU A 6 -14.161 -13.281 -1.513 1.00 1.26 O ATOM 85 CB GLU A 6 -10.916 -12.976 -2.759 1.00 1.16 C ATOM 86 CG GLU A 6 -9.964 -13.688 -3.708 1.00 1.41 C ATOM 87 CD GLU A 6 -8.528 -13.654 -3.224 1.00 1.47 C ATOM 88 OE1 GLU A 6 -7.806 -12.684 -3.551 1.00 1.83 O ATOM 89 OE2 GLU A 6 -8.115 -14.592 -2.513 1.00 1.64 O ATOM 0 H GLU A 6 -12.558 -11.439 -4.351 1.00 1.20 H new ATOM 0 HA GLU A 6 -12.608 -14.192 -3.262 1.00 1.19 H new ATOM 0 HB2 GLU A 6 -10.667 -11.915 -2.740 1.00 1.16 H new ATOM 0 HB3 GLU A 6 -10.760 -13.358 -1.750 1.00 1.16 H new ATOM 0 HG2 GLU A 6 -10.280 -14.725 -3.825 1.00 1.41 H new ATOM 0 HG3 GLU A 6 -10.023 -13.224 -4.693 1.00 1.41 H new ATOM 96 N MET A 7 -12.996 -11.351 -1.598 1.00 1.05 N ATOM 97 CA MET A 7 -13.739 -10.685 -0.522 1.00 1.09 C ATOM 98 C MET A 7 -13.626 -11.450 0.796 1.00 1.12 C ATOM 99 O MET A 7 -14.529 -11.402 1.631 1.00 1.32 O ATOM 100 CB MET A 7 -15.213 -10.497 -0.899 1.00 1.22 C ATOM 101 CG MET A 7 -15.451 -9.353 -1.869 1.00 1.44 C ATOM 102 SD MET A 7 -15.700 -9.919 -3.563 1.00 1.75 S ATOM 103 CE MET A 7 -17.385 -10.525 -3.468 1.00 2.16 C ATOM 0 H MET A 7 -12.258 -10.778 -2.007 1.00 1.05 H new ATOM 0 HA MET A 7 -13.289 -9.702 -0.384 1.00 1.09 H new ATOM 0 HB2 MET A 7 -15.587 -11.421 -1.341 1.00 1.22 H new ATOM 0 HB3 MET A 7 -15.792 -10.320 0.008 1.00 1.22 H new ATOM 0 HG2 MET A 7 -16.324 -8.785 -1.548 1.00 1.44 H new ATOM 0 HG3 MET A 7 -14.600 -8.673 -1.839 1.00 1.44 H new ATOM 0 HE1 MET A 7 -17.534 -11.304 -4.215 1.00 2.16 H new ATOM 0 HE2 MET A 7 -17.569 -10.935 -2.475 1.00 2.16 H new ATOM 0 HE3 MET A 7 -18.078 -9.705 -3.656 1.00 2.16 H new ATOM 113 N VAL A 8 -12.513 -12.158 0.974 1.00 1.13 N ATOM 114 CA VAL A 8 -12.271 -12.921 2.191 1.00 1.22 C ATOM 115 C VAL A 8 -10.835 -12.721 2.674 1.00 1.14 C ATOM 116 O VAL A 8 -9.992 -13.609 2.565 1.00 1.34 O ATOM 117 CB VAL A 8 -12.552 -14.433 2.010 1.00 1.45 C ATOM 118 CG1 VAL A 8 -14.018 -14.739 2.274 1.00 1.70 C ATOM 119 CG2 VAL A 8 -12.151 -14.908 0.619 1.00 1.49 C ATOM 0 H VAL A 8 -11.763 -12.218 0.286 1.00 1.13 H new ATOM 0 HA VAL A 8 -12.967 -12.543 2.939 1.00 1.22 H new ATOM 0 HB VAL A 8 -11.946 -14.974 2.737 1.00 1.45 H new ATOM 0 HG11 VAL A 8 -14.196 -15.806 2.142 1.00 1.70 H new ATOM 0 HG12 VAL A 8 -14.271 -14.452 3.295 1.00 1.70 H new ATOM 0 HG13 VAL A 8 -14.638 -14.178 1.575 1.00 1.70 H new ATOM 0 HG21 VAL A 8 -12.361 -15.973 0.524 1.00 1.49 H new ATOM 0 HG22 VAL A 8 -12.719 -14.358 -0.131 1.00 1.49 H new ATOM 0 HG23 VAL A 8 -11.086 -14.733 0.468 1.00 1.49 H new ATOM 129 N GLN A 9 -10.559 -11.520 3.156 1.00 0.97 N ATOM 130 CA GLN A 9 -9.243 -11.170 3.674 1.00 0.93 C ATOM 131 C GLN A 9 -9.344 -10.750 5.147 1.00 0.91 C ATOM 132 O GLN A 9 -10.032 -11.402 5.933 1.00 0.98 O ATOM 133 CB GLN A 9 -8.641 -10.048 2.828 1.00 0.89 C ATOM 134 CG GLN A 9 -8.495 -10.412 1.359 1.00 1.00 C ATOM 135 CD GLN A 9 -7.317 -11.330 1.097 1.00 1.20 C ATOM 136 OE1 GLN A 9 -6.220 -10.871 0.790 1.00 1.49 O ATOM 137 NE2 GLN A 9 -7.532 -12.631 1.219 1.00 1.43 N ATOM 0 H GLN A 9 -11.238 -10.760 3.200 1.00 0.97 H new ATOM 0 HA GLN A 9 -8.590 -12.041 3.617 1.00 0.93 H new ATOM 0 HB2 GLN A 9 -9.269 -9.161 2.914 1.00 0.89 H new ATOM 0 HB3 GLN A 9 -7.662 -9.786 3.229 1.00 0.89 H new ATOM 0 HG2 GLN A 9 -9.410 -10.895 1.016 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -8.377 -9.500 0.773 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -8.458 -12.973 1.476 1.00 1.43 H new ATOM 0 HE22 GLN A 9 -6.772 -13.291 1.056 1.00 1.43 H new ATOM 146 N THR A 10 -8.672 -9.661 5.513 1.00 0.91 N ATOM 147 CA THR A 10 -8.696 -9.164 6.888 1.00 0.91 C ATOM 148 C THR A 10 -10.038 -8.494 7.204 1.00 0.88 C ATOM 149 O THR A 10 -10.485 -7.613 6.473 1.00 0.82 O ATOM 150 CB THR A 10 -7.557 -8.153 7.123 1.00 0.89 C ATOM 151 OG1 THR A 10 -6.314 -8.688 6.643 1.00 0.98 O ATOM 152 CG2 THR A 10 -7.429 -7.813 8.601 1.00 0.96 C ATOM 0 H THR A 10 -8.103 -9.104 4.876 1.00 0.91 H new ATOM 0 HA THR A 10 -8.560 -10.020 7.549 1.00 0.91 H new ATOM 0 HB THR A 10 -7.795 -7.242 6.575 1.00 0.89 H new ATOM 0 HG1 THR A 10 -5.597 -8.037 6.795 1.00 0.98 H new ATOM 0 HG21 THR A 10 -6.618 -7.098 8.741 1.00 0.96 H new ATOM 0 HG22 THR A 10 -8.363 -7.377 8.956 1.00 0.96 H new ATOM 0 HG23 THR A 10 -7.214 -8.720 9.166 1.00 0.96 H new ATOM 160 N GLU A 11 -10.672 -8.910 8.294 1.00 0.99 N ATOM 161 CA GLU A 11 -11.963 -8.358 8.690 1.00 1.04 C ATOM 162 C GLU A 11 -11.802 -7.360 9.834 1.00 1.02 C ATOM 163 O GLU A 11 -10.873 -7.475 10.634 1.00 1.03 O ATOM 164 CB GLU A 11 -12.896 -9.491 9.119 1.00 1.19 C ATOM 165 CG GLU A 11 -14.360 -9.090 9.213 1.00 1.29 C ATOM 166 CD GLU A 11 -15.251 -10.229 9.663 1.00 1.51 C ATOM 167 OE1 GLU A 11 -15.709 -11.006 8.804 1.00 1.58 O ATOM 168 OE2 GLU A 11 -15.505 -10.348 10.879 1.00 1.89 O ATOM 0 H GLU A 11 -10.312 -9.630 8.921 1.00 0.99 H new ATOM 0 HA GLU A 11 -12.391 -7.834 7.836 1.00 1.04 H new ATOM 0 HB2 GLU A 11 -12.801 -10.313 8.410 1.00 1.19 H new ATOM 0 HB3 GLU A 11 -12.571 -9.867 10.089 1.00 1.19 H new ATOM 0 HG2 GLU A 11 -14.460 -8.258 9.910 1.00 1.29 H new ATOM 0 HG3 GLU A 11 -14.698 -8.733 8.240 1.00 1.29 H new ATOM 175 N GLU A 12 -12.706 -6.389 9.900 1.00 1.07 N ATOM 176 CA GLU A 12 -12.678 -5.375 10.949 1.00 1.10 C ATOM 177 C GLU A 12 -14.053 -5.278 11.615 1.00 1.22 C ATOM 178 O GLU A 12 -14.353 -6.023 12.545 1.00 1.54 O ATOM 179 CB GLU A 12 -12.257 -4.015 10.367 1.00 1.07 C ATOM 180 CG GLU A 12 -12.220 -2.883 11.385 1.00 1.18 C ATOM 181 CD GLU A 12 -12.950 -1.647 10.897 1.00 1.74 C ATOM 182 OE1 GLU A 12 -14.116 -1.773 10.458 1.00 2.22 O ATOM 183 OE2 GLU A 12 -12.362 -0.546 10.952 1.00 2.23 O ATOM 0 H GLU A 12 -13.472 -6.282 9.235 1.00 1.07 H new ATOM 0 HA GLU A 12 -11.945 -5.663 11.703 1.00 1.10 H new ATOM 0 HB2 GLU A 12 -11.270 -4.116 9.917 1.00 1.07 H new ATOM 0 HB3 GLU A 12 -12.946 -3.746 9.567 1.00 1.07 H new ATOM 0 HG2 GLU A 12 -12.668 -3.222 12.319 1.00 1.18 H new ATOM 0 HG3 GLU A 12 -11.183 -2.627 11.604 1.00 1.18 H new ATOM 190 N MET A 13 -14.884 -4.364 11.127 1.00 1.20 N ATOM 191 CA MET A 13 -16.225 -4.171 11.658 1.00 1.31 C ATOM 192 C MET A 13 -17.203 -4.036 10.502 1.00 1.28 C ATOM 193 O MET A 13 -18.122 -4.842 10.349 1.00 1.46 O ATOM 194 CB MET A 13 -16.267 -2.920 12.540 1.00 1.40 C ATOM 195 CG MET A 13 -17.309 -2.979 13.644 1.00 1.63 C ATOM 196 SD MET A 13 -17.329 -1.485 14.658 1.00 1.83 S ATOM 197 CE MET A 13 -15.594 -1.332 15.073 1.00 2.25 C ATOM 0 H MET A 13 -14.647 -3.740 10.356 1.00 1.20 H new ATOM 0 HA MET A 13 -16.504 -5.030 12.268 1.00 1.31 H new ATOM 0 HB2 MET A 13 -15.285 -2.771 12.989 1.00 1.40 H new ATOM 0 HB3 MET A 13 -16.466 -2.051 11.912 1.00 1.40 H new ATOM 0 HG2 MET A 13 -18.294 -3.127 13.202 1.00 1.63 H new ATOM 0 HG3 MET A 13 -17.112 -3.843 14.279 1.00 1.63 H new ATOM 0 HE1 MET A 13 -15.487 -0.728 15.974 1.00 2.25 H new ATOM 0 HE2 MET A 13 -15.173 -2.322 15.248 1.00 2.25 H new ATOM 0 HE3 MET A 13 -15.064 -0.852 14.250 1.00 2.25 H new ATOM 207 N GLU A 14 -16.990 -3.014 9.679 1.00 1.19 N ATOM 208 CA GLU A 14 -17.835 -2.785 8.516 1.00 1.18 C ATOM 209 C GLU A 14 -17.213 -3.455 7.299 1.00 1.09 C ATOM 210 O GLU A 14 -17.919 -3.929 6.411 1.00 1.18 O ATOM 211 CB GLU A 14 -18.019 -1.288 8.251 1.00 1.19 C ATOM 212 CG GLU A 14 -18.913 -0.987 7.051 1.00 1.29 C ATOM 213 CD GLU A 14 -18.848 0.461 6.617 1.00 1.54 C ATOM 214 OE1 GLU A 14 -19.146 1.344 7.444 1.00 2.13 O ATOM 215 OE2 GLU A 14 -18.493 0.725 5.447 1.00 2.02 O ATOM 0 H GLU A 14 -16.240 -2.333 9.797 1.00 1.19 H new ATOM 0 HA GLU A 14 -18.817 -3.215 8.712 1.00 1.18 H new ATOM 0 HB2 GLU A 14 -18.446 -0.820 9.138 1.00 1.19 H new ATOM 0 HB3 GLU A 14 -17.042 -0.833 8.089 1.00 1.19 H new ATOM 0 HG2 GLU A 14 -18.620 -1.625 6.217 1.00 1.29 H new ATOM 0 HG3 GLU A 14 -19.944 -1.241 7.299 1.00 1.29 H new ATOM 222 N THR A 15 -15.888 -3.482 7.268 1.00 0.98 N ATOM 223 CA THR A 15 -15.158 -4.101 6.177 1.00 0.90 C ATOM 224 C THR A 15 -15.297 -5.618 6.243 1.00 0.94 C ATOM 225 O THR A 15 -14.800 -6.256 7.179 1.00 0.98 O ATOM 226 CB THR A 15 -13.671 -3.718 6.234 1.00 0.84 C ATOM 227 OG1 THR A 15 -13.427 -2.937 7.414 1.00 0.83 O ATOM 228 CG2 THR A 15 -13.269 -2.928 4.999 1.00 0.91 C ATOM 0 H THR A 15 -15.295 -3.078 7.993 1.00 0.98 H new ATOM 0 HA THR A 15 -15.579 -3.741 5.238 1.00 0.90 H new ATOM 0 HB THR A 15 -13.074 -4.629 6.265 1.00 0.84 H new ATOM 0 HG1 THR A 15 -12.688 -2.315 7.248 1.00 0.83 H new ATOM 0 HG21 THR A 15 -12.212 -2.668 5.061 1.00 0.91 H new ATOM 0 HG22 THR A 15 -13.442 -3.532 4.108 1.00 0.91 H new ATOM 0 HG23 THR A 15 -13.864 -2.017 4.940 1.00 0.91 H new ATOM 236 N PRO A 16 -15.967 -6.216 5.248 1.00 0.97 N ATOM 237 CA PRO A 16 -16.195 -7.656 5.204 1.00 1.04 C ATOM 238 C PRO A 16 -14.994 -8.415 4.660 1.00 0.96 C ATOM 239 O PRO A 16 -15.033 -8.950 3.551 1.00 0.96 O ATOM 240 CB PRO A 16 -17.387 -7.777 4.262 1.00 1.12 C ATOM 241 CG PRO A 16 -17.211 -6.649 3.302 1.00 1.07 C ATOM 242 CD PRO A 16 -16.542 -5.536 4.072 1.00 0.98 C ATOM 0 HA PRO A 16 -16.366 -8.083 6.192 1.00 1.04 H new ATOM 0 HB2 PRO A 16 -17.393 -8.739 3.749 1.00 1.12 H new ATOM 0 HB3 PRO A 16 -18.331 -7.697 4.802 1.00 1.12 H new ATOM 0 HG2 PRO A 16 -16.601 -6.954 2.452 1.00 1.07 H new ATOM 0 HG3 PRO A 16 -18.172 -6.323 2.905 1.00 1.07 H new ATOM 0 HD2 PRO A 16 -15.771 -5.046 3.477 1.00 0.98 H new ATOM 0 HD3 PRO A 16 -17.257 -4.767 4.365 1.00 0.98 H new ATOM 250 N ARG A 17 -13.923 -8.436 5.448 1.00 0.95 N ATOM 251 CA ARG A 17 -12.696 -9.133 5.076 1.00 0.92 C ATOM 252 C ARG A 17 -12.093 -8.522 3.814 1.00 0.82 C ATOM 253 O ARG A 17 -12.007 -9.166 2.766 1.00 0.83 O ATOM 254 CB ARG A 17 -12.986 -10.625 4.895 1.00 1.01 C ATOM 255 CG ARG A 17 -13.409 -11.298 6.184 1.00 1.13 C ATOM 256 CD ARG A 17 -14.342 -12.467 5.945 1.00 1.19 C ATOM 257 NE ARG A 17 -14.832 -13.004 7.208 1.00 1.38 N ATOM 258 CZ ARG A 17 -14.541 -14.213 7.672 1.00 1.67 C ATOM 259 NH1 ARG A 17 -13.749 -15.027 6.982 1.00 1.84 N ATOM 260 NH2 ARG A 17 -15.017 -14.595 8.848 1.00 1.94 N ATOM 0 H ARG A 17 -13.881 -7.974 6.356 1.00 0.95 H new ATOM 0 HA ARG A 17 -11.962 -9.021 5.874 1.00 0.92 H new ATOM 0 HB2 ARG A 17 -13.771 -10.751 4.150 1.00 1.01 H new ATOM 0 HB3 ARG A 17 -12.096 -11.120 4.507 1.00 1.01 H new ATOM 0 HG2 ARG A 17 -12.524 -11.646 6.717 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -13.902 -10.569 6.827 1.00 1.13 H new ATOM 0 HD2 ARG A 17 -15.183 -12.147 5.330 1.00 1.19 H new ATOM 0 HD3 ARG A 17 -13.820 -13.247 5.391 1.00 1.19 H new ATOM 0 HE ARG A 17 -15.439 -12.411 7.773 1.00 1.38 H new ATOM 0 HH11 ARG A 17 -13.360 -14.724 6.089 1.00 1.84 H new ATOM 0 HH12 ARG A 17 -13.530 -15.955 7.345 1.00 1.84 H new ATOM 0 HH21 ARG A 17 -15.603 -13.961 9.391 1.00 1.94 H new ATOM 0 HH22 ARG A 17 -14.797 -15.523 9.210 1.00 1.94 H new ATOM 274 N LEU A 18 -11.646 -7.281 3.940 1.00 0.75 N ATOM 275 CA LEU A 18 -11.077 -6.547 2.824 1.00 0.67 C ATOM 276 C LEU A 18 -9.708 -5.965 3.174 1.00 0.63 C ATOM 277 O LEU A 18 -9.605 -5.062 4.004 1.00 0.66 O ATOM 278 CB LEU A 18 -12.026 -5.407 2.434 1.00 0.65 C ATOM 279 CG LEU A 18 -12.735 -5.551 1.087 1.00 0.64 C ATOM 280 CD1 LEU A 18 -13.584 -6.812 1.051 1.00 0.78 C ATOM 281 CD2 LEU A 18 -13.594 -4.328 0.812 1.00 0.66 C ATOM 0 H LEU A 18 -11.668 -6.758 4.816 1.00 0.75 H new ATOM 0 HA LEU A 18 -10.948 -7.239 1.992 1.00 0.67 H new ATOM 0 HB2 LEU A 18 -12.784 -5.311 3.212 1.00 0.65 H new ATOM 0 HB3 LEU A 18 -11.458 -4.476 2.425 1.00 0.65 H new ATOM 0 HG LEU A 18 -11.976 -5.631 0.309 1.00 0.64 H new ATOM 0 HD11 LEU A 18 -14.078 -6.891 0.082 1.00 0.78 H new ATOM 0 HD12 LEU A 18 -12.948 -7.683 1.206 1.00 0.78 H new ATOM 0 HD13 LEU A 18 -14.336 -6.767 1.839 1.00 0.78 H new ATOM 0 HD21 LEU A 18 -14.093 -4.443 -0.150 1.00 0.66 H new ATOM 0 HD22 LEU A 18 -14.341 -4.224 1.599 1.00 0.66 H new ATOM 0 HD23 LEU A 18 -12.964 -3.439 0.790 1.00 0.66 H new ATOM 293 N SER A 19 -8.660 -6.492 2.555 1.00 0.63 N ATOM 294 CA SER A 19 -7.311 -5.989 2.774 1.00 0.64 C ATOM 295 C SER A 19 -6.627 -5.769 1.428 1.00 0.61 C ATOM 296 O SER A 19 -6.793 -6.557 0.495 1.00 0.70 O ATOM 297 CB SER A 19 -6.495 -6.932 3.667 1.00 0.77 C ATOM 298 OG SER A 19 -6.246 -8.174 3.038 1.00 1.44 O ATOM 0 H SER A 19 -8.719 -7.269 1.896 1.00 0.63 H new ATOM 0 HA SER A 19 -7.374 -5.036 3.300 1.00 0.64 H new ATOM 0 HB2 SER A 19 -5.547 -6.459 3.923 1.00 0.77 H new ATOM 0 HB3 SER A 19 -7.030 -7.100 4.602 1.00 0.77 H new ATOM 0 HG SER A 19 -5.338 -8.474 3.254 1.00 1.44 H new ATOM 304 N VAL A 20 -5.873 -4.692 1.328 1.00 0.55 N ATOM 305 CA VAL A 20 -5.197 -4.342 0.095 1.00 0.56 C ATOM 306 C VAL A 20 -3.724 -4.745 0.125 1.00 0.67 C ATOM 307 O VAL A 20 -3.103 -4.806 1.191 1.00 0.73 O ATOM 308 CB VAL A 20 -5.306 -2.823 -0.157 1.00 0.49 C ATOM 309 CG1 VAL A 20 -4.443 -2.059 0.834 1.00 0.55 C ATOM 310 CG2 VAL A 20 -4.926 -2.472 -1.589 1.00 0.53 C ATOM 0 H VAL A 20 -5.712 -4.038 2.094 1.00 0.55 H new ATOM 0 HA VAL A 20 -5.685 -4.888 -0.712 1.00 0.56 H new ATOM 0 HB VAL A 20 -6.345 -2.529 -0.010 1.00 0.49 H new ATOM 0 HG11 VAL A 20 -4.530 -0.989 0.644 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -4.776 -2.275 1.849 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -3.403 -2.364 0.721 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -5.013 -1.395 -1.735 1.00 0.53 H new ATOM 0 HG22 VAL A 20 -3.899 -2.782 -1.779 1.00 0.53 H new ATOM 0 HG23 VAL A 20 -5.594 -2.987 -2.279 1.00 0.53 H new ATOM 320 N ILE A 21 -3.180 -5.031 -1.049 1.00 0.73 N ATOM 321 CA ILE A 21 -1.782 -5.391 -1.172 1.00 0.86 C ATOM 322 C ILE A 21 -0.955 -4.137 -1.435 1.00 0.87 C ATOM 323 O ILE A 21 -0.950 -3.607 -2.548 1.00 0.88 O ATOM 324 CB ILE A 21 -1.542 -6.414 -2.309 1.00 0.96 C ATOM 325 CG1 ILE A 21 -2.086 -7.790 -1.921 1.00 0.98 C ATOM 326 CG2 ILE A 21 -0.060 -6.507 -2.652 1.00 1.11 C ATOM 327 CD1 ILE A 21 -1.882 -8.846 -2.990 1.00 1.10 C ATOM 0 H ILE A 21 -3.691 -5.019 -1.931 1.00 0.73 H new ATOM 0 HA ILE A 21 -1.477 -5.858 -0.236 1.00 0.86 H new ATOM 0 HB ILE A 21 -2.077 -6.067 -3.193 1.00 0.96 H new ATOM 0 HG12 ILE A 21 -1.601 -8.117 -1.001 1.00 0.98 H new ATOM 0 HG13 ILE A 21 -3.151 -7.703 -1.706 1.00 0.98 H new ATOM 0 HG21 ILE A 21 0.083 -7.232 -3.453 1.00 1.11 H new ATOM 0 HG22 ILE A 21 0.300 -5.531 -2.977 1.00 1.11 H new ATOM 0 HG23 ILE A 21 0.498 -6.825 -1.771 1.00 1.11 H new ATOM 0 HD11 ILE A 21 -2.292 -9.796 -2.646 1.00 1.10 H new ATOM 0 HD12 ILE A 21 -2.391 -8.541 -3.905 1.00 1.10 H new ATOM 0 HD13 ILE A 21 -0.817 -8.961 -3.189 1.00 1.10 H new ATOM 339 N VAL A 22 -0.302 -3.643 -0.395 1.00 0.89 N ATOM 340 CA VAL A 22 0.542 -2.465 -0.515 1.00 0.93 C ATOM 341 C VAL A 22 1.948 -2.891 -0.900 1.00 1.07 C ATOM 342 O VAL A 22 2.620 -3.595 -0.142 1.00 1.15 O ATOM 343 CB VAL A 22 0.598 -1.659 0.801 1.00 0.92 C ATOM 344 CG1 VAL A 22 1.251 -0.306 0.567 1.00 0.97 C ATOM 345 CG2 VAL A 22 -0.792 -1.490 1.399 1.00 0.80 C ATOM 0 H VAL A 22 -0.341 -4.041 0.544 1.00 0.89 H new ATOM 0 HA VAL A 22 0.111 -1.823 -1.284 1.00 0.93 H new ATOM 0 HB VAL A 22 1.203 -2.217 1.515 1.00 0.92 H new ATOM 0 HG11 VAL A 22 1.283 0.250 1.504 1.00 0.97 H new ATOM 0 HG12 VAL A 22 2.266 -0.451 0.197 1.00 0.97 H new ATOM 0 HG13 VAL A 22 0.673 0.255 -0.168 1.00 0.97 H new ATOM 0 HG21 VAL A 22 -0.723 -0.919 2.325 1.00 0.80 H new ATOM 0 HG22 VAL A 22 -1.430 -0.960 0.692 1.00 0.80 H new ATOM 0 HG23 VAL A 22 -1.220 -2.470 1.609 1.00 0.80 H new ATOM 355 N THR A 23 2.386 -2.488 -2.078 1.00 1.12 N ATOM 356 CA THR A 23 3.705 -2.854 -2.551 1.00 1.26 C ATOM 357 C THR A 23 4.554 -1.621 -2.856 1.00 1.32 C ATOM 358 O THR A 23 4.046 -0.575 -3.273 1.00 1.28 O ATOM 359 CB THR A 23 3.617 -3.770 -3.795 1.00 1.33 C ATOM 360 OG1 THR A 23 4.927 -4.167 -4.219 1.00 1.89 O ATOM 361 CG2 THR A 23 2.894 -3.084 -4.946 1.00 1.63 C ATOM 0 H THR A 23 1.848 -1.909 -2.723 1.00 1.12 H new ATOM 0 HA THR A 23 4.193 -3.408 -1.749 1.00 1.26 H new ATOM 0 HB THR A 23 3.045 -4.653 -3.509 1.00 1.33 H new ATOM 0 HG1 THR A 23 4.854 -4.747 -5.005 1.00 1.89 H new ATOM 0 HG21 THR A 23 2.852 -3.757 -5.802 1.00 1.63 H new ATOM 0 HG22 THR A 23 1.881 -2.826 -4.637 1.00 1.63 H new ATOM 0 HG23 THR A 23 3.431 -2.177 -5.224 1.00 1.63 H new ATOM 369 N HIS A 24 5.847 -1.756 -2.608 1.00 1.45 N ATOM 370 CA HIS A 24 6.814 -0.693 -2.843 1.00 1.54 C ATOM 371 C HIS A 24 8.104 -1.316 -3.359 1.00 1.61 C ATOM 372 O HIS A 24 8.991 -1.651 -2.570 1.00 1.63 O ATOM 373 CB HIS A 24 7.067 0.100 -1.546 1.00 1.58 C ATOM 374 CG HIS A 24 8.250 1.031 -1.586 1.00 1.68 C ATOM 375 ND1 HIS A 24 9.198 1.070 -0.586 1.00 1.78 N ATOM 376 CD2 HIS A 24 8.634 1.957 -2.498 1.00 1.75 C ATOM 377 CE1 HIS A 24 10.111 1.974 -0.877 1.00 1.88 C ATOM 378 NE2 HIS A 24 9.795 2.528 -2.033 1.00 1.86 N ATOM 0 H HIS A 24 6.259 -2.612 -2.235 1.00 1.45 H new ATOM 0 HA HIS A 24 6.426 0.005 -3.585 1.00 1.54 H new ATOM 0 HB2 HIS A 24 6.175 0.681 -1.314 1.00 1.58 H new ATOM 0 HB3 HIS A 24 7.208 -0.607 -0.728 1.00 1.58 H new ATOM 0 HD1 HIS A 24 9.193 0.488 0.251 1.00 1.78 H new ATOM 0 HD2 HIS A 24 8.123 2.201 -3.418 1.00 1.75 H new ATOM 0 HE1 HIS A 24 10.972 2.220 -0.273 1.00 1.88 H new ATOM 387 N SER A 25 8.173 -1.503 -4.682 1.00 1.68 N ATOM 388 CA SER A 25 9.335 -2.105 -5.344 1.00 1.77 C ATOM 389 C SER A 25 9.430 -3.601 -5.016 1.00 1.80 C ATOM 390 O SER A 25 9.369 -4.446 -5.908 1.00 1.90 O ATOM 391 CB SER A 25 10.620 -1.366 -4.956 1.00 1.78 C ATOM 392 OG SER A 25 10.453 0.039 -5.091 1.00 1.90 O ATOM 0 H SER A 25 7.425 -1.241 -5.324 1.00 1.68 H new ATOM 0 HA SER A 25 9.208 -2.009 -6.422 1.00 1.77 H new ATOM 0 HB2 SER A 25 10.888 -1.608 -3.928 1.00 1.78 H new ATOM 0 HB3 SER A 25 11.443 -1.702 -5.587 1.00 1.78 H new ATOM 0 HG SER A 25 11.284 0.493 -4.837 1.00 1.90 H new ATOM 398 N ASN A 26 9.582 -3.915 -3.740 1.00 1.77 N ATOM 399 CA ASN A 26 9.655 -5.297 -3.282 1.00 1.82 C ATOM 400 C ASN A 26 8.979 -5.419 -1.913 1.00 1.75 C ATOM 401 O ASN A 26 8.777 -6.518 -1.395 1.00 1.87 O ATOM 402 CB ASN A 26 11.117 -5.760 -3.203 1.00 1.95 C ATOM 403 CG ASN A 26 11.281 -7.255 -3.422 1.00 2.06 C ATOM 404 OD1 ASN A 26 10.401 -8.048 -3.093 1.00 2.28 O ATOM 405 ND2 ASN A 26 12.417 -7.651 -3.979 1.00 2.32 N ATOM 0 H ASN A 26 9.658 -3.224 -2.994 1.00 1.77 H new ATOM 0 HA ASN A 26 9.135 -5.937 -3.995 1.00 1.82 H new ATOM 0 HB2 ASN A 26 11.703 -5.223 -3.949 1.00 1.95 H new ATOM 0 HB3 ASN A 26 11.524 -5.495 -2.227 1.00 1.95 H new ATOM 0 HD21 ASN A 26 12.584 -8.643 -4.148 1.00 2.32 H new ATOM 0 HD22 ASN A 26 13.124 -6.964 -4.239 1.00 2.32 H new ATOM 412 N GLU A 27 8.623 -4.270 -1.342 1.00 1.66 N ATOM 413 CA GLU A 27 7.971 -4.211 -0.037 1.00 1.60 C ATOM 414 C GLU A 27 6.552 -4.763 -0.118 1.00 1.47 C ATOM 415 O GLU A 27 5.820 -4.456 -1.058 1.00 1.48 O ATOM 416 CB GLU A 27 7.929 -2.760 0.438 1.00 1.63 C ATOM 417 CG GLU A 27 8.144 -2.581 1.927 1.00 1.89 C ATOM 418 CD GLU A 27 8.226 -1.121 2.319 1.00 1.91 C ATOM 419 OE1 GLU A 27 8.877 -0.340 1.592 1.00 2.14 O ATOM 420 OE2 GLU A 27 7.638 -0.741 3.353 1.00 2.24 O ATOM 0 H GLU A 27 8.778 -3.357 -1.770 1.00 1.66 H new ATOM 0 HA GLU A 27 8.538 -4.818 0.668 1.00 1.60 H new ATOM 0 HB2 GLU A 27 8.691 -2.193 -0.097 1.00 1.63 H new ATOM 0 HB3 GLU A 27 6.964 -2.330 0.169 1.00 1.63 H new ATOM 0 HG2 GLU A 27 7.328 -3.057 2.470 1.00 1.89 H new ATOM 0 HG3 GLU A 27 9.062 -3.088 2.224 1.00 1.89 H new ATOM 427 N ARG A 28 6.160 -5.564 0.865 1.00 1.44 N ATOM 428 CA ARG A 28 4.823 -6.139 0.879 1.00 1.33 C ATOM 429 C ARG A 28 4.156 -5.947 2.233 1.00 1.28 C ATOM 430 O ARG A 28 4.558 -6.550 3.228 1.00 1.36 O ATOM 431 CB ARG A 28 4.868 -7.628 0.536 1.00 1.41 C ATOM 432 CG ARG A 28 3.951 -8.010 -0.617 1.00 1.45 C ATOM 433 CD ARG A 28 2.502 -7.633 -0.344 1.00 1.48 C ATOM 434 NE ARG A 28 1.772 -8.692 0.350 1.00 1.48 N ATOM 435 CZ ARG A 28 0.591 -8.522 0.954 1.00 1.51 C ATOM 436 NH1 ARG A 28 0.025 -7.324 1.004 1.00 1.47 N ATOM 437 NH2 ARG A 28 -0.030 -9.549 1.512 1.00 1.92 N ATOM 0 H ARG A 28 6.745 -5.828 1.658 1.00 1.44 H new ATOM 0 HA ARG A 28 4.236 -5.617 0.123 1.00 1.33 H new ATOM 0 HB2 ARG A 28 5.892 -7.904 0.283 1.00 1.41 H new ATOM 0 HB3 ARG A 28 4.590 -8.205 1.418 1.00 1.41 H new ATOM 0 HG2 ARG A 28 4.289 -7.515 -1.528 1.00 1.45 H new ATOM 0 HG3 ARG A 28 4.019 -9.083 -0.794 1.00 1.45 H new ATOM 0 HD2 ARG A 28 2.473 -6.723 0.255 1.00 1.48 H new ATOM 0 HD3 ARG A 28 2.004 -7.410 -1.287 1.00 1.48 H new ATOM 0 HE ARG A 28 2.191 -9.622 0.375 1.00 1.48 H new ATOM 0 HH11 ARG A 28 0.491 -6.522 0.579 1.00 1.47 H new ATOM 0 HH12 ARG A 28 -0.876 -7.205 1.467 1.00 1.47 H new ATOM 0 HH21 ARG A 28 0.392 -10.477 1.483 1.00 1.92 H new ATOM 0 HH22 ARG A 28 -0.931 -9.412 1.971 1.00 1.92 H new ATOM 451 N TYR A 29 3.142 -5.100 2.257 1.00 1.17 N ATOM 452 CA TYR A 29 2.393 -4.828 3.475 1.00 1.13 C ATOM 453 C TYR A 29 0.905 -5.027 3.227 1.00 1.01 C ATOM 454 O TYR A 29 0.396 -4.672 2.162 1.00 1.00 O ATOM 455 CB TYR A 29 2.656 -3.401 3.965 1.00 1.13 C ATOM 456 CG TYR A 29 3.744 -3.305 5.012 1.00 1.30 C ATOM 457 CD1 TYR A 29 3.445 -3.446 6.360 1.00 1.52 C ATOM 458 CD2 TYR A 29 5.066 -3.066 4.654 1.00 1.60 C ATOM 459 CE1 TYR A 29 4.430 -3.353 7.325 1.00 1.82 C ATOM 460 CE2 TYR A 29 6.059 -2.971 5.614 1.00 1.88 C ATOM 461 CZ TYR A 29 5.734 -3.115 6.948 1.00 1.91 C ATOM 462 OH TYR A 29 6.719 -3.022 7.908 1.00 2.29 O ATOM 0 H TYR A 29 2.815 -4.584 1.440 1.00 1.17 H new ATOM 0 HA TYR A 29 2.724 -5.524 4.246 1.00 1.13 H new ATOM 0 HB2 TYR A 29 2.929 -2.779 3.113 1.00 1.13 H new ATOM 0 HB3 TYR A 29 1.733 -2.992 4.375 1.00 1.13 H new ATOM 0 HD1 TYR A 29 2.424 -3.632 6.660 1.00 1.52 H new ATOM 0 HD2 TYR A 29 5.322 -2.953 3.611 1.00 1.60 H new ATOM 0 HE1 TYR A 29 4.179 -3.466 8.369 1.00 1.82 H new ATOM 0 HE2 TYR A 29 7.082 -2.785 5.321 1.00 1.88 H new ATOM 0 HH TYR A 29 7.582 -2.853 7.476 1.00 2.29 H new ATOM 472 N ASP A 30 0.217 -5.614 4.194 1.00 0.98 N ATOM 473 CA ASP A 30 -1.219 -5.850 4.076 1.00 0.90 C ATOM 474 C ASP A 30 -1.979 -4.832 4.918 1.00 0.84 C ATOM 475 O ASP A 30 -1.825 -4.781 6.138 1.00 0.96 O ATOM 476 CB ASP A 30 -1.569 -7.274 4.519 1.00 0.97 C ATOM 477 CG ASP A 30 -2.539 -7.960 3.573 1.00 1.07 C ATOM 478 OD1 ASP A 30 -2.227 -8.052 2.367 1.00 1.28 O ATOM 479 OD2 ASP A 30 -3.603 -8.430 4.038 1.00 1.34 O ATOM 0 H ASP A 30 0.627 -5.937 5.070 1.00 0.98 H new ATOM 0 HA ASP A 30 -1.509 -5.737 3.031 1.00 0.90 H new ATOM 0 HB2 ASP A 30 -0.655 -7.864 4.587 1.00 0.97 H new ATOM 0 HB3 ASP A 30 -2.003 -7.243 5.518 1.00 0.97 H new ATOM 484 N LEU A 31 -2.787 -4.012 4.263 1.00 0.71 N ATOM 485 CA LEU A 31 -3.544 -2.980 4.960 1.00 0.66 C ATOM 486 C LEU A 31 -5.041 -3.188 4.776 1.00 0.58 C ATOM 487 O LEU A 31 -5.499 -3.503 3.682 1.00 0.59 O ATOM 488 CB LEU A 31 -3.137 -1.593 4.442 1.00 0.66 C ATOM 489 CG LEU A 31 -2.933 -0.510 5.512 1.00 0.77 C ATOM 490 CD1 LEU A 31 -4.267 -0.028 6.057 1.00 0.95 C ATOM 491 CD2 LEU A 31 -2.050 -1.024 6.638 1.00 0.98 C ATOM 0 H LEU A 31 -2.936 -4.040 3.254 1.00 0.71 H new ATOM 0 HA LEU A 31 -3.318 -3.047 6.024 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -2.211 -1.695 3.875 1.00 0.66 H new ATOM 0 HB3 LEU A 31 -3.901 -1.248 3.745 1.00 0.66 H new ATOM 0 HG LEU A 31 -2.432 0.336 5.043 1.00 0.77 H new ATOM 0 HD11 LEU A 31 -4.096 0.738 6.813 1.00 0.95 H new ATOM 0 HD12 LEU A 31 -4.862 0.390 5.245 1.00 0.95 H new ATOM 0 HD13 LEU A 31 -4.801 -0.866 6.505 1.00 0.95 H new ATOM 0 HD21 LEU A 31 -1.919 -0.240 7.384 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -2.520 -1.892 7.101 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -1.077 -1.309 6.237 1.00 0.98 H new ATOM 503 N LEU A 32 -5.793 -3.024 5.854 1.00 0.55 N ATOM 504 CA LEU A 32 -7.239 -3.175 5.809 1.00 0.52 C ATOM 505 C LEU A 32 -7.869 -1.995 5.078 1.00 0.43 C ATOM 506 O LEU A 32 -7.426 -0.858 5.228 1.00 0.43 O ATOM 507 CB LEU A 32 -7.805 -3.279 7.228 1.00 0.60 C ATOM 508 CG LEU A 32 -9.328 -3.265 7.320 1.00 0.73 C ATOM 509 CD1 LEU A 32 -9.867 -4.665 7.558 1.00 0.94 C ATOM 510 CD2 LEU A 32 -9.782 -2.319 8.419 1.00 0.85 C ATOM 0 H LEU A 32 -5.423 -2.785 6.774 1.00 0.55 H new ATOM 0 HA LEU A 32 -7.478 -4.091 5.268 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -7.437 -4.199 7.683 1.00 0.60 H new ATOM 0 HB3 LEU A 32 -7.413 -2.452 7.820 1.00 0.60 H new ATOM 0 HG LEU A 32 -9.727 -2.908 6.371 1.00 0.73 H new ATOM 0 HD11 LEU A 32 -10.955 -4.630 7.620 1.00 0.94 H new ATOM 0 HD12 LEU A 32 -9.571 -5.314 6.734 1.00 0.94 H new ATOM 0 HD13 LEU A 32 -9.463 -5.057 8.491 1.00 0.94 H new ATOM 0 HD21 LEU A 32 -10.871 -2.320 8.473 1.00 0.85 H new ATOM 0 HD22 LEU A 32 -9.371 -2.647 9.374 1.00 0.85 H new ATOM 0 HD23 LEU A 32 -9.430 -1.311 8.200 1.00 0.85 H new ATOM 522 N VAL A 33 -8.894 -2.278 4.283 1.00 0.41 N ATOM 523 CA VAL A 33 -9.588 -1.244 3.529 1.00 0.36 C ATOM 524 C VAL A 33 -10.327 -0.300 4.469 1.00 0.41 C ATOM 525 O VAL A 33 -10.875 -0.730 5.485 1.00 0.51 O ATOM 526 CB VAL A 33 -10.583 -1.865 2.525 1.00 0.39 C ATOM 527 CG1 VAL A 33 -11.424 -0.802 1.832 1.00 0.49 C ATOM 528 CG2 VAL A 33 -9.835 -2.690 1.500 1.00 0.56 C ATOM 0 H VAL A 33 -9.263 -3.219 4.144 1.00 0.41 H new ATOM 0 HA VAL A 33 -8.840 -0.679 2.973 1.00 0.36 H new ATOM 0 HB VAL A 33 -11.262 -2.509 3.084 1.00 0.39 H new ATOM 0 HG11 VAL A 33 -12.111 -1.280 1.134 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -11.992 -0.245 2.577 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -10.771 -0.119 1.288 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -10.544 -3.125 0.795 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -9.133 -2.053 0.962 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -9.289 -3.488 2.003 1.00 0.56 H new ATOM 538 N THR A 34 -10.336 0.978 4.128 1.00 0.39 N ATOM 539 CA THR A 34 -11.000 1.984 4.938 1.00 0.48 C ATOM 540 C THR A 34 -12.515 1.937 4.730 1.00 0.59 C ATOM 541 O THR A 34 -13.017 2.257 3.648 1.00 0.65 O ATOM 542 CB THR A 34 -10.475 3.389 4.601 1.00 0.51 C ATOM 543 OG1 THR A 34 -9.146 3.294 4.070 1.00 0.49 O ATOM 544 CG2 THR A 34 -10.469 4.282 5.834 1.00 0.64 C ATOM 0 H THR A 34 -9.887 1.345 3.289 1.00 0.39 H new ATOM 0 HA THR A 34 -10.781 1.766 5.983 1.00 0.48 H new ATOM 0 HB THR A 34 -11.139 3.832 3.859 1.00 0.51 H new ATOM 0 HG1 THR A 34 -9.182 2.931 3.161 1.00 0.49 H new ATOM 0 HG21 THR A 34 -10.093 5.269 5.566 1.00 0.64 H new ATOM 0 HG22 THR A 34 -11.483 4.373 6.222 1.00 0.64 H new ATOM 0 HG23 THR A 34 -9.826 3.844 6.597 1.00 0.64 H new ATOM 552 N PRO A 35 -13.262 1.532 5.770 1.00 0.73 N ATOM 553 CA PRO A 35 -14.717 1.427 5.714 1.00 0.89 C ATOM 554 C PRO A 35 -15.404 2.764 6.016 1.00 0.93 C ATOM 555 O PRO A 35 -14.941 3.812 5.567 1.00 0.93 O ATOM 556 CB PRO A 35 -15.002 0.389 6.802 1.00 1.07 C ATOM 557 CG PRO A 35 -13.947 0.621 7.830 1.00 1.07 C ATOM 558 CD PRO A 35 -12.737 1.147 7.096 1.00 0.82 C ATOM 0 HA PRO A 35 -15.094 1.150 4.729 1.00 0.89 H new ATOM 0 HB2 PRO A 35 -16.000 0.519 7.222 1.00 1.07 H new ATOM 0 HB3 PRO A 35 -14.952 -0.625 6.405 1.00 1.07 H new ATOM 0 HG2 PRO A 35 -14.287 1.336 8.579 1.00 1.07 H new ATOM 0 HG3 PRO A 35 -13.709 -0.303 8.356 1.00 1.07 H new ATOM 0 HD2 PRO A 35 -12.296 1.999 7.613 1.00 0.82 H new ATOM 0 HD3 PRO A 35 -11.960 0.387 7.012 1.00 0.82 H new ATOM 566 N GLN A 36 -16.515 2.713 6.760 1.00 1.02 N ATOM 567 CA GLN A 36 -17.277 3.902 7.137 1.00 1.13 C ATOM 568 C GLN A 36 -18.013 4.468 5.929 1.00 1.16 C ATOM 569 O GLN A 36 -18.147 5.685 5.779 1.00 1.24 O ATOM 570 CB GLN A 36 -16.373 4.969 7.768 1.00 1.16 C ATOM 571 CG GLN A 36 -15.652 4.499 9.025 1.00 1.38 C ATOM 572 CD GLN A 36 -14.442 5.350 9.354 1.00 1.95 C ATOM 573 OE1 GLN A 36 -14.421 6.552 9.094 1.00 2.47 O ATOM 574 NE2 GLN A 36 -13.422 4.729 9.924 1.00 2.33 N ATOM 0 H GLN A 36 -16.909 1.843 7.117 1.00 1.02 H new ATOM 0 HA GLN A 36 -18.012 3.605 7.886 1.00 1.13 H new ATOM 0 HB2 GLN A 36 -15.633 5.286 7.033 1.00 1.16 H new ATOM 0 HB3 GLN A 36 -16.975 5.844 8.012 1.00 1.16 H new ATOM 0 HG2 GLN A 36 -16.345 4.519 9.866 1.00 1.38 H new ATOM 0 HG3 GLN A 36 -15.339 3.463 8.894 1.00 1.38 H new ATOM 0 HE21 GLN A 36 -13.480 3.730 10.123 1.00 2.33 H new ATOM 0 HE22 GLN A 36 -12.578 5.249 10.164 1.00 2.33 H new ATOM 583 N GLN A 37 -18.495 3.573 5.072 1.00 1.15 N ATOM 584 CA GLN A 37 -19.222 3.974 3.878 1.00 1.23 C ATOM 585 C GLN A 37 -20.242 2.915 3.469 1.00 1.30 C ATOM 586 O GLN A 37 -21.380 2.928 3.937 1.00 1.64 O ATOM 587 CB GLN A 37 -18.262 4.256 2.719 1.00 1.16 C ATOM 588 CG GLN A 37 -17.976 5.733 2.512 1.00 1.33 C ATOM 589 CD GLN A 37 -19.237 6.573 2.495 1.00 1.52 C ATOM 590 OE1 GLN A 37 -19.857 6.768 1.450 1.00 1.79 O ATOM 591 NE2 GLN A 37 -19.628 7.070 3.658 1.00 1.82 N ATOM 0 H GLN A 37 -18.394 2.564 5.185 1.00 1.15 H new ATOM 0 HA GLN A 37 -19.758 4.893 4.116 1.00 1.23 H new ATOM 0 HB2 GLN A 37 -17.322 3.735 2.902 1.00 1.16 H new ATOM 0 HB3 GLN A 37 -18.682 3.844 1.802 1.00 1.16 H new ATOM 0 HG2 GLN A 37 -17.319 6.087 3.306 1.00 1.33 H new ATOM 0 HG3 GLN A 37 -17.441 5.868 1.572 1.00 1.33 H new ATOM 0 HE21 GLN A 37 -19.084 6.884 4.501 1.00 1.82 H new ATOM 0 HE22 GLN A 37 -20.473 7.639 3.711 1.00 1.82 H new ATOM 600 N GLY A 38 -19.838 1.993 2.607 1.00 1.14 N ATOM 601 CA GLY A 38 -20.758 0.970 2.158 1.00 1.21 C ATOM 602 C GLY A 38 -20.146 -0.412 2.128 1.00 1.14 C ATOM 603 O GLY A 38 -20.549 -1.238 1.318 1.00 1.17 O ATOM 0 H GLY A 38 -18.899 1.935 2.214 1.00 1.14 H new ATOM 0 HA2 GLY A 38 -21.628 0.960 2.814 1.00 1.21 H new ATOM 0 HA3 GLY A 38 -21.114 1.224 1.160 1.00 1.21 H new ATOM 607 N ASN A 39 -19.170 -0.647 3.006 1.00 1.13 N ATOM 608 CA ASN A 39 -18.464 -1.938 3.127 1.00 1.11 C ATOM 609 C ASN A 39 -17.670 -2.324 1.860 1.00 0.97 C ATOM 610 O ASN A 39 -16.468 -2.567 1.940 1.00 0.89 O ATOM 611 CB ASN A 39 -19.426 -3.061 3.589 1.00 1.30 C ATOM 612 CG ASN A 39 -19.933 -3.980 2.485 1.00 1.40 C ATOM 613 OD1 ASN A 39 -19.201 -4.820 1.970 1.00 1.84 O ATOM 614 ND2 ASN A 39 -21.199 -3.847 2.136 1.00 1.70 N ATOM 0 H ASN A 39 -18.838 0.058 3.664 1.00 1.13 H new ATOM 0 HA ASN A 39 -17.711 -1.809 3.905 1.00 1.11 H new ATOM 0 HB2 ASN A 39 -18.917 -3.667 4.338 1.00 1.30 H new ATOM 0 HB3 ASN A 39 -20.284 -2.602 4.080 1.00 1.30 H new ATOM 0 HD21 ASN A 39 -21.596 -4.453 1.418 1.00 1.70 H new ATOM 0 HD22 ASN A 39 -21.780 -3.138 2.584 1.00 1.70 H new ATOM 621 N SER A 40 -18.322 -2.373 0.704 1.00 1.02 N ATOM 622 CA SER A 40 -17.646 -2.724 -0.538 1.00 0.95 C ATOM 623 C SER A 40 -17.147 -1.466 -1.234 1.00 0.87 C ATOM 624 O SER A 40 -16.260 -1.522 -2.083 1.00 0.82 O ATOM 625 CB SER A 40 -18.591 -3.496 -1.457 1.00 1.07 C ATOM 626 OG SER A 40 -19.232 -4.552 -0.758 1.00 1.30 O ATOM 0 H SER A 40 -19.317 -2.174 0.602 1.00 1.02 H new ATOM 0 HA SER A 40 -16.792 -3.360 -0.304 1.00 0.95 H new ATOM 0 HB2 SER A 40 -19.341 -2.818 -1.866 1.00 1.07 H new ATOM 0 HB3 SER A 40 -18.033 -3.900 -2.301 1.00 1.07 H new ATOM 0 HG SER A 40 -18.969 -4.527 0.186 1.00 1.30 H new ATOM 632 N GLU A 41 -17.741 -0.338 -0.872 1.00 0.92 N ATOM 633 CA GLU A 41 -17.357 0.945 -1.434 1.00 0.88 C ATOM 634 C GLU A 41 -16.592 1.747 -0.389 1.00 0.81 C ATOM 635 O GLU A 41 -17.189 2.281 0.550 1.00 0.90 O ATOM 636 CB GLU A 41 -18.590 1.717 -1.903 1.00 1.02 C ATOM 637 CG GLU A 41 -19.345 1.023 -3.024 1.00 1.34 C ATOM 638 CD GLU A 41 -20.313 1.945 -3.736 1.00 1.49 C ATOM 639 OE1 GLU A 41 -21.418 2.184 -3.206 1.00 1.83 O ATOM 640 OE2 GLU A 41 -19.979 2.428 -4.838 1.00 1.73 O ATOM 0 H GLU A 41 -18.495 -0.288 -0.187 1.00 0.92 H new ATOM 0 HA GLU A 41 -16.715 0.778 -2.299 1.00 0.88 H new ATOM 0 HB2 GLU A 41 -19.262 1.862 -1.057 1.00 1.02 H new ATOM 0 HB3 GLU A 41 -18.283 2.707 -2.240 1.00 1.02 H new ATOM 0 HG2 GLU A 41 -18.631 0.626 -3.745 1.00 1.34 H new ATOM 0 HG3 GLU A 41 -19.892 0.173 -2.616 1.00 1.34 H new ATOM 647 N PRO A 42 -15.259 1.795 -0.518 1.00 0.69 N ATOM 648 CA PRO A 42 -14.384 2.515 0.413 1.00 0.67 C ATOM 649 C PRO A 42 -14.512 4.031 0.297 1.00 0.69 C ATOM 650 O PRO A 42 -15.139 4.550 -0.629 1.00 0.77 O ATOM 651 CB PRO A 42 -12.968 2.074 0.004 1.00 0.60 C ATOM 652 CG PRO A 42 -13.155 0.927 -0.930 1.00 0.62 C ATOM 653 CD PRO A 42 -14.488 1.140 -1.577 1.00 0.64 C ATOM 0 HA PRO A 42 -14.638 2.286 1.448 1.00 0.67 H new ATOM 0 HB2 PRO A 42 -12.429 2.889 -0.480 1.00 0.60 H new ATOM 0 HB3 PRO A 42 -12.383 1.778 0.875 1.00 0.60 H new ATOM 0 HG2 PRO A 42 -12.360 0.896 -1.675 1.00 0.62 H new ATOM 0 HG3 PRO A 42 -13.128 -0.022 -0.394 1.00 0.62 H new ATOM 0 HD2 PRO A 42 -14.411 1.764 -2.467 1.00 0.64 H new ATOM 0 HD3 PRO A 42 -14.943 0.199 -1.886 1.00 0.64 H new ATOM 661 N VAL A 43 -13.902 4.732 1.244 1.00 0.67 N ATOM 662 CA VAL A 43 -13.933 6.191 1.272 1.00 0.72 C ATOM 663 C VAL A 43 -12.995 6.786 0.222 1.00 0.65 C ATOM 664 O VAL A 43 -12.166 6.083 -0.355 1.00 0.58 O ATOM 665 CB VAL A 43 -13.553 6.744 2.662 1.00 0.76 C ATOM 666 CG1 VAL A 43 -14.607 6.375 3.690 1.00 0.90 C ATOM 667 CG2 VAL A 43 -12.184 6.239 3.090 1.00 0.67 C ATOM 0 H VAL A 43 -13.375 4.311 2.009 1.00 0.67 H new ATOM 0 HA VAL A 43 -14.958 6.484 1.046 1.00 0.72 H new ATOM 0 HB VAL A 43 -13.506 7.831 2.594 1.00 0.76 H new ATOM 0 HG11 VAL A 43 -14.321 6.774 4.663 1.00 0.90 H new ATOM 0 HG12 VAL A 43 -15.568 6.796 3.393 1.00 0.90 H new ATOM 0 HG13 VAL A 43 -14.690 5.290 3.753 1.00 0.90 H new ATOM 0 HG21 VAL A 43 -11.938 6.642 4.072 1.00 0.67 H new ATOM 0 HG22 VAL A 43 -12.196 5.150 3.137 1.00 0.67 H new ATOM 0 HG23 VAL A 43 -11.435 6.562 2.367 1.00 0.67 H new ATOM 677 N VAL A 44 -13.109 8.091 0.001 1.00 0.72 N ATOM 678 CA VAL A 44 -12.285 8.780 -0.992 1.00 0.71 C ATOM 679 C VAL A 44 -10.815 8.826 -0.581 1.00 0.66 C ATOM 680 O VAL A 44 -9.932 8.967 -1.426 1.00 0.68 O ATOM 681 CB VAL A 44 -12.771 10.226 -1.253 1.00 0.85 C ATOM 682 CG1 VAL A 44 -13.606 10.292 -2.520 1.00 1.06 C ATOM 683 CG2 VAL A 44 -13.557 10.767 -0.063 1.00 0.98 C ATOM 0 H VAL A 44 -13.764 8.696 0.496 1.00 0.72 H new ATOM 0 HA VAL A 44 -12.385 8.199 -1.909 1.00 0.71 H new ATOM 0 HB VAL A 44 -11.891 10.855 -1.387 1.00 0.85 H new ATOM 0 HG11 VAL A 44 -13.937 11.317 -2.684 1.00 1.06 H new ATOM 0 HG12 VAL A 44 -13.006 9.964 -3.369 1.00 1.06 H new ATOM 0 HG13 VAL A 44 -14.475 9.642 -2.417 1.00 1.06 H new ATOM 0 HG21 VAL A 44 -13.885 11.784 -0.276 1.00 0.98 H new ATOM 0 HG22 VAL A 44 -14.427 10.135 0.116 1.00 0.98 H new ATOM 0 HG23 VAL A 44 -12.921 10.769 0.822 1.00 0.98 H new ATOM 693 N GLN A 45 -10.555 8.706 0.713 1.00 0.66 N ATOM 694 CA GLN A 45 -9.187 8.744 1.218 1.00 0.65 C ATOM 695 C GLN A 45 -8.669 7.339 1.500 1.00 0.57 C ATOM 696 O GLN A 45 -7.622 7.178 2.121 1.00 0.62 O ATOM 697 CB GLN A 45 -9.095 9.580 2.502 1.00 0.74 C ATOM 698 CG GLN A 45 -10.146 10.671 2.611 1.00 1.07 C ATOM 699 CD GLN A 45 -11.317 10.257 3.473 1.00 1.44 C ATOM 700 OE1 GLN A 45 -12.269 9.640 2.993 1.00 1.88 O ATOM 701 NE2 GLN A 45 -11.262 10.597 4.751 1.00 1.94 N ATOM 0 H GLN A 45 -11.269 8.582 1.431 1.00 0.66 H new ATOM 0 HA GLN A 45 -8.572 9.205 0.446 1.00 0.65 H new ATOM 0 HB2 GLN A 45 -9.186 8.916 3.362 1.00 0.74 H new ATOM 0 HB3 GLN A 45 -8.107 10.037 2.555 1.00 0.74 H new ATOM 0 HG2 GLN A 45 -9.691 11.570 3.027 1.00 1.07 H new ATOM 0 HG3 GLN A 45 -10.505 10.928 1.614 1.00 1.07 H new ATOM 0 HE21 GLN A 45 -10.455 11.108 5.108 1.00 1.94 H new ATOM 0 HE22 GLN A 45 -12.027 10.348 5.378 1.00 1.94 H new ATOM 710 N ASP A 46 -9.400 6.330 1.035 1.00 0.49 N ATOM 711 CA ASP A 46 -9.017 4.933 1.257 1.00 0.42 C ATOM 712 C ASP A 46 -7.641 4.631 0.678 1.00 0.41 C ATOM 713 O ASP A 46 -6.725 4.259 1.405 1.00 0.46 O ATOM 714 CB ASP A 46 -10.044 3.982 0.642 1.00 0.38 C ATOM 715 CG ASP A 46 -9.544 2.551 0.597 1.00 0.31 C ATOM 716 OD1 ASP A 46 -9.471 1.915 1.670 1.00 0.32 O ATOM 717 OD2 ASP A 46 -9.210 2.069 -0.515 1.00 0.31 O ATOM 0 H ASP A 46 -10.261 6.450 0.502 1.00 0.49 H new ATOM 0 HA ASP A 46 -8.983 4.779 2.336 1.00 0.42 H new ATOM 0 HB2 ASP A 46 -10.968 4.024 1.219 1.00 0.38 H new ATOM 0 HB3 ASP A 46 -10.284 4.313 -0.368 1.00 0.38 H new ATOM 722 N LEU A 47 -7.498 4.824 -0.631 1.00 0.46 N ATOM 723 CA LEU A 47 -6.238 4.554 -1.325 1.00 0.54 C ATOM 724 C LEU A 47 -5.067 5.284 -0.673 1.00 0.56 C ATOM 725 O LEU A 47 -3.939 4.790 -0.667 1.00 0.65 O ATOM 726 CB LEU A 47 -6.341 4.938 -2.805 1.00 0.66 C ATOM 727 CG LEU A 47 -6.285 6.438 -3.112 1.00 0.88 C ATOM 728 CD1 LEU A 47 -5.764 6.665 -4.519 1.00 1.41 C ATOM 729 CD2 LEU A 47 -7.655 7.081 -2.950 1.00 1.00 C ATOM 0 H LEU A 47 -8.243 5.168 -1.237 1.00 0.46 H new ATOM 0 HA LEU A 47 -6.049 3.483 -1.250 1.00 0.54 H new ATOM 0 HB2 LEU A 47 -5.532 4.446 -3.345 1.00 0.66 H new ATOM 0 HB3 LEU A 47 -7.276 4.541 -3.199 1.00 0.66 H new ATOM 0 HG LEU A 47 -5.604 6.905 -2.400 1.00 0.88 H new ATOM 0 HD11 LEU A 47 -5.729 7.735 -4.726 1.00 1.41 H new ATOM 0 HD12 LEU A 47 -4.762 6.245 -4.608 1.00 1.41 H new ATOM 0 HD13 LEU A 47 -6.426 6.179 -5.235 1.00 1.41 H new ATOM 0 HD21 LEU A 47 -7.586 8.146 -3.174 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -8.361 6.611 -3.635 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -8.001 6.948 -1.925 1.00 1.00 H new ATOM 741 N ALA A 48 -5.344 6.456 -0.121 1.00 0.58 N ATOM 742 CA ALA A 48 -4.322 7.245 0.541 1.00 0.69 C ATOM 743 C ALA A 48 -3.996 6.649 1.905 1.00 0.67 C ATOM 744 O ALA A 48 -2.831 6.485 2.261 1.00 0.76 O ATOM 745 CB ALA A 48 -4.781 8.689 0.679 1.00 0.83 C ATOM 0 H ALA A 48 -6.271 6.881 -0.120 1.00 0.58 H new ATOM 0 HA ALA A 48 -3.416 7.229 -0.065 1.00 0.69 H new ATOM 0 HB1 ALA A 48 -4.006 9.271 1.177 1.00 0.83 H new ATOM 0 HB2 ALA A 48 -4.970 9.107 -0.310 1.00 0.83 H new ATOM 0 HB3 ALA A 48 -5.697 8.725 1.269 1.00 0.83 H new ATOM 751 N GLN A 49 -5.039 6.295 2.642 1.00 0.60 N ATOM 752 CA GLN A 49 -4.895 5.723 3.973 1.00 0.62 C ATOM 753 C GLN A 49 -4.179 4.380 3.925 1.00 0.59 C ATOM 754 O GLN A 49 -3.358 4.075 4.795 1.00 0.66 O ATOM 755 CB GLN A 49 -6.271 5.550 4.622 1.00 0.62 C ATOM 756 CG GLN A 49 -6.209 5.245 6.108 1.00 0.95 C ATOM 757 CD GLN A 49 -5.533 6.348 6.893 1.00 1.27 C ATOM 758 OE1 GLN A 49 -6.182 7.284 7.356 1.00 1.86 O ATOM 759 NE2 GLN A 49 -4.224 6.245 7.042 1.00 1.43 N ATOM 0 H GLN A 49 -6.007 6.396 2.335 1.00 0.60 H new ATOM 0 HA GLN A 49 -4.293 6.410 4.568 1.00 0.62 H new ATOM 0 HB2 GLN A 49 -6.852 6.460 4.470 1.00 0.62 H new ATOM 0 HB3 GLN A 49 -6.803 4.744 4.116 1.00 0.62 H new ATOM 0 HG2 GLN A 49 -7.220 5.098 6.489 1.00 0.95 H new ATOM 0 HG3 GLN A 49 -5.671 4.310 6.263 1.00 0.95 H new ATOM 0 HE21 GLN A 49 -3.726 5.451 6.641 1.00 1.43 H new ATOM 0 HE22 GLN A 49 -3.712 6.960 7.559 1.00 1.43 H new ATOM 768 N LEU A 50 -4.488 3.592 2.901 1.00 0.52 N ATOM 769 CA LEU A 50 -3.894 2.269 2.721 1.00 0.53 C ATOM 770 C LEU A 50 -2.371 2.321 2.726 1.00 0.65 C ATOM 771 O LEU A 50 -1.716 1.596 3.472 1.00 0.72 O ATOM 772 CB LEU A 50 -4.373 1.649 1.407 1.00 0.46 C ATOM 773 CG LEU A 50 -5.885 1.474 1.280 1.00 0.36 C ATOM 774 CD1 LEU A 50 -6.248 0.921 -0.088 1.00 0.35 C ATOM 775 CD2 LEU A 50 -6.415 0.568 2.377 1.00 0.40 C ATOM 0 H LEU A 50 -5.155 3.850 2.174 1.00 0.52 H new ATOM 0 HA LEU A 50 -4.215 1.655 3.562 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -4.026 2.272 0.583 1.00 0.46 H new ATOM 0 HB3 LEU A 50 -3.900 0.674 1.291 1.00 0.46 H new ATOM 0 HG LEU A 50 -6.350 2.454 1.390 1.00 0.36 H new ATOM 0 HD11 LEU A 50 -7.329 0.804 -0.158 1.00 0.35 H new ATOM 0 HD12 LEU A 50 -5.907 1.610 -0.861 1.00 0.35 H new ATOM 0 HD13 LEU A 50 -5.768 -0.048 -0.228 1.00 0.35 H new ATOM 0 HD21 LEU A 50 -7.494 0.457 2.268 1.00 0.40 H new ATOM 0 HD22 LEU A 50 -5.940 -0.410 2.302 1.00 0.40 H new ATOM 0 HD23 LEU A 50 -6.192 1.006 3.350 1.00 0.40 H new ATOM 787 N VAL A 51 -1.807 3.190 1.904 1.00 0.70 N ATOM 788 CA VAL A 51 -0.360 3.305 1.811 1.00 0.84 C ATOM 789 C VAL A 51 0.224 4.099 2.984 1.00 0.90 C ATOM 790 O VAL A 51 1.356 3.852 3.409 1.00 1.01 O ATOM 791 CB VAL A 51 0.065 3.931 0.464 1.00 0.90 C ATOM 792 CG1 VAL A 51 -0.210 5.429 0.430 1.00 1.56 C ATOM 793 CG2 VAL A 51 1.528 3.639 0.180 1.00 1.37 C ATOM 0 H VAL A 51 -2.325 3.823 1.294 1.00 0.70 H new ATOM 0 HA VAL A 51 0.045 2.294 1.862 1.00 0.84 H new ATOM 0 HB VAL A 51 -0.537 3.474 -0.321 1.00 0.90 H new ATOM 0 HG11 VAL A 51 0.102 5.834 -0.533 1.00 1.56 H new ATOM 0 HG12 VAL A 51 -1.276 5.606 0.570 1.00 1.56 H new ATOM 0 HG13 VAL A 51 0.347 5.919 1.228 1.00 1.56 H new ATOM 0 HG21 VAL A 51 1.810 4.087 -0.773 1.00 1.37 H new ATOM 0 HG22 VAL A 51 2.144 4.059 0.975 1.00 1.37 H new ATOM 0 HG23 VAL A 51 1.681 2.561 0.133 1.00 1.37 H new ATOM 803 N GLU A 52 -0.561 5.022 3.530 1.00 0.86 N ATOM 804 CA GLU A 52 -0.113 5.839 4.649 1.00 0.93 C ATOM 805 C GLU A 52 0.040 4.997 5.914 1.00 0.95 C ATOM 806 O GLU A 52 1.103 4.981 6.537 1.00 1.07 O ATOM 807 CB GLU A 52 -1.096 6.985 4.896 1.00 0.91 C ATOM 808 CG GLU A 52 -0.714 7.864 6.073 1.00 1.13 C ATOM 809 CD GLU A 52 -1.541 9.126 6.148 1.00 1.17 C ATOM 810 OE1 GLU A 52 -2.692 9.056 6.620 1.00 1.37 O ATOM 811 OE2 GLU A 52 -1.040 10.201 5.745 1.00 1.40 O ATOM 0 H GLU A 52 -1.510 5.222 3.215 1.00 0.86 H new ATOM 0 HA GLU A 52 0.862 6.256 4.395 1.00 0.93 H new ATOM 0 HB2 GLU A 52 -1.159 7.600 3.998 1.00 0.91 H new ATOM 0 HB3 GLU A 52 -2.089 6.571 5.069 1.00 0.91 H new ATOM 0 HG2 GLU A 52 -0.835 7.299 6.998 1.00 1.13 H new ATOM 0 HG3 GLU A 52 0.341 8.129 5.997 1.00 1.13 H new ATOM 818 N GLU A 53 -1.009 4.259 6.256 1.00 0.86 N ATOM 819 CA GLU A 53 -1.011 3.425 7.453 1.00 0.89 C ATOM 820 C GLU A 53 -0.206 2.143 7.239 1.00 0.93 C ATOM 821 O GLU A 53 -0.047 1.332 8.152 1.00 1.01 O ATOM 822 CB GLU A 53 -2.448 3.086 7.850 1.00 0.85 C ATOM 823 CG GLU A 53 -2.583 2.538 9.259 1.00 1.33 C ATOM 824 CD GLU A 53 -4.012 2.528 9.735 1.00 1.45 C ATOM 825 OE1 GLU A 53 -4.524 3.608 10.102 1.00 1.99 O ATOM 826 OE2 GLU A 53 -4.630 1.442 9.753 1.00 1.81 O ATOM 0 H GLU A 53 -1.875 4.221 5.718 1.00 0.86 H new ATOM 0 HA GLU A 53 -0.538 3.987 8.258 1.00 0.89 H new ATOM 0 HB2 GLU A 53 -3.061 3.983 7.759 1.00 0.85 H new ATOM 0 HB3 GLU A 53 -2.846 2.355 7.146 1.00 0.85 H new ATOM 0 HG2 GLU A 53 -2.185 1.524 9.292 1.00 1.33 H new ATOM 0 HG3 GLU A 53 -1.980 3.139 9.939 1.00 1.33 H new ATOM 833 N ALA A 54 0.310 1.965 6.030 1.00 0.93 N ATOM 834 CA ALA A 54 1.097 0.782 5.710 1.00 1.00 C ATOM 835 C ALA A 54 2.411 0.784 6.482 1.00 1.15 C ATOM 836 O ALA A 54 2.974 -0.272 6.772 1.00 1.28 O ATOM 837 CB ALA A 54 1.362 0.705 4.216 1.00 1.06 C ATOM 0 H ALA A 54 0.198 2.622 5.258 1.00 0.93 H new ATOM 0 HA ALA A 54 0.525 -0.097 6.006 1.00 1.00 H new ATOM 0 HB1 ALA A 54 1.951 -0.185 3.996 1.00 1.06 H new ATOM 0 HB2 ALA A 54 0.414 0.654 3.680 1.00 1.06 H new ATOM 0 HB3 ALA A 54 1.911 1.591 3.898 1.00 1.06 H new ATOM 843 N THR A 55 2.903 1.975 6.808 1.00 1.21 N ATOM 844 CA THR A 55 4.154 2.104 7.546 1.00 1.38 C ATOM 845 C THR A 55 4.227 3.413 8.331 1.00 1.40 C ATOM 846 O THR A 55 5.264 3.732 8.912 1.00 1.55 O ATOM 847 CB THR A 55 5.364 2.026 6.594 1.00 1.60 C ATOM 848 OG1 THR A 55 4.946 2.300 5.249 1.00 1.81 O ATOM 849 CG2 THR A 55 6.019 0.653 6.652 1.00 1.77 C ATOM 0 H THR A 55 2.456 2.862 6.574 1.00 1.21 H new ATOM 0 HA THR A 55 4.183 1.274 8.252 1.00 1.38 H new ATOM 0 HB THR A 55 6.093 2.771 6.912 1.00 1.60 H new ATOM 0 HG1 THR A 55 5.532 2.980 4.856 1.00 1.81 H new ATOM 0 HG21 THR A 55 6.869 0.626 5.971 1.00 1.77 H new ATOM 0 HG22 THR A 55 6.362 0.456 7.668 1.00 1.77 H new ATOM 0 HG23 THR A 55 5.296 -0.108 6.359 1.00 1.77 H new ATOM 857 N GLY A 56 3.126 4.155 8.362 1.00 1.30 N ATOM 858 CA GLY A 56 3.111 5.422 9.071 1.00 1.34 C ATOM 859 C GLY A 56 3.873 6.493 8.316 1.00 1.42 C ATOM 860 O GLY A 56 4.687 7.217 8.891 1.00 1.55 O ATOM 0 H GLY A 56 2.246 3.904 7.911 1.00 1.30 H new ATOM 0 HA2 GLY A 56 2.080 5.744 9.220 1.00 1.34 H new ATOM 0 HA3 GLY A 56 3.550 5.291 10.060 1.00 1.34 H new ATOM 864 N VAL A 57 3.603 6.589 7.021 1.00 1.37 N ATOM 865 CA VAL A 57 4.273 7.554 6.160 1.00 1.46 C ATOM 866 C VAL A 57 3.284 8.595 5.648 1.00 1.37 C ATOM 867 O VAL A 57 2.204 8.243 5.183 1.00 1.26 O ATOM 868 CB VAL A 57 4.933 6.852 4.950 1.00 1.55 C ATOM 869 CG1 VAL A 57 5.768 7.828 4.136 1.00 1.70 C ATOM 870 CG2 VAL A 57 5.786 5.679 5.406 1.00 1.63 C ATOM 0 H VAL A 57 2.919 6.005 6.541 1.00 1.37 H new ATOM 0 HA VAL A 57 5.044 8.044 6.755 1.00 1.46 H new ATOM 0 HB VAL A 57 4.135 6.473 4.311 1.00 1.55 H new ATOM 0 HG11 VAL A 57 6.219 7.305 3.293 1.00 1.70 H new ATOM 0 HG12 VAL A 57 5.131 8.632 3.766 1.00 1.70 H new ATOM 0 HG13 VAL A 57 6.553 8.248 4.765 1.00 1.70 H new ATOM 0 HG21 VAL A 57 6.240 5.200 4.538 1.00 1.63 H new ATOM 0 HG22 VAL A 57 6.569 6.037 6.075 1.00 1.63 H new ATOM 0 HG23 VAL A 57 5.161 4.958 5.933 1.00 1.63 H new ATOM 880 N PRO A 58 3.627 9.891 5.747 1.00 1.45 N ATOM 881 CA PRO A 58 2.761 10.976 5.270 1.00 1.41 C ATOM 882 C PRO A 58 2.548 10.914 3.753 1.00 1.35 C ATOM 883 O PRO A 58 3.427 10.476 3.007 1.00 1.39 O ATOM 884 CB PRO A 58 3.521 12.249 5.663 1.00 1.56 C ATOM 885 CG PRO A 58 4.938 11.818 5.839 1.00 1.67 C ATOM 886 CD PRO A 58 4.875 10.402 6.338 1.00 1.63 C ATOM 0 HA PRO A 58 1.761 10.923 5.701 1.00 1.41 H new ATOM 0 HB2 PRO A 58 3.435 13.014 4.891 1.00 1.56 H new ATOM 0 HB3 PRO A 58 3.122 12.678 6.582 1.00 1.56 H new ATOM 0 HG2 PRO A 58 5.485 11.877 4.898 1.00 1.67 H new ATOM 0 HG3 PRO A 58 5.457 12.461 6.550 1.00 1.67 H new ATOM 0 HD2 PRO A 58 5.740 9.823 6.015 1.00 1.63 H new ATOM 0 HD3 PRO A 58 4.852 10.360 7.427 1.00 1.63 H new ATOM 894 N LEU A 59 1.379 11.364 3.310 1.00 1.29 N ATOM 895 CA LEU A 59 1.017 11.354 1.889 1.00 1.26 C ATOM 896 C LEU A 59 2.044 12.057 0.978 1.00 1.34 C ATOM 897 O LEU A 59 2.430 11.490 -0.042 1.00 1.35 O ATOM 898 CB LEU A 59 -0.373 11.966 1.687 1.00 1.25 C ATOM 899 CG LEU A 59 -1.532 11.154 2.262 1.00 1.25 C ATOM 900 CD1 LEU A 59 -2.861 11.814 1.936 1.00 1.27 C ATOM 901 CD2 LEU A 59 -1.502 9.728 1.738 1.00 1.54 C ATOM 0 H LEU A 59 0.655 11.745 3.919 1.00 1.29 H new ATOM 0 HA LEU A 59 1.010 10.306 1.589 1.00 1.26 H new ATOM 0 HB2 LEU A 59 -0.385 12.957 2.140 1.00 1.25 H new ATOM 0 HB3 LEU A 59 -0.541 12.102 0.619 1.00 1.25 H new ATOM 0 HG LEU A 59 -1.421 11.122 3.346 1.00 1.25 H new ATOM 0 HD11 LEU A 59 -3.674 11.221 2.354 1.00 1.27 H new ATOM 0 HD12 LEU A 59 -2.885 12.816 2.365 1.00 1.27 H new ATOM 0 HD13 LEU A 59 -2.979 11.880 0.854 1.00 1.27 H new ATOM 0 HD21 LEU A 59 -2.336 9.168 2.160 1.00 1.54 H new ATOM 0 HD22 LEU A 59 -1.585 9.738 0.651 1.00 1.54 H new ATOM 0 HD23 LEU A 59 -0.564 9.254 2.026 1.00 1.54 H new ATOM 913 N PRO A 60 2.512 13.287 1.306 1.00 1.42 N ATOM 914 CA PRO A 60 3.485 14.007 0.458 1.00 1.52 C ATOM 915 C PRO A 60 4.862 13.337 0.381 1.00 1.60 C ATOM 916 O PRO A 60 5.795 13.894 -0.198 1.00 1.79 O ATOM 917 CB PRO A 60 3.613 15.380 1.127 1.00 1.61 C ATOM 918 CG PRO A 60 2.425 15.494 2.015 1.00 1.56 C ATOM 919 CD PRO A 60 2.129 14.099 2.475 1.00 1.46 C ATOM 0 HA PRO A 60 3.137 14.037 -0.575 1.00 1.52 H new ATOM 0 HB2 PRO A 60 4.539 15.455 1.697 1.00 1.61 H new ATOM 0 HB3 PRO A 60 3.629 16.179 0.386 1.00 1.61 H new ATOM 0 HG2 PRO A 60 2.630 16.150 2.861 1.00 1.56 H new ATOM 0 HG3 PRO A 60 1.575 15.919 1.480 1.00 1.56 H new ATOM 0 HD2 PRO A 60 2.707 13.833 3.360 1.00 1.46 H new ATOM 0 HD3 PRO A 60 1.077 13.971 2.730 1.00 1.46 H new ATOM 927 N PHE A 61 4.997 12.155 0.961 1.00 1.55 N ATOM 928 CA PHE A 61 6.265 11.443 0.937 1.00 1.63 C ATOM 929 C PHE A 61 6.195 10.230 0.015 1.00 1.59 C ATOM 930 O PHE A 61 7.208 9.581 -0.254 1.00 1.70 O ATOM 931 CB PHE A 61 6.655 11.002 2.349 1.00 1.66 C ATOM 932 CG PHE A 61 7.855 11.726 2.891 1.00 1.80 C ATOM 933 CD1 PHE A 61 7.754 13.037 3.331 1.00 1.95 C ATOM 934 CD2 PHE A 61 9.086 11.094 2.957 1.00 2.00 C ATOM 935 CE1 PHE A 61 8.860 13.703 3.824 1.00 2.23 C ATOM 936 CE2 PHE A 61 10.194 11.754 3.451 1.00 2.25 C ATOM 937 CZ PHE A 61 10.082 13.060 3.884 1.00 2.34 C ATOM 0 H PHE A 61 4.247 11.669 1.453 1.00 1.55 H new ATOM 0 HA PHE A 61 7.025 12.124 0.553 1.00 1.63 H new ATOM 0 HB2 PHE A 61 5.810 11.163 3.018 1.00 1.66 H new ATOM 0 HB3 PHE A 61 6.858 9.931 2.344 1.00 1.66 H new ATOM 0 HD1 PHE A 61 6.801 13.543 3.288 1.00 1.95 H new ATOM 0 HD2 PHE A 61 9.180 10.073 2.618 1.00 2.00 H new ATOM 0 HE1 PHE A 61 8.770 14.725 4.162 1.00 2.23 H new ATOM 0 HE2 PHE A 61 11.147 11.249 3.499 1.00 2.25 H new ATOM 0 HZ PHE A 61 10.948 13.578 4.269 1.00 2.34 H new ATOM 947 N GLN A 62 5.000 9.926 -0.475 1.00 1.47 N ATOM 948 CA GLN A 62 4.818 8.783 -1.353 1.00 1.44 C ATOM 949 C GLN A 62 3.841 9.094 -2.481 1.00 1.40 C ATOM 950 O GLN A 62 2.851 9.799 -2.290 1.00 1.55 O ATOM 951 CB GLN A 62 4.337 7.573 -0.549 1.00 1.38 C ATOM 952 CG GLN A 62 3.096 7.836 0.286 1.00 1.35 C ATOM 953 CD GLN A 62 2.982 6.892 1.466 1.00 1.64 C ATOM 954 OE1 GLN A 62 3.491 5.773 1.437 1.00 2.14 O ATOM 955 NE2 GLN A 62 2.305 7.336 2.508 1.00 1.66 N ATOM 0 H GLN A 62 4.149 10.453 -0.280 1.00 1.47 H new ATOM 0 HA GLN A 62 5.782 8.551 -1.806 1.00 1.44 H new ATOM 0 HB2 GLN A 62 4.132 6.752 -1.236 1.00 1.38 H new ATOM 0 HB3 GLN A 62 5.142 7.245 0.109 1.00 1.38 H new ATOM 0 HG2 GLN A 62 3.116 8.864 0.647 1.00 1.35 H new ATOM 0 HG3 GLN A 62 2.211 7.736 -0.342 1.00 1.35 H new ATOM 0 HE21 GLN A 62 1.898 8.271 2.491 1.00 1.66 H new ATOM 0 HE22 GLN A 62 2.188 6.744 3.330 1.00 1.66 H new ATOM 964 N LYS A 63 4.136 8.575 -3.661 1.00 1.42 N ATOM 965 CA LYS A 63 3.289 8.783 -4.823 1.00 1.38 C ATOM 966 C LYS A 63 2.407 7.565 -5.063 1.00 1.27 C ATOM 967 O LYS A 63 2.780 6.663 -5.811 1.00 1.31 O ATOM 968 CB LYS A 63 4.147 9.046 -6.057 1.00 1.51 C ATOM 969 CG LYS A 63 3.888 10.391 -6.712 1.00 1.64 C ATOM 970 CD LYS A 63 4.785 10.589 -7.921 1.00 1.73 C ATOM 971 CE LYS A 63 4.586 11.955 -8.551 1.00 1.94 C ATOM 972 NZ LYS A 63 4.928 13.059 -7.617 1.00 2.29 N ATOM 0 H LYS A 63 4.961 8.003 -3.840 1.00 1.42 H new ATOM 0 HA LYS A 63 2.653 9.648 -4.636 1.00 1.38 H new ATOM 0 HB2 LYS A 63 5.198 8.987 -5.776 1.00 1.51 H new ATOM 0 HB3 LYS A 63 3.967 8.257 -6.787 1.00 1.51 H new ATOM 0 HG2 LYS A 63 2.843 10.457 -7.015 1.00 1.64 H new ATOM 0 HG3 LYS A 63 4.061 11.190 -5.991 1.00 1.64 H new ATOM 0 HD2 LYS A 63 5.827 10.474 -7.623 1.00 1.73 H new ATOM 0 HD3 LYS A 63 4.577 9.814 -8.659 1.00 1.73 H new ATOM 0 HE2 LYS A 63 5.203 12.034 -9.446 1.00 1.94 H new ATOM 0 HE3 LYS A 63 3.549 12.059 -8.869 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 5.008 13.950 -8.147 1.00 2.29 H new ATOM 0 HZ2 LYS A 63 4.182 13.149 -6.898 1.00 2.29 H new ATOM 0 HZ3 LYS A 63 5.834 12.851 -7.151 1.00 2.29 H new ATOM 986 N LEU A 64 1.258 7.527 -4.403 1.00 1.16 N ATOM 987 CA LEU A 64 0.327 6.413 -4.559 1.00 1.06 C ATOM 988 C LEU A 64 -0.346 6.482 -5.925 1.00 1.05 C ATOM 989 O LEU A 64 -1.104 7.410 -6.205 1.00 1.06 O ATOM 990 CB LEU A 64 -0.731 6.437 -3.445 1.00 0.98 C ATOM 991 CG LEU A 64 -1.428 5.095 -3.145 1.00 0.91 C ATOM 992 CD1 LEU A 64 -2.456 4.749 -4.212 1.00 0.99 C ATOM 993 CD2 LEU A 64 -0.410 3.972 -3.017 1.00 1.06 C ATOM 0 H LEU A 64 0.947 8.251 -3.756 1.00 1.16 H new ATOM 0 HA LEU A 64 0.885 5.480 -4.486 1.00 1.06 H new ATOM 0 HB2 LEU A 64 -0.257 6.790 -2.529 1.00 0.98 H new ATOM 0 HB3 LEU A 64 -1.494 7.168 -3.712 1.00 0.98 H new ATOM 0 HG LEU A 64 -1.950 5.206 -2.195 1.00 0.91 H new ATOM 0 HD11 LEU A 64 -2.927 3.797 -3.968 1.00 0.99 H new ATOM 0 HD12 LEU A 64 -3.215 5.530 -4.253 1.00 0.99 H new ATOM 0 HD13 LEU A 64 -1.963 4.672 -5.181 1.00 0.99 H new ATOM 0 HD21 LEU A 64 -0.926 3.036 -2.805 1.00 1.06 H new ATOM 0 HD22 LEU A 64 0.146 3.877 -3.950 1.00 1.06 H new ATOM 0 HD23 LEU A 64 0.280 4.198 -2.204 1.00 1.06 H new ATOM 1005 N ILE A 65 -0.056 5.508 -6.776 1.00 1.07 N ATOM 1006 CA ILE A 65 -0.634 5.463 -8.109 1.00 1.08 C ATOM 1007 C ILE A 65 -1.134 4.058 -8.427 1.00 1.05 C ATOM 1008 O ILE A 65 -0.385 3.222 -8.935 1.00 1.15 O ATOM 1009 CB ILE A 65 0.380 5.902 -9.190 1.00 1.22 C ATOM 1010 CG1 ILE A 65 0.982 7.269 -8.847 1.00 1.27 C ATOM 1011 CG2 ILE A 65 -0.289 5.948 -10.555 1.00 1.42 C ATOM 1012 CD1 ILE A 65 2.177 7.640 -9.698 1.00 1.42 C ATOM 0 H ILE A 65 0.578 4.737 -6.565 1.00 1.07 H new ATOM 0 HA ILE A 65 -1.470 6.162 -8.120 1.00 1.08 H new ATOM 0 HB ILE A 65 1.187 5.170 -9.219 1.00 1.22 H new ATOM 0 HG12 ILE A 65 0.214 8.033 -8.963 1.00 1.27 H new ATOM 0 HG13 ILE A 65 1.279 7.272 -7.798 1.00 1.27 H new ATOM 0 HG21 ILE A 65 0.437 6.259 -11.306 1.00 1.42 H new ATOM 0 HG22 ILE A 65 -0.670 4.958 -10.807 1.00 1.42 H new ATOM 0 HG23 ILE A 65 -1.114 6.660 -10.532 1.00 1.42 H new ATOM 0 HD11 ILE A 65 2.548 8.620 -9.397 1.00 1.42 H new ATOM 0 HD12 ILE A 65 2.964 6.897 -9.564 1.00 1.42 H new ATOM 0 HD13 ILE A 65 1.881 7.671 -10.747 1.00 1.42 H new ATOM 1024 N PHE A 66 -2.395 3.798 -8.103 1.00 0.93 N ATOM 1025 CA PHE A 66 -3.006 2.502 -8.357 1.00 0.91 C ATOM 1026 C PHE A 66 -4.520 2.603 -8.217 1.00 0.84 C ATOM 1027 O PHE A 66 -5.043 3.653 -7.832 1.00 0.81 O ATOM 1028 CB PHE A 66 -2.457 1.436 -7.407 1.00 0.89 C ATOM 1029 CG PHE A 66 -1.986 0.195 -8.117 1.00 0.97 C ATOM 1030 CD1 PHE A 66 -2.885 -0.793 -8.490 1.00 1.24 C ATOM 1031 CD2 PHE A 66 -0.647 0.018 -8.415 1.00 1.20 C ATOM 1032 CE1 PHE A 66 -2.456 -1.930 -9.145 1.00 1.32 C ATOM 1033 CE2 PHE A 66 -0.212 -1.119 -9.069 1.00 1.28 C ATOM 1034 CZ PHE A 66 -1.118 -2.092 -9.434 1.00 1.16 C ATOM 0 H PHE A 66 -3.017 4.474 -7.660 1.00 0.93 H new ATOM 0 HA PHE A 66 -2.759 2.203 -9.376 1.00 0.91 H new ATOM 0 HB2 PHE A 66 -1.629 1.858 -6.838 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -3.231 1.165 -6.689 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -3.934 -0.671 -8.265 1.00 1.24 H new ATOM 0 HD2 PHE A 66 0.067 0.778 -8.133 1.00 1.20 H new ATOM 0 HE1 PHE A 66 -3.167 -2.691 -9.430 1.00 1.32 H new ATOM 0 HE2 PHE A 66 0.837 -1.245 -9.294 1.00 1.28 H new ATOM 0 HZ PHE A 66 -0.780 -2.981 -9.946 1.00 1.16 H new ATOM 1044 N LYS A 67 -5.210 1.512 -8.551 1.00 0.87 N ATOM 1045 CA LYS A 67 -6.669 1.435 -8.487 1.00 0.89 C ATOM 1046 C LYS A 67 -7.301 2.401 -9.489 1.00 0.84 C ATOM 1047 O LYS A 67 -8.494 2.699 -9.414 1.00 0.84 O ATOM 1048 CB LYS A 67 -7.184 1.715 -7.062 1.00 1.00 C ATOM 1049 CG LYS A 67 -6.766 0.664 -6.034 1.00 0.69 C ATOM 1050 CD LYS A 67 -7.877 0.379 -5.023 1.00 0.72 C ATOM 1051 CE LYS A 67 -7.571 0.960 -3.644 1.00 0.72 C ATOM 1052 NZ LYS A 67 -8.588 0.563 -2.625 1.00 0.54 N ATOM 0 H LYS A 67 -4.769 0.651 -8.876 1.00 0.87 H new ATOM 0 HA LYS A 67 -6.962 0.419 -8.751 1.00 0.89 H new ATOM 0 HB2 LYS A 67 -6.819 2.690 -6.739 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -8.272 1.774 -7.085 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -6.498 -0.259 -6.548 1.00 0.69 H new ATOM 0 HG3 LYS A 67 -5.875 1.006 -5.507 1.00 0.69 H new ATOM 0 HD2 LYS A 67 -8.815 0.796 -5.390 1.00 0.72 H new ATOM 0 HD3 LYS A 67 -8.019 -0.698 -4.937 1.00 0.72 H new ATOM 0 HE2 LYS A 67 -6.586 0.624 -3.321 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -7.531 2.047 -3.711 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -8.644 1.294 -1.888 1.00 0.54 H new ATOM 0 HZ2 LYS A 67 -9.516 0.460 -3.083 1.00 0.54 H new ATOM 0 HZ3 LYS A 67 -8.312 -0.343 -2.194 1.00 0.54 H new ATOM 1066 N GLY A 68 -6.491 2.863 -10.438 1.00 0.89 N ATOM 1067 CA GLY A 68 -6.961 3.797 -11.443 1.00 0.93 C ATOM 1068 C GLY A 68 -7.170 5.187 -10.877 1.00 0.94 C ATOM 1069 O GLY A 68 -7.997 5.954 -11.376 1.00 1.05 O ATOM 0 H GLY A 68 -5.509 2.603 -10.528 1.00 0.89 H new ATOM 0 HA2 GLY A 68 -6.240 3.843 -12.259 1.00 0.93 H new ATOM 0 HA3 GLY A 68 -7.898 3.433 -11.865 1.00 0.93 H new ATOM 1073 N LYS A 69 -6.425 5.511 -9.827 1.00 0.89 N ATOM 1074 CA LYS A 69 -6.537 6.810 -9.176 1.00 0.93 C ATOM 1075 C LYS A 69 -5.158 7.399 -8.895 1.00 0.96 C ATOM 1076 O LYS A 69 -4.150 6.949 -9.449 1.00 1.05 O ATOM 1077 CB LYS A 69 -7.310 6.676 -7.860 1.00 0.92 C ATOM 1078 CG LYS A 69 -8.339 5.556 -7.857 1.00 1.07 C ATOM 1079 CD LYS A 69 -8.831 5.255 -6.455 1.00 0.93 C ATOM 1080 CE LYS A 69 -9.804 6.313 -5.966 1.00 1.24 C ATOM 1081 NZ LYS A 69 -11.054 6.331 -6.770 1.00 1.50 N ATOM 0 H LYS A 69 -5.734 4.889 -9.407 1.00 0.89 H new ATOM 0 HA LYS A 69 -7.074 7.479 -9.849 1.00 0.93 H new ATOM 0 HB2 LYS A 69 -6.601 6.506 -7.050 1.00 0.92 H new ATOM 0 HB3 LYS A 69 -7.814 7.619 -7.649 1.00 0.92 H new ATOM 0 HG2 LYS A 69 -9.183 5.835 -8.488 1.00 1.07 H new ATOM 0 HG3 LYS A 69 -7.901 4.657 -8.290 1.00 1.07 H new ATOM 0 HD2 LYS A 69 -9.316 4.279 -6.441 1.00 0.93 H new ATOM 0 HD3 LYS A 69 -7.981 5.199 -5.775 1.00 0.93 H new ATOM 0 HE2 LYS A 69 -10.048 6.126 -4.920 1.00 1.24 H new ATOM 0 HE3 LYS A 69 -9.328 7.293 -6.012 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 -11.784 6.873 -6.265 1.00 1.50 H new ATOM 0 HZ2 LYS A 69 -10.868 6.776 -7.691 1.00 1.50 H new ATOM 0 HZ3 LYS A 69 -11.386 5.357 -6.917 1.00 1.50 H new ATOM 1095 N SER A 70 -5.129 8.401 -8.024 1.00 0.95 N ATOM 1096 CA SER A 70 -3.900 9.069 -7.635 1.00 1.00 C ATOM 1097 C SER A 70 -3.968 9.424 -6.152 1.00 0.93 C ATOM 1098 O SER A 70 -5.054 9.467 -5.571 1.00 0.89 O ATOM 1099 CB SER A 70 -3.692 10.330 -8.476 1.00 1.17 C ATOM 1100 OG SER A 70 -2.314 10.574 -8.712 1.00 1.46 O ATOM 0 H SER A 70 -5.963 8.772 -7.568 1.00 0.95 H new ATOM 0 HA SER A 70 -3.056 8.402 -7.807 1.00 1.00 H new ATOM 0 HB2 SER A 70 -4.212 10.224 -9.428 1.00 1.17 H new ATOM 0 HB3 SER A 70 -4.132 11.186 -7.965 1.00 1.17 H new ATOM 0 HG SER A 70 -2.213 11.385 -9.253 1.00 1.46 H new ATOM 1106 N LEU A 71 -2.811 9.662 -5.547 1.00 1.01 N ATOM 1107 CA LEU A 71 -2.724 9.998 -4.129 1.00 0.99 C ATOM 1108 C LEU A 71 -3.486 11.284 -3.797 1.00 1.00 C ATOM 1109 O LEU A 71 -3.080 12.384 -4.175 1.00 1.13 O ATOM 1110 CB LEU A 71 -1.256 10.127 -3.693 1.00 1.11 C ATOM 1111 CG LEU A 71 -0.450 11.234 -4.381 1.00 1.24 C ATOM 1112 CD1 LEU A 71 0.568 11.824 -3.420 1.00 1.35 C ATOM 1113 CD2 LEU A 71 0.234 10.706 -5.633 1.00 1.28 C ATOM 0 H LEU A 71 -1.909 9.628 -6.022 1.00 1.01 H new ATOM 0 HA LEU A 71 -3.191 9.183 -3.576 1.00 0.99 H new ATOM 0 HB2 LEU A 71 -1.230 10.300 -2.617 1.00 1.11 H new ATOM 0 HB3 LEU A 71 -0.758 9.175 -3.875 1.00 1.11 H new ATOM 0 HG LEU A 71 -1.139 12.024 -4.681 1.00 1.24 H new ATOM 0 HD11 LEU A 71 1.132 12.609 -3.924 1.00 1.35 H new ATOM 0 HD12 LEU A 71 0.052 12.245 -2.557 1.00 1.35 H new ATOM 0 HD13 LEU A 71 1.251 11.042 -3.088 1.00 1.35 H new ATOM 0 HD21 LEU A 71 0.800 11.509 -6.105 1.00 1.28 H new ATOM 0 HD22 LEU A 71 0.911 9.895 -5.363 1.00 1.28 H new ATOM 0 HD23 LEU A 71 -0.518 10.335 -6.329 1.00 1.28 H new ATOM 1125 N LYS A 72 -4.594 11.130 -3.084 1.00 0.95 N ATOM 1126 CA LYS A 72 -5.420 12.256 -2.681 1.00 0.99 C ATOM 1127 C LYS A 72 -6.475 11.801 -1.689 1.00 0.95 C ATOM 1128 O LYS A 72 -6.746 10.608 -1.560 1.00 0.92 O ATOM 1129 CB LYS A 72 -6.091 12.908 -3.893 1.00 1.02 C ATOM 1130 CG LYS A 72 -5.560 14.298 -4.197 1.00 1.22 C ATOM 1131 CD LYS A 72 -6.204 14.886 -5.438 1.00 1.29 C ATOM 1132 CE LYS A 72 -5.553 16.204 -5.832 1.00 1.62 C ATOM 1133 NZ LYS A 72 -4.076 16.072 -5.974 1.00 1.90 N ATOM 0 H LYS A 72 -4.943 10.224 -2.771 1.00 0.95 H new ATOM 0 HA LYS A 72 -4.775 12.996 -2.207 1.00 0.99 H new ATOM 0 HB2 LYS A 72 -5.946 12.272 -4.766 1.00 1.02 H new ATOM 0 HB3 LYS A 72 -7.165 12.967 -3.717 1.00 1.02 H new ATOM 0 HG2 LYS A 72 -5.746 14.953 -3.346 1.00 1.22 H new ATOM 0 HG3 LYS A 72 -4.480 14.253 -4.334 1.00 1.22 H new ATOM 0 HD2 LYS A 72 -6.122 14.178 -6.262 1.00 1.29 H new ATOM 0 HD3 LYS A 72 -7.267 15.044 -5.258 1.00 1.29 H new ATOM 0 HE2 LYS A 72 -5.979 16.552 -6.773 1.00 1.62 H new ATOM 0 HE3 LYS A 72 -5.780 16.960 -5.080 1.00 1.62 H new ATOM 0 HZ1 LYS A 72 -3.711 16.855 -6.553 1.00 1.90 H new ATOM 0 HZ2 LYS A 72 -3.633 16.101 -5.034 1.00 1.90 H new ATOM 0 HZ3 LYS A 72 -3.851 15.167 -6.435 1.00 1.90 H new ATOM 1147 N GLU A 73 -7.060 12.755 -0.989 1.00 1.00 N ATOM 1148 CA GLU A 73 -8.099 12.470 -0.012 1.00 1.01 C ATOM 1149 C GLU A 73 -9.469 12.712 -0.631 1.00 0.98 C ATOM 1150 O GLU A 73 -10.502 12.486 -0.002 1.00 1.01 O ATOM 1151 CB GLU A 73 -7.929 13.341 1.245 1.00 1.14 C ATOM 1152 CG GLU A 73 -6.774 14.335 1.178 1.00 1.33 C ATOM 1153 CD GLU A 73 -7.076 15.535 0.302 1.00 1.55 C ATOM 1154 OE1 GLU A 73 -7.015 15.398 -0.938 1.00 1.66 O ATOM 1155 OE2 GLU A 73 -7.367 16.617 0.850 1.00 1.98 O ATOM 0 H GLU A 73 -6.831 13.745 -1.079 1.00 1.00 H new ATOM 0 HA GLU A 73 -8.014 11.425 0.285 1.00 1.01 H new ATOM 0 HB2 GLU A 73 -8.854 13.891 1.418 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -7.780 12.689 2.105 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -6.538 14.678 2.185 1.00 1.33 H new ATOM 0 HG3 GLU A 73 -5.887 13.828 0.798 1.00 1.33 H new ATOM 1162 N MET A 74 -9.463 13.182 -1.871 1.00 1.01 N ATOM 1163 CA MET A 74 -10.692 13.469 -2.598 1.00 1.03 C ATOM 1164 C MET A 74 -10.473 13.284 -4.099 1.00 1.05 C ATOM 1165 O MET A 74 -10.683 14.203 -4.893 1.00 1.16 O ATOM 1166 CB MET A 74 -11.170 14.897 -2.292 1.00 1.15 C ATOM 1167 CG MET A 74 -10.117 15.970 -2.529 1.00 1.26 C ATOM 1168 SD MET A 74 -10.718 17.627 -2.150 1.00 1.65 S ATOM 1169 CE MET A 74 -10.499 17.668 -0.371 1.00 1.77 C ATOM 0 H MET A 74 -8.612 13.374 -2.399 1.00 1.01 H new ATOM 0 HA MET A 74 -11.464 12.771 -2.274 1.00 1.03 H new ATOM 0 HB2 MET A 74 -12.042 15.117 -2.908 1.00 1.15 H new ATOM 0 HB3 MET A 74 -11.494 14.945 -1.252 1.00 1.15 H new ATOM 0 HG2 MET A 74 -9.241 15.756 -1.916 1.00 1.26 H new ATOM 0 HG3 MET A 74 -9.794 15.934 -3.570 1.00 1.26 H new ATOM 0 HE1 MET A 74 -11.252 18.319 0.073 1.00 1.77 H new ATOM 0 HE2 MET A 74 -10.606 16.661 0.032 1.00 1.77 H new ATOM 0 HE3 MET A 74 -9.505 18.049 -0.135 1.00 1.77 H new ATOM 1179 N GLU A 75 -10.045 12.089 -4.486 1.00 1.07 N ATOM 1180 CA GLU A 75 -9.783 11.798 -5.890 1.00 1.14 C ATOM 1181 C GLU A 75 -11.055 11.323 -6.610 1.00 1.13 C ATOM 1182 O GLU A 75 -12.090 11.990 -6.553 1.00 1.31 O ATOM 1183 CB GLU A 75 -8.648 10.772 -6.024 1.00 1.16 C ATOM 1184 CG GLU A 75 -7.999 10.738 -7.408 1.00 1.28 C ATOM 1185 CD GLU A 75 -7.538 12.103 -7.894 1.00 1.49 C ATOM 1186 OE1 GLU A 75 -8.395 12.986 -8.115 1.00 1.65 O ATOM 1187 OE2 GLU A 75 -6.320 12.289 -8.077 1.00 1.89 O ATOM 0 H GLU A 75 -9.873 11.309 -3.851 1.00 1.07 H new ATOM 0 HA GLU A 75 -9.464 12.721 -6.374 1.00 1.14 H new ATOM 0 HB2 GLU A 75 -7.882 10.994 -5.281 1.00 1.16 H new ATOM 0 HB3 GLU A 75 -9.039 9.781 -5.793 1.00 1.16 H new ATOM 0 HG2 GLU A 75 -7.144 10.062 -7.384 1.00 1.28 H new ATOM 0 HG3 GLU A 75 -8.710 10.327 -8.124 1.00 1.28 H new ATOM 1194 N THR A 76 -10.971 10.184 -7.289 1.00 1.06 N ATOM 1195 CA THR A 76 -12.096 9.643 -8.037 1.00 1.09 C ATOM 1196 C THR A 76 -13.147 9.005 -7.118 1.00 1.04 C ATOM 1197 O THR A 76 -12.849 8.668 -5.970 1.00 0.98 O ATOM 1198 CB THR A 76 -11.593 8.614 -9.068 1.00 1.13 C ATOM 1199 OG1 THR A 76 -10.324 8.094 -8.652 1.00 1.07 O ATOM 1200 CG2 THR A 76 -11.449 9.245 -10.442 1.00 1.29 C ATOM 0 H THR A 76 -10.126 9.614 -7.335 1.00 1.06 H new ATOM 0 HA THR A 76 -12.579 10.472 -8.554 1.00 1.09 H new ATOM 0 HB THR A 76 -12.324 7.808 -9.129 1.00 1.13 H new ATOM 0 HG1 THR A 76 -9.863 7.701 -9.422 1.00 1.07 H new ATOM 0 HG21 THR A 76 -11.093 8.497 -11.150 1.00 1.29 H new ATOM 0 HG22 THR A 76 -12.416 9.625 -10.771 1.00 1.29 H new ATOM 0 HG23 THR A 76 -10.735 10.067 -10.392 1.00 1.29 H new ATOM 1208 N PRO A 77 -14.383 8.819 -7.640 1.00 1.12 N ATOM 1209 CA PRO A 77 -15.538 8.247 -6.913 1.00 1.14 C ATOM 1210 C PRO A 77 -15.242 6.999 -6.075 1.00 1.01 C ATOM 1211 O PRO A 77 -14.262 6.278 -6.305 1.00 0.94 O ATOM 1212 CB PRO A 77 -16.533 7.891 -8.032 1.00 1.26 C ATOM 1213 CG PRO A 77 -15.818 8.147 -9.317 1.00 1.36 C ATOM 1214 CD PRO A 77 -14.778 9.175 -9.007 1.00 1.24 C ATOM 0 HA PRO A 77 -15.896 8.968 -6.178 1.00 1.14 H new ATOM 0 HB2 PRO A 77 -16.844 6.849 -7.960 1.00 1.26 H new ATOM 0 HB3 PRO A 77 -17.435 8.499 -7.960 1.00 1.26 H new ATOM 0 HG2 PRO A 77 -15.363 7.234 -9.700 1.00 1.36 H new ATOM 0 HG3 PRO A 77 -16.506 8.505 -10.083 1.00 1.36 H new ATOM 0 HD2 PRO A 77 -13.938 9.124 -9.699 1.00 1.24 H new ATOM 0 HD3 PRO A 77 -15.178 10.188 -9.064 1.00 1.24 H new ATOM 1222 N LEU A 78 -16.142 6.742 -5.125 1.00 1.03 N ATOM 1223 CA LEU A 78 -16.033 5.603 -4.210 1.00 0.97 C ATOM 1224 C LEU A 78 -16.158 4.275 -4.952 1.00 0.95 C ATOM 1225 O LEU A 78 -15.484 3.303 -4.619 1.00 0.87 O ATOM 1226 CB LEU A 78 -17.116 5.687 -3.130 1.00 1.07 C ATOM 1227 CG LEU A 78 -17.287 7.059 -2.472 1.00 1.18 C ATOM 1228 CD1 LEU A 78 -18.441 7.034 -1.484 1.00 1.65 C ATOM 1229 CD2 LEU A 78 -16.005 7.490 -1.779 1.00 1.22 C ATOM 0 H LEU A 78 -16.969 7.318 -4.967 1.00 1.03 H new ATOM 0 HA LEU A 78 -15.047 5.646 -3.747 1.00 0.97 H new ATOM 0 HB2 LEU A 78 -18.068 5.394 -3.572 1.00 1.07 H new ATOM 0 HB3 LEU A 78 -16.887 4.957 -2.353 1.00 1.07 H new ATOM 0 HG LEU A 78 -17.513 7.785 -3.253 1.00 1.18 H new ATOM 0 HD11 LEU A 78 -18.549 8.017 -1.025 1.00 1.65 H new ATOM 0 HD12 LEU A 78 -19.362 6.775 -2.006 1.00 1.65 H new ATOM 0 HD13 LEU A 78 -18.242 6.293 -0.710 1.00 1.65 H new ATOM 0 HD21 LEU A 78 -16.151 8.467 -1.319 1.00 1.22 H new ATOM 0 HD22 LEU A 78 -15.745 6.762 -1.010 1.00 1.22 H new ATOM 0 HD23 LEU A 78 -15.199 7.550 -2.510 1.00 1.22 H new ATOM 1241 N SER A 79 -17.016 4.236 -5.964 1.00 1.07 N ATOM 1242 CA SER A 79 -17.210 3.022 -6.749 1.00 1.12 C ATOM 1243 C SER A 79 -15.940 2.695 -7.534 1.00 1.00 C ATOM 1244 O SER A 79 -15.748 1.579 -8.011 1.00 1.04 O ATOM 1245 CB SER A 79 -18.390 3.203 -7.700 1.00 1.31 C ATOM 1246 OG SER A 79 -19.514 3.739 -7.020 1.00 1.68 O ATOM 0 H SER A 79 -17.587 5.028 -6.260 1.00 1.07 H new ATOM 0 HA SER A 79 -17.425 2.192 -6.075 1.00 1.12 H new ATOM 0 HB2 SER A 79 -18.105 3.866 -8.517 1.00 1.31 H new ATOM 0 HB3 SER A 79 -18.653 2.243 -8.145 1.00 1.31 H new ATOM 0 HG SER A 79 -19.830 3.095 -6.353 1.00 1.68 H new ATOM 1252 N ALA A 80 -15.071 3.688 -7.646 1.00 0.93 N ATOM 1253 CA ALA A 80 -13.812 3.537 -8.350 1.00 0.88 C ATOM 1254 C ALA A 80 -12.661 3.447 -7.351 1.00 0.74 C ATOM 1255 O ALA A 80 -11.514 3.751 -7.669 1.00 0.81 O ATOM 1256 CB ALA A 80 -13.608 4.700 -9.314 1.00 1.02 C ATOM 0 H ALA A 80 -15.220 4.617 -7.252 1.00 0.93 H new ATOM 0 HA ALA A 80 -13.834 2.614 -8.929 1.00 0.88 H new ATOM 0 HB1 ALA A 80 -12.660 4.577 -9.837 1.00 1.02 H new ATOM 0 HB2 ALA A 80 -14.422 4.719 -10.038 1.00 1.02 H new ATOM 0 HB3 ALA A 80 -13.596 5.637 -8.757 1.00 1.02 H new ATOM 1262 N LEU A 81 -12.982 3.045 -6.127 1.00 0.66 N ATOM 1263 CA LEU A 81 -11.978 2.901 -5.079 1.00 0.55 C ATOM 1264 C LEU A 81 -11.502 1.458 -4.999 1.00 0.52 C ATOM 1265 O LEU A 81 -10.847 1.060 -4.036 1.00 0.56 O ATOM 1266 CB LEU A 81 -12.554 3.322 -3.722 1.00 0.59 C ATOM 1267 CG LEU A 81 -11.826 4.462 -3.002 1.00 0.59 C ATOM 1268 CD1 LEU A 81 -10.318 4.246 -3.006 1.00 0.49 C ATOM 1269 CD2 LEU A 81 -12.186 5.802 -3.623 1.00 0.75 C ATOM 0 H LEU A 81 -13.931 2.813 -5.835 1.00 0.66 H new ATOM 0 HA LEU A 81 -11.135 3.546 -5.325 1.00 0.55 H new ATOM 0 HB2 LEU A 81 -13.593 3.617 -3.868 1.00 0.59 H new ATOM 0 HB3 LEU A 81 -12.559 2.451 -3.067 1.00 0.59 H new ATOM 0 HG LEU A 81 -12.154 4.467 -1.963 1.00 0.59 H new ATOM 0 HD11 LEU A 81 -9.831 5.072 -2.488 1.00 0.49 H new ATOM 0 HD12 LEU A 81 -10.083 3.310 -2.499 1.00 0.49 H new ATOM 0 HD13 LEU A 81 -9.960 4.201 -4.034 1.00 0.49 H new ATOM 0 HD21 LEU A 81 -11.659 6.599 -3.098 1.00 0.75 H new ATOM 0 HD22 LEU A 81 -11.896 5.806 -4.674 1.00 0.75 H new ATOM 0 HD23 LEU A 81 -13.261 5.963 -3.543 1.00 0.75 H new ATOM 1281 N GLY A 82 -11.831 0.679 -6.018 1.00 0.59 N ATOM 1282 CA GLY A 82 -11.450 -0.716 -6.036 1.00 0.62 C ATOM 1283 C GLY A 82 -12.484 -1.576 -5.343 1.00 0.63 C ATOM 1284 O GLY A 82 -12.256 -2.057 -4.233 1.00 0.64 O ATOM 0 H GLY A 82 -12.357 0.990 -6.835 1.00 0.59 H new ATOM 0 HA2 GLY A 82 -11.328 -1.049 -7.067 1.00 0.62 H new ATOM 0 HA3 GLY A 82 -10.484 -0.838 -5.546 1.00 0.62 H new ATOM 1288 N MET A 83 -13.628 -1.756 -5.994 1.00 0.84 N ATOM 1289 CA MET A 83 -14.718 -2.552 -5.435 1.00 1.01 C ATOM 1290 C MET A 83 -14.376 -4.042 -5.466 1.00 0.98 C ATOM 1291 O MET A 83 -14.821 -4.786 -6.343 1.00 1.26 O ATOM 1292 CB MET A 83 -16.028 -2.271 -6.188 1.00 1.34 C ATOM 1293 CG MET A 83 -15.910 -2.354 -7.705 1.00 1.54 C ATOM 1294 SD MET A 83 -17.337 -1.657 -8.557 1.00 2.03 S ATOM 1295 CE MET A 83 -17.014 -2.200 -10.233 1.00 2.27 C ATOM 0 H MET A 83 -13.826 -1.360 -6.913 1.00 0.84 H new ATOM 0 HA MET A 83 -14.855 -2.264 -4.393 1.00 1.01 H new ATOM 0 HB2 MET A 83 -16.784 -2.982 -5.855 1.00 1.34 H new ATOM 0 HB3 MET A 83 -16.383 -1.277 -5.917 1.00 1.34 H new ATOM 0 HG2 MET A 83 -15.010 -1.828 -8.024 1.00 1.54 H new ATOM 0 HG3 MET A 83 -15.791 -3.397 -7.999 1.00 1.54 H new ATOM 0 HE1 MET A 83 -17.810 -1.848 -10.889 1.00 2.27 H new ATOM 0 HE2 MET A 83 -16.060 -1.794 -10.570 1.00 2.27 H new ATOM 0 HE3 MET A 83 -16.975 -3.289 -10.261 1.00 2.27 H new ATOM 1305 N GLN A 84 -13.561 -4.453 -4.505 1.00 0.89 N ATOM 1306 CA GLN A 84 -13.119 -5.835 -4.383 1.00 0.89 C ATOM 1307 C GLN A 84 -12.431 -6.032 -3.039 1.00 0.84 C ATOM 1308 O GLN A 84 -12.538 -5.177 -2.162 1.00 1.06 O ATOM 1309 CB GLN A 84 -12.166 -6.192 -5.526 1.00 0.92 C ATOM 1310 CG GLN A 84 -11.090 -5.148 -5.774 1.00 0.99 C ATOM 1311 CD GLN A 84 -10.556 -5.190 -7.190 1.00 1.05 C ATOM 1312 OE1 GLN A 84 -9.560 -5.855 -7.474 1.00 1.20 O ATOM 1313 NE2 GLN A 84 -11.216 -4.479 -8.088 1.00 1.38 N ATOM 0 H GLN A 84 -13.186 -3.835 -3.785 1.00 0.89 H new ATOM 0 HA GLN A 84 -13.985 -6.494 -4.441 1.00 0.89 H new ATOM 0 HB2 GLN A 84 -11.689 -7.147 -5.305 1.00 0.92 H new ATOM 0 HB3 GLN A 84 -12.744 -6.329 -6.440 1.00 0.92 H new ATOM 0 HG2 GLN A 84 -11.496 -4.157 -5.572 1.00 0.99 H new ATOM 0 HG3 GLN A 84 -10.269 -5.304 -5.075 1.00 0.99 H new ATOM 0 HE21 GLN A 84 -12.037 -3.942 -7.810 1.00 1.38 H new ATOM 0 HE22 GLN A 84 -10.904 -4.468 -9.059 1.00 1.38 H new ATOM 1322 N ASN A 85 -11.713 -7.136 -2.880 1.00 0.74 N ATOM 1323 CA ASN A 85 -11.024 -7.414 -1.626 1.00 0.78 C ATOM 1324 C ASN A 85 -9.742 -6.596 -1.501 1.00 0.72 C ATOM 1325 O ASN A 85 -8.637 -7.127 -1.607 1.00 0.98 O ATOM 1326 CB ASN A 85 -10.715 -8.910 -1.458 1.00 0.91 C ATOM 1327 CG ASN A 85 -9.959 -9.525 -2.625 1.00 0.91 C ATOM 1328 OD1 ASN A 85 -10.229 -9.230 -3.787 1.00 1.15 O ATOM 1329 ND2 ASN A 85 -9.008 -10.394 -2.317 1.00 1.09 N ATOM 0 H ASN A 85 -11.593 -7.850 -3.599 1.00 0.74 H new ATOM 0 HA ASN A 85 -11.704 -7.119 -0.826 1.00 0.78 H new ATOM 0 HB2 ASN A 85 -10.131 -9.049 -0.548 1.00 0.91 H new ATOM 0 HB3 ASN A 85 -11.652 -9.450 -1.322 1.00 0.91 H new ATOM 0 HD21 ASN A 85 -8.470 -10.845 -3.057 1.00 1.09 H new ATOM 0 HD22 ASN A 85 -8.814 -10.612 -1.340 1.00 1.09 H new ATOM 1336 N GLY A 86 -9.903 -5.294 -1.310 1.00 0.62 N ATOM 1337 CA GLY A 86 -8.770 -4.406 -1.141 1.00 0.57 C ATOM 1338 C GLY A 86 -8.107 -4.006 -2.442 1.00 0.51 C ATOM 1339 O GLY A 86 -7.890 -2.813 -2.683 1.00 0.49 O ATOM 0 H GLY A 86 -10.811 -4.832 -1.269 1.00 0.62 H new ATOM 0 HA2 GLY A 86 -9.100 -3.507 -0.621 1.00 0.57 H new ATOM 0 HA3 GLY A 86 -8.032 -4.891 -0.502 1.00 0.57 H new ATOM 1343 N CYS A 87 -7.795 -5.009 -3.266 1.00 0.59 N ATOM 1344 CA CYS A 87 -7.127 -4.819 -4.553 1.00 0.62 C ATOM 1345 C CYS A 87 -5.628 -4.630 -4.326 1.00 0.65 C ATOM 1346 O CYS A 87 -5.059 -5.206 -3.394 1.00 0.68 O ATOM 1347 CB CYS A 87 -7.719 -3.637 -5.337 1.00 0.62 C ATOM 1348 SG CYS A 87 -7.389 -3.687 -7.116 1.00 0.79 S ATOM 0 H CYS A 87 -8.002 -5.985 -3.055 1.00 0.59 H new ATOM 0 HA CYS A 87 -7.290 -5.710 -5.159 1.00 0.62 H new ATOM 0 HB2 CYS A 87 -8.797 -3.615 -5.179 1.00 0.62 H new ATOM 0 HB3 CYS A 87 -7.318 -2.709 -4.930 1.00 0.62 H new ATOM 0 HG CYS A 87 -8.078 -4.647 -7.658 1.00 0.79 H new ATOM 1354 N ARG A 88 -4.983 -3.835 -5.166 1.00 0.69 N ATOM 1355 CA ARG A 88 -3.549 -3.604 -5.046 1.00 0.77 C ATOM 1356 C ARG A 88 -3.235 -2.115 -5.093 1.00 0.75 C ATOM 1357 O ARG A 88 -3.952 -1.350 -5.736 1.00 0.72 O ATOM 1358 CB ARG A 88 -2.798 -4.328 -6.174 1.00 0.93 C ATOM 1359 CG ARG A 88 -2.804 -5.848 -6.055 1.00 1.03 C ATOM 1360 CD ARG A 88 -4.052 -6.467 -6.673 1.00 1.11 C ATOM 1361 NE ARG A 88 -4.076 -6.345 -8.133 1.00 1.27 N ATOM 1362 CZ ARG A 88 -5.153 -6.581 -8.889 1.00 1.47 C ATOM 1363 NH1 ARG A 88 -6.305 -6.934 -8.327 1.00 1.55 N ATOM 1364 NH2 ARG A 88 -5.076 -6.466 -10.209 1.00 1.74 N ATOM 0 H ARG A 88 -5.428 -3.339 -5.938 1.00 0.69 H new ATOM 0 HA ARG A 88 -3.221 -3.999 -4.084 1.00 0.77 H new ATOM 0 HB2 ARG A 88 -3.243 -4.048 -7.129 1.00 0.93 H new ATOM 0 HB3 ARG A 88 -1.765 -3.980 -6.189 1.00 0.93 H new ATOM 0 HG2 ARG A 88 -1.919 -6.253 -6.545 1.00 1.03 H new ATOM 0 HG3 ARG A 88 -2.743 -6.129 -5.004 1.00 1.03 H new ATOM 0 HD2 ARG A 88 -4.105 -7.521 -6.399 1.00 1.11 H new ATOM 0 HD3 ARG A 88 -4.937 -5.985 -6.257 1.00 1.11 H new ATOM 0 HE ARG A 88 -3.216 -6.062 -8.603 1.00 1.27 H new ATOM 0 HH11 ARG A 88 -6.371 -7.026 -7.313 1.00 1.55 H new ATOM 0 HH12 ARG A 88 -7.123 -7.113 -8.910 1.00 1.55 H new ATOM 0 HH21 ARG A 88 -4.195 -6.197 -10.647 1.00 1.74 H new ATOM 0 HH22 ARG A 88 -5.898 -6.646 -10.785 1.00 1.74 H new ATOM 1378 N VAL A 89 -2.182 -1.703 -4.392 1.00 0.78 N ATOM 1379 CA VAL A 89 -1.757 -0.308 -4.381 1.00 0.79 C ATOM 1380 C VAL A 89 -0.235 -0.220 -4.355 1.00 0.92 C ATOM 1381 O VAL A 89 0.424 -0.967 -3.629 1.00 0.99 O ATOM 1382 CB VAL A 89 -2.328 0.496 -3.186 1.00 0.70 C ATOM 1383 CG1 VAL A 89 -3.799 0.822 -3.394 1.00 0.61 C ATOM 1384 CG2 VAL A 89 -2.122 -0.245 -1.872 1.00 0.69 C ATOM 0 H VAL A 89 -1.605 -2.321 -3.821 1.00 0.78 H new ATOM 0 HA VAL A 89 -2.153 0.136 -5.294 1.00 0.79 H new ATOM 0 HB VAL A 89 -1.778 1.435 -3.133 1.00 0.70 H new ATOM 0 HG11 VAL A 89 -4.171 1.386 -2.539 1.00 0.61 H new ATOM 0 HG12 VAL A 89 -3.915 1.417 -4.300 1.00 0.61 H new ATOM 0 HG13 VAL A 89 -4.366 -0.103 -3.492 1.00 0.61 H new ATOM 0 HG21 VAL A 89 -2.533 0.345 -1.053 1.00 0.69 H new ATOM 0 HG22 VAL A 89 -2.629 -1.209 -1.915 1.00 0.69 H new ATOM 0 HG23 VAL A 89 -1.056 -0.402 -1.706 1.00 0.69 H new ATOM 1394 N MET A 90 0.317 0.683 -5.151 1.00 0.97 N ATOM 1395 CA MET A 90 1.758 0.865 -5.217 1.00 1.10 C ATOM 1396 C MET A 90 2.091 2.349 -5.195 1.00 1.14 C ATOM 1397 O MET A 90 1.336 3.175 -5.720 1.00 1.13 O ATOM 1398 CB MET A 90 2.336 0.189 -6.473 1.00 1.21 C ATOM 1399 CG MET A 90 2.907 1.154 -7.500 1.00 1.49 C ATOM 1400 SD MET A 90 3.756 0.308 -8.847 1.00 1.66 S ATOM 1401 CE MET A 90 4.539 1.688 -9.676 1.00 2.09 C ATOM 0 H MET A 90 -0.214 1.303 -5.762 1.00 0.97 H new ATOM 0 HA MET A 90 2.214 0.392 -4.347 1.00 1.10 H new ATOM 0 HB2 MET A 90 3.120 -0.505 -6.169 1.00 1.21 H new ATOM 0 HB3 MET A 90 1.552 -0.403 -6.945 1.00 1.21 H new ATOM 0 HG2 MET A 90 2.101 1.763 -7.909 1.00 1.49 H new ATOM 0 HG3 MET A 90 3.602 1.834 -7.007 1.00 1.49 H new ATOM 0 HE1 MET A 90 5.104 1.324 -10.534 1.00 2.09 H new ATOM 0 HE2 MET A 90 3.776 2.389 -10.015 1.00 2.09 H new ATOM 0 HE3 MET A 90 5.214 2.192 -8.985 1.00 2.09 H new ATOM 1411 N LEU A 91 3.212 2.687 -4.580 1.00 1.21 N ATOM 1412 CA LEU A 91 3.640 4.074 -4.484 1.00 1.27 C ATOM 1413 C LEU A 91 5.071 4.251 -4.969 1.00 1.41 C ATOM 1414 O LEU A 91 5.908 3.356 -4.834 1.00 1.47 O ATOM 1415 CB LEU A 91 3.469 4.635 -3.045 1.00 1.22 C ATOM 1416 CG LEU A 91 4.404 4.111 -1.925 1.00 1.27 C ATOM 1417 CD1 LEU A 91 4.501 2.598 -1.924 1.00 1.25 C ATOM 1418 CD2 LEU A 91 5.791 4.741 -2.007 1.00 1.42 C ATOM 0 H LEU A 91 3.844 2.019 -4.139 1.00 1.21 H new ATOM 0 HA LEU A 91 2.989 4.652 -5.141 1.00 1.27 H new ATOM 0 HB2 LEU A 91 3.589 5.717 -3.096 1.00 1.22 H new ATOM 0 HB3 LEU A 91 2.442 4.442 -2.735 1.00 1.22 H new ATOM 0 HG LEU A 91 3.953 4.412 -0.979 1.00 1.27 H new ATOM 0 HD11 LEU A 91 5.166 2.277 -1.123 1.00 1.25 H new ATOM 0 HD12 LEU A 91 3.511 2.170 -1.767 1.00 1.25 H new ATOM 0 HD13 LEU A 91 4.895 2.258 -2.882 1.00 1.25 H new ATOM 0 HD21 LEU A 91 6.417 4.348 -1.206 1.00 1.42 H new ATOM 0 HD22 LEU A 91 6.243 4.503 -2.970 1.00 1.42 H new ATOM 0 HD23 LEU A 91 5.706 5.823 -1.904 1.00 1.42 H new ATOM 1430 N ILE A 92 5.334 5.412 -5.544 1.00 1.50 N ATOM 1431 CA ILE A 92 6.658 5.753 -6.032 1.00 1.65 C ATOM 1432 C ILE A 92 7.216 6.896 -5.192 1.00 1.71 C ATOM 1433 O ILE A 92 7.032 8.069 -5.510 1.00 1.89 O ATOM 1434 CB ILE A 92 6.631 6.164 -7.520 1.00 1.74 C ATOM 1435 CG1 ILE A 92 5.797 5.171 -8.335 1.00 1.66 C ATOM 1436 CG2 ILE A 92 8.046 6.253 -8.073 1.00 1.96 C ATOM 1437 CD1 ILE A 92 5.556 5.609 -9.762 1.00 1.79 C ATOM 0 H ILE A 92 4.637 6.143 -5.685 1.00 1.50 H new ATOM 0 HA ILE A 92 7.294 4.872 -5.946 1.00 1.65 H new ATOM 0 HB ILE A 92 6.168 7.148 -7.598 1.00 1.74 H new ATOM 0 HG12 ILE A 92 6.302 4.205 -8.341 1.00 1.66 H new ATOM 0 HG13 ILE A 92 4.836 5.026 -7.841 1.00 1.66 H new ATOM 0 HG21 ILE A 92 8.009 6.544 -9.123 1.00 1.96 H new ATOM 0 HG22 ILE A 92 8.610 6.997 -7.510 1.00 1.96 H new ATOM 0 HG23 ILE A 92 8.534 5.282 -7.982 1.00 1.96 H new ATOM 0 HD11 ILE A 92 4.959 4.857 -10.278 1.00 1.79 H new ATOM 0 HD12 ILE A 92 5.023 6.560 -9.766 1.00 1.79 H new ATOM 0 HD13 ILE A 92 6.512 5.726 -10.273 1.00 1.79 H new ATOM 1449 N GLY A 93 7.861 6.549 -4.093 1.00 1.73 N ATOM 1450 CA GLY A 93 8.414 7.558 -3.216 1.00 1.80 C ATOM 1451 C GLY A 93 9.217 6.957 -2.086 1.00 1.84 C ATOM 1452 O GLY A 93 9.773 5.865 -2.225 1.00 1.89 O ATOM 0 H GLY A 93 8.012 5.587 -3.791 1.00 1.73 H new ATOM 0 HA2 GLY A 93 9.049 8.230 -3.793 1.00 1.80 H new ATOM 0 HA3 GLY A 93 7.605 8.161 -2.803 1.00 1.80 H new ATOM 1456 N GLU A 94 9.250 7.650 -0.960 1.00 1.88 N ATOM 1457 CA GLU A 94 10.006 7.204 0.199 1.00 1.97 C ATOM 1458 C GLU A 94 9.100 6.560 1.243 1.00 1.80 C ATOM 1459 O GLU A 94 8.525 7.237 2.095 1.00 1.84 O ATOM 1460 CB GLU A 94 10.758 8.384 0.810 1.00 2.22 C ATOM 1461 CG GLU A 94 11.830 8.949 -0.104 1.00 2.66 C ATOM 1462 CD GLU A 94 13.170 8.275 0.091 1.00 2.63 C ATOM 1463 OE1 GLU A 94 13.244 7.031 -0.020 1.00 2.85 O ATOM 1464 OE2 GLU A 94 14.157 8.989 0.368 1.00 3.03 O ATOM 0 H GLU A 94 8.757 8.532 -0.823 1.00 1.88 H new ATOM 0 HA GLU A 94 10.720 6.449 -0.131 1.00 1.97 H new ATOM 0 HB2 GLU A 94 10.046 9.172 1.055 1.00 2.22 H new ATOM 0 HB3 GLU A 94 11.218 8.068 1.746 1.00 2.22 H new ATOM 0 HG2 GLU A 94 11.516 8.834 -1.142 1.00 2.66 H new ATOM 0 HG3 GLU A 94 11.934 10.018 0.081 1.00 2.66 H new ATOM 1471 N LYS A 95 8.967 5.244 1.160 1.00 1.82 N ATOM 1472 CA LYS A 95 8.149 4.498 2.100 1.00 1.72 C ATOM 1473 C LYS A 95 9.053 3.801 3.106 1.00 1.77 C ATOM 1474 O LYS A 95 9.553 2.706 2.853 1.00 1.96 O ATOM 1475 CB LYS A 95 7.277 3.476 1.362 1.00 1.81 C ATOM 1476 CG LYS A 95 6.301 2.730 2.258 1.00 1.79 C ATOM 1477 CD LYS A 95 5.539 1.673 1.477 1.00 2.06 C ATOM 1478 CE LYS A 95 4.564 0.906 2.353 1.00 2.15 C ATOM 1479 NZ LYS A 95 5.234 0.256 3.507 1.00 2.38 N ATOM 0 H LYS A 95 9.418 4.670 0.447 1.00 1.82 H new ATOM 0 HA LYS A 95 7.487 5.186 2.626 1.00 1.72 H new ATOM 0 HB2 LYS A 95 6.717 3.990 0.581 1.00 1.81 H new ATOM 0 HB3 LYS A 95 7.924 2.752 0.867 1.00 1.81 H new ATOM 0 HG2 LYS A 95 6.843 2.260 3.079 1.00 1.79 H new ATOM 0 HG3 LYS A 95 5.599 3.435 2.702 1.00 1.79 H new ATOM 0 HD2 LYS A 95 4.995 2.148 0.661 1.00 2.06 H new ATOM 0 HD3 LYS A 95 6.246 0.976 1.026 1.00 2.06 H new ATOM 0 HE2 LYS A 95 3.795 1.586 2.718 1.00 2.15 H new ATOM 0 HE3 LYS A 95 4.060 0.147 1.754 1.00 2.15 H new ATOM 0 HZ1 LYS A 95 4.849 -0.701 3.638 1.00 2.38 H new ATOM 0 HZ2 LYS A 95 6.257 0.197 3.326 1.00 2.38 H new ATOM 0 HZ3 LYS A 95 5.066 0.817 4.367 1.00 2.38 H new ATOM 1493 N SER A 96 9.281 4.453 4.233 1.00 1.80 N ATOM 1494 CA SER A 96 10.139 3.906 5.270 1.00 1.92 C ATOM 1495 C SER A 96 9.355 3.658 6.557 1.00 1.83 C ATOM 1496 O SER A 96 8.162 3.950 6.632 1.00 1.95 O ATOM 1497 CB SER A 96 11.293 4.872 5.535 1.00 2.15 C ATOM 1498 OG SER A 96 11.833 5.363 4.317 1.00 2.38 O ATOM 0 H SER A 96 8.882 5.365 4.454 1.00 1.80 H new ATOM 0 HA SER A 96 10.533 2.949 4.928 1.00 1.92 H new ATOM 0 HB2 SER A 96 10.942 5.705 6.144 1.00 2.15 H new ATOM 0 HB3 SER A 96 12.072 4.366 6.105 1.00 2.15 H new ATOM 0 HG SER A 96 12.569 5.981 4.511 1.00 2.38 H new ATOM 1504 N ASN A 97 10.033 3.110 7.557 1.00 1.89 N ATOM 1505 CA ASN A 97 9.426 2.822 8.848 1.00 1.93 C ATOM 1506 C ASN A 97 10.513 2.578 9.874 1.00 2.29 C ATOM 1507 O ASN A 97 11.201 1.543 9.771 1.00 2.53 O ATOM 1508 CB ASN A 97 8.507 1.600 8.765 1.00 1.89 C ATOM 1509 CG ASN A 97 7.939 1.192 10.115 1.00 2.00 C ATOM 1510 OD1 ASN A 97 8.432 0.263 10.759 1.00 2.24 O ATOM 1511 ND2 ASN A 97 6.893 1.881 10.553 1.00 1.96 N ATOM 1512 OXT ASN A 97 10.696 3.438 10.756 1.00 2.61 O ATOM 0 H ASN A 97 11.018 2.853 7.495 1.00 1.89 H new ATOM 0 HA ASN A 97 8.823 3.680 9.145 1.00 1.93 H new ATOM 0 HB2 ASN A 97 7.686 1.815 8.081 1.00 1.89 H new ATOM 0 HB3 ASN A 97 9.062 0.763 8.342 1.00 1.89 H new ATOM 0 HD21 ASN A 97 6.469 1.648 11.451 1.00 1.96 H new ATOM 0 HD22 ASN A 97 6.513 2.643 9.992 1.00 1.96 H new ATOM 1609 N ARG B 189 16.201 -0.691 4.350 1.00 2.02 N ATOM 1610 CA ARG B 189 16.099 -1.529 3.157 1.00 1.77 C ATOM 1611 C ARG B 189 16.168 -0.718 1.866 1.00 1.33 C ATOM 1612 O ARG B 189 15.151 -0.273 1.333 1.00 1.67 O ATOM 1613 CB ARG B 189 14.819 -2.361 3.201 1.00 2.37 C ATOM 1614 CG ARG B 189 14.874 -3.462 4.237 1.00 3.12 C ATOM 1615 CD ARG B 189 13.493 -3.995 4.563 1.00 3.82 C ATOM 1616 NE ARG B 189 13.481 -5.452 4.629 1.00 4.33 N ATOM 1617 CZ ARG B 189 13.233 -6.156 5.729 1.00 4.83 C ATOM 1618 NH1 ARG B 189 13.023 -5.543 6.890 1.00 4.91 N ATOM 1619 NH2 ARG B 189 13.183 -7.480 5.659 1.00 5.48 N ATOM 0 HA ARG B 189 16.961 -2.196 3.158 1.00 1.77 H new ATOM 0 HB2 ARG B 189 13.973 -1.708 3.415 1.00 2.37 H new ATOM 0 HB3 ARG B 189 14.642 -2.800 2.219 1.00 2.37 H new ATOM 0 HG2 ARG B 189 15.501 -4.275 3.871 1.00 3.12 H new ATOM 0 HG3 ARG B 189 15.342 -3.083 5.146 1.00 3.12 H new ATOM 0 HD2 ARG B 189 13.160 -3.584 5.516 1.00 3.82 H new ATOM 0 HD3 ARG B 189 12.785 -3.659 3.806 1.00 3.82 H new ATOM 0 HE ARG B 189 13.677 -5.967 3.771 1.00 4.33 H new ATOM 0 HH11 ARG B 189 13.051 -4.525 6.942 1.00 4.91 H new ATOM 0 HH12 ARG B 189 12.833 -6.091 7.729 1.00 4.91 H new ATOM 0 HH21 ARG B 189 13.334 -7.950 4.766 1.00 5.48 H new ATOM 0 HH22 ARG B 189 12.993 -8.028 6.498 1.00 5.48 H new ATOM 1633 N GLY B 190 17.382 -0.540 1.370 1.00 1.17 N ATOM 1634 CA GLY B 190 17.585 0.197 0.144 1.00 1.54 C ATOM 1635 C GLY B 190 18.717 -0.388 -0.671 1.00 1.70 C ATOM 1636 O GLY B 190 19.635 0.326 -1.076 1.00 1.97 O ATOM 0 H GLY B 190 18.236 -0.896 1.799 1.00 1.17 H new ATOM 0 HA2 GLY B 190 16.668 0.187 -0.445 1.00 1.54 H new ATOM 0 HA3 GLY B 190 17.803 1.239 0.376 1.00 1.54 H new ATOM 1640 N GLY B 191 18.661 -1.696 -0.883 1.00 1.91 N ATOM 1641 CA GLY B 191 19.694 -2.379 -1.639 1.00 2.36 C ATOM 1642 C GLY B 191 19.953 -3.774 -1.112 1.00 2.17 C ATOM 1643 O GLY B 191 19.195 -4.699 -1.396 1.00 2.71 O ATOM 0 H GLY B 191 17.913 -2.300 -0.542 1.00 1.91 H new ATOM 0 HA2 GLY B 191 19.399 -2.436 -2.687 1.00 2.36 H new ATOM 0 HA3 GLY B 191 20.616 -1.799 -1.599 1.00 2.36 H new ATOM 1647 N TYR B 192 21.023 -3.929 -0.342 1.00 1.71 N ATOM 1648 CA TYR B 192 21.369 -5.227 0.226 1.00 1.86 C ATOM 1649 C TYR B 192 20.633 -5.477 1.533 1.00 1.87 C ATOM 1650 O TYR B 192 20.027 -6.531 1.726 1.00 2.21 O ATOM 1651 CB TYR B 192 22.875 -5.320 0.469 1.00 1.91 C ATOM 1652 CG TYR B 192 23.650 -5.821 -0.723 1.00 2.45 C ATOM 1653 CD1 TYR B 192 23.176 -5.635 -2.014 1.00 2.95 C ATOM 1654 CD2 TYR B 192 24.864 -6.470 -0.555 1.00 2.80 C ATOM 1655 CE1 TYR B 192 23.887 -6.085 -3.103 1.00 3.62 C ATOM 1656 CE2 TYR B 192 25.580 -6.924 -1.641 1.00 3.41 C ATOM 1657 CZ TYR B 192 25.088 -6.727 -2.911 1.00 3.77 C ATOM 1658 OH TYR B 192 25.799 -7.173 -3.994 1.00 4.48 O ATOM 0 H TYR B 192 21.665 -3.175 -0.097 1.00 1.71 H new ATOM 0 HA TYR B 192 21.067 -5.988 -0.494 1.00 1.86 H new ATOM 0 HB2 TYR B 192 23.251 -4.336 0.748 1.00 1.91 H new ATOM 0 HB3 TYR B 192 23.058 -5.983 1.315 1.00 1.91 H new ATOM 0 HD1 TYR B 192 22.234 -5.129 -2.167 1.00 2.95 H new ATOM 0 HD2 TYR B 192 25.254 -6.622 0.441 1.00 2.80 H new ATOM 0 HE1 TYR B 192 23.504 -5.935 -4.102 1.00 3.62 H new ATOM 0 HE2 TYR B 192 26.522 -7.432 -1.496 1.00 3.41 H new ATOM 0 HH TYR B 192 26.292 -7.984 -3.750 1.00 4.48 H new ATOM 1668 N ASP B 193 20.697 -4.507 2.429 1.00 2.08 N ATOM 1669 CA ASP B 193 20.050 -4.622 3.730 1.00 2.57 C ATOM 1670 C ASP B 193 19.704 -3.242 4.276 1.00 2.39 C ATOM 1671 O ASP B 193 18.565 -2.985 4.661 1.00 2.59 O ATOM 1672 CB ASP B 193 20.963 -5.395 4.699 1.00 3.18 C ATOM 1673 CG ASP B 193 20.843 -4.953 6.146 1.00 3.84 C ATOM 1674 OD1 ASP B 193 19.805 -5.223 6.782 1.00 4.22 O ATOM 1675 OD2 ASP B 193 21.811 -4.353 6.664 1.00 4.14 O ATOM 0 H ASP B 193 21.192 -3.627 2.281 1.00 2.08 H new ATOM 0 HA ASP B 193 19.118 -5.177 3.621 1.00 2.57 H new ATOM 0 HB2 ASP B 193 20.728 -6.457 4.634 1.00 3.18 H new ATOM 0 HB3 ASP B 193 21.998 -5.277 4.379 1.00 3.18 H new ATOM 1680 N VAL B 194 20.683 -2.345 4.289 1.00 2.39 N ATOM 1681 CA VAL B 194 20.452 -0.991 4.778 1.00 2.62 C ATOM 1682 C VAL B 194 21.538 -0.033 4.289 1.00 2.80 C ATOM 1683 O VAL B 194 21.277 1.149 4.063 1.00 3.15 O ATOM 1684 CB VAL B 194 20.360 -0.947 6.329 1.00 3.43 C ATOM 1685 CG1 VAL B 194 21.735 -1.028 6.978 1.00 3.97 C ATOM 1686 CG2 VAL B 194 19.623 0.299 6.791 1.00 3.78 C ATOM 0 H VAL B 194 21.635 -2.528 3.970 1.00 2.39 H new ATOM 0 HA VAL B 194 19.493 -0.667 4.373 1.00 2.62 H new ATOM 0 HB VAL B 194 19.794 -1.823 6.646 1.00 3.43 H new ATOM 0 HG11 VAL B 194 21.628 -0.994 8.062 1.00 3.97 H new ATOM 0 HG12 VAL B 194 22.219 -1.961 6.690 1.00 3.97 H new ATOM 0 HG13 VAL B 194 22.344 -0.187 6.647 1.00 3.97 H new ATOM 0 HG21 VAL B 194 19.571 0.308 7.880 1.00 3.78 H new ATOM 0 HG22 VAL B 194 20.155 1.185 6.446 1.00 3.78 H new ATOM 0 HG23 VAL B 194 18.614 0.298 6.379 1.00 3.78 H new ATOM 1696 N GLU B 195 22.747 -0.548 4.099 1.00 2.75 N ATOM 1697 CA GLU B 195 23.860 0.275 3.656 1.00 3.12 C ATOM 1698 C GLU B 195 23.955 0.346 2.135 1.00 2.88 C ATOM 1699 O GLU B 195 23.139 -0.236 1.419 1.00 2.39 O ATOM 1700 CB GLU B 195 25.177 -0.244 4.238 1.00 3.40 C ATOM 1701 CG GLU B 195 25.703 0.614 5.375 1.00 4.16 C ATOM 1702 CD GLU B 195 25.786 2.077 4.995 1.00 4.65 C ATOM 1703 OE1 GLU B 195 26.119 2.373 3.830 1.00 4.87 O ATOM 1704 OE2 GLU B 195 25.521 2.937 5.862 1.00 5.02 O ATOM 0 H GLU B 195 22.979 -1.530 4.245 1.00 2.75 H new ATOM 0 HA GLU B 195 23.675 1.285 4.023 1.00 3.12 H new ATOM 0 HB2 GLU B 195 25.033 -1.263 4.596 1.00 3.40 H new ATOM 0 HB3 GLU B 195 25.925 -0.287 3.447 1.00 3.40 H new ATOM 0 HG2 GLU B 195 25.054 0.502 6.243 1.00 4.16 H new ATOM 0 HG3 GLU B 195 26.691 0.260 5.668 1.00 4.16 H new ATOM 1711 N ASN B 196 24.955 1.083 1.664 1.00 3.43 N ATOM 1712 CA ASN B 196 25.194 1.263 0.234 1.00 3.64 C ATOM 1713 C ASN B 196 26.084 0.151 -0.313 1.00 3.41 C ATOM 1714 O ASN B 196 26.352 0.101 -1.514 1.00 3.56 O ATOM 1715 CB ASN B 196 25.857 2.619 -0.016 1.00 4.47 C ATOM 1716 CG ASN B 196 25.152 3.423 -1.091 1.00 4.94 C ATOM 1717 OD1 ASN B 196 24.246 4.207 -0.803 1.00 5.26 O ATOM 1718 ND2 ASN B 196 25.550 3.230 -2.338 1.00 5.14 N ATOM 0 H ASN B 196 25.622 1.572 2.260 1.00 3.43 H new ATOM 0 HA ASN B 196 24.234 1.224 -0.280 1.00 3.64 H new ATOM 0 HB2 ASN B 196 25.868 3.191 0.912 1.00 4.47 H new ATOM 0 HB3 ASN B 196 26.896 2.463 -0.306 1.00 4.47 H new ATOM 0 HD21 ASN B 196 25.103 3.739 -3.101 1.00 5.14 H new ATOM 0 HD22 ASN B 196 26.304 2.572 -2.537 1.00 5.14 H new ATOM 1725 N GLU B 197 26.536 -0.722 0.597 1.00 3.29 N ATOM 1726 CA GLU B 197 27.415 -1.865 0.290 1.00 3.26 C ATOM 1727 C GLU B 197 28.565 -1.492 -0.658 1.00 3.82 C ATOM 1728 O GLU B 197 28.897 -0.317 -0.826 1.00 4.30 O ATOM 1729 CB GLU B 197 26.612 -3.063 -0.260 1.00 2.93 C ATOM 1730 CG GLU B 197 26.045 -2.878 -1.666 1.00 3.10 C ATOM 1731 CD GLU B 197 24.570 -2.512 -1.669 1.00 3.38 C ATOM 1732 OE1 GLU B 197 23.966 -2.435 -0.579 1.00 3.83 O ATOM 1733 OE2 GLU B 197 24.010 -2.304 -2.765 1.00 3.60 O ATOM 0 H GLU B 197 26.298 -0.655 1.587 1.00 3.29 H new ATOM 0 HA GLU B 197 27.869 -2.164 1.235 1.00 3.26 H new ATOM 0 HB2 GLU B 197 27.256 -3.942 -0.259 1.00 2.93 H new ATOM 0 HB3 GLU B 197 25.788 -3.271 0.422 1.00 2.93 H new ATOM 0 HG2 GLU B 197 26.608 -2.098 -2.179 1.00 3.10 H new ATOM 0 HG3 GLU B 197 26.186 -3.798 -2.233 1.00 3.10 H new ATOM 1740 N GLU B 198 29.204 -2.502 -1.242 1.00 3.91 N ATOM 1741 CA GLU B 198 30.303 -2.273 -2.173 1.00 4.52 C ATOM 1742 C GLU B 198 30.279 -3.286 -3.314 1.00 4.64 C ATOM 1743 O GLU B 198 31.293 -3.530 -3.966 1.00 5.16 O ATOM 1744 CB GLU B 198 31.646 -2.339 -1.444 1.00 4.90 C ATOM 1745 CG GLU B 198 32.239 -0.973 -1.146 1.00 5.36 C ATOM 1746 CD GLU B 198 32.258 -0.072 -2.363 1.00 5.99 C ATOM 1747 OE1 GLU B 198 33.148 -0.243 -3.220 1.00 6.25 O ATOM 1748 OE2 GLU B 198 31.382 0.807 -2.476 1.00 6.45 O ATOM 0 H GLU B 198 28.980 -3.485 -1.087 1.00 3.91 H new ATOM 0 HA GLU B 198 30.178 -1.277 -2.597 1.00 4.52 H new ATOM 0 HB2 GLU B 198 31.516 -2.883 -0.508 1.00 4.90 H new ATOM 0 HB3 GLU B 198 32.351 -2.909 -2.049 1.00 4.90 H new ATOM 0 HG2 GLU B 198 31.663 -0.495 -0.353 1.00 5.36 H new ATOM 0 HG3 GLU B 198 33.256 -1.095 -0.772 1.00 5.36 H new ATOM 1755 N LYS B 199 29.118 -3.870 -3.557 1.00 4.32 N ATOM 1756 CA LYS B 199 28.970 -4.853 -4.622 1.00 4.64 C ATOM 1757 C LYS B 199 27.792 -4.496 -5.517 1.00 4.89 C ATOM 1758 O LYS B 199 27.944 -4.380 -6.734 1.00 5.53 O ATOM 1759 CB LYS B 199 28.791 -6.261 -4.049 1.00 4.38 C ATOM 1760 CG LYS B 199 30.077 -6.890 -3.527 1.00 4.54 C ATOM 1761 CD LYS B 199 30.342 -6.510 -2.077 1.00 4.53 C ATOM 1762 CE LYS B 199 31.716 -6.968 -1.616 1.00 4.41 C ATOM 1763 NZ LYS B 199 31.834 -8.449 -1.597 1.00 4.56 N ATOM 0 H LYS B 199 28.263 -3.682 -3.033 1.00 4.32 H new ATOM 0 HA LYS B 199 29.882 -4.841 -5.219 1.00 4.64 H new ATOM 0 HB2 LYS B 199 28.064 -6.222 -3.238 1.00 4.38 H new ATOM 0 HB3 LYS B 199 28.372 -6.905 -4.822 1.00 4.38 H new ATOM 0 HG2 LYS B 199 30.012 -7.975 -3.613 1.00 4.54 H new ATOM 0 HG3 LYS B 199 30.916 -6.571 -4.146 1.00 4.54 H new ATOM 0 HD2 LYS B 199 30.262 -5.429 -1.964 1.00 4.53 H new ATOM 0 HD3 LYS B 199 29.578 -6.954 -1.439 1.00 4.53 H new ATOM 0 HE2 LYS B 199 32.477 -6.553 -2.277 1.00 4.41 H new ATOM 0 HE3 LYS B 199 31.912 -6.576 -0.618 1.00 4.41 H new ATOM 0 HZ1 LYS B 199 32.769 -8.718 -1.229 1.00 4.56 H new ATOM 0 HZ2 LYS B 199 31.093 -8.848 -0.986 1.00 4.56 H new ATOM 0 HZ3 LYS B 199 31.723 -8.819 -2.563 1.00 4.56 H new ATOM 1777 N VAL B 200 26.627 -4.314 -4.897 1.00 4.46 N ATOM 1778 CA VAL B 200 25.394 -3.958 -5.604 1.00 4.74 C ATOM 1779 C VAL B 200 25.105 -4.931 -6.750 1.00 5.32 C ATOM 1780 O VAL B 200 24.843 -4.528 -7.884 1.00 5.99 O ATOM 1781 CB VAL B 200 25.436 -2.512 -6.152 1.00 5.22 C ATOM 1782 CG1 VAL B 200 24.023 -1.999 -6.398 1.00 5.43 C ATOM 1783 CG2 VAL B 200 26.181 -1.586 -5.200 1.00 4.96 C ATOM 0 H VAL B 200 26.510 -4.409 -3.888 1.00 4.46 H new ATOM 0 HA VAL B 200 24.590 -4.024 -4.871 1.00 4.74 H new ATOM 0 HB VAL B 200 25.975 -2.524 -7.099 1.00 5.22 H new ATOM 0 HG11 VAL B 200 24.068 -0.980 -6.783 1.00 5.43 H new ATOM 0 HG12 VAL B 200 23.524 -2.640 -7.125 1.00 5.43 H new ATOM 0 HG13 VAL B 200 23.464 -2.009 -5.462 1.00 5.43 H new ATOM 0 HG21 VAL B 200 26.195 -0.576 -5.611 1.00 4.96 H new ATOM 0 HG22 VAL B 200 25.678 -1.577 -4.233 1.00 4.96 H new ATOM 0 HG23 VAL B 200 27.204 -1.940 -5.074 1.00 4.96 H new ATOM 1793 N LYS B 201 25.154 -6.218 -6.447 1.00 5.18 N ATOM 1794 CA LYS B 201 24.892 -7.242 -7.446 1.00 5.84 C ATOM 1795 C LYS B 201 23.703 -8.103 -7.030 1.00 5.78 C ATOM 1796 O LYS B 201 23.485 -9.185 -7.576 1.00 6.37 O ATOM 1797 CB LYS B 201 26.133 -8.118 -7.663 1.00 6.17 C ATOM 1798 CG LYS B 201 26.551 -8.912 -6.434 1.00 5.81 C ATOM 1799 CD LYS B 201 27.813 -9.722 -6.685 1.00 6.12 C ATOM 1800 CE LYS B 201 27.581 -10.829 -7.700 1.00 6.82 C ATOM 1801 NZ LYS B 201 26.550 -11.794 -7.241 1.00 7.02 N ATOM 0 H LYS B 201 25.373 -6.579 -5.518 1.00 5.18 H new ATOM 0 HA LYS B 201 24.651 -6.746 -8.386 1.00 5.84 H new ATOM 0 HB2 LYS B 201 25.938 -8.811 -8.482 1.00 6.17 H new ATOM 0 HB3 LYS B 201 26.963 -7.484 -7.973 1.00 6.17 H new ATOM 0 HG2 LYS B 201 26.717 -8.230 -5.600 1.00 5.81 H new ATOM 0 HG3 LYS B 201 25.742 -9.581 -6.142 1.00 5.81 H new ATOM 0 HD2 LYS B 201 28.604 -9.062 -7.042 1.00 6.12 H new ATOM 0 HD3 LYS B 201 28.159 -10.156 -5.747 1.00 6.12 H new ATOM 0 HE2 LYS B 201 27.272 -10.392 -8.650 1.00 6.82 H new ATOM 0 HE3 LYS B 201 28.517 -11.357 -7.882 1.00 6.82 H new ATOM 0 HZ1 LYS B 201 26.620 -12.669 -7.799 1.00 7.02 H new ATOM 0 HZ2 LYS B 201 26.702 -12.012 -6.236 1.00 7.02 H new ATOM 0 HZ3 LYS B 201 25.605 -11.378 -7.366 1.00 7.02 H new ATOM 1815 N LEU B 202 22.931 -7.604 -6.070 1.00 5.18 N ATOM 1816 CA LEU B 202 21.762 -8.319 -5.571 1.00 5.23 C ATOM 1817 C LEU B 202 20.583 -7.372 -5.425 1.00 4.95 C ATOM 1818 O LEU B 202 20.756 -6.151 -5.402 1.00 4.37 O ATOM 1819 CB LEU B 202 22.063 -8.975 -4.219 1.00 4.91 C ATOM 1820 CG LEU B 202 23.039 -10.151 -4.260 1.00 5.32 C ATOM 1821 CD1 LEU B 202 23.350 -10.625 -2.853 1.00 5.10 C ATOM 1822 CD2 LEU B 202 22.475 -11.290 -5.096 1.00 6.12 C ATOM 0 H LEU B 202 23.095 -6.703 -5.620 1.00 5.18 H new ATOM 0 HA LEU B 202 21.510 -9.096 -6.292 1.00 5.23 H new ATOM 0 HB2 LEU B 202 22.464 -8.216 -3.548 1.00 4.91 H new ATOM 0 HB3 LEU B 202 21.124 -9.320 -3.785 1.00 4.91 H new ATOM 0 HG LEU B 202 23.965 -9.815 -4.726 1.00 5.32 H new ATOM 0 HD11 LEU B 202 24.046 -11.463 -2.897 1.00 5.10 H new ATOM 0 HD12 LEU B 202 23.799 -9.810 -2.285 1.00 5.10 H new ATOM 0 HD13 LEU B 202 22.429 -10.944 -2.365 1.00 5.10 H new ATOM 0 HD21 LEU B 202 23.186 -12.116 -5.112 1.00 6.12 H new ATOM 0 HD22 LEU B 202 21.534 -11.629 -4.662 1.00 6.12 H new ATOM 0 HD23 LEU B 202 22.300 -10.942 -6.114 1.00 6.12 H new ATOM 1834 N GLY B 203 19.388 -7.938 -5.342 1.00 5.44 N ATOM 1835 CA GLY B 203 18.194 -7.130 -5.193 1.00 5.30 C ATOM 1836 C GLY B 203 17.073 -7.859 -4.478 1.00 5.32 C ATOM 1837 O GLY B 203 15.946 -7.366 -4.419 1.00 5.33 O ATOM 0 H GLY B 203 19.223 -8.944 -5.375 1.00 5.44 H new ATOM 0 HA2 GLY B 203 18.442 -6.224 -4.640 1.00 5.30 H new ATOM 0 HA3 GLY B 203 17.847 -6.818 -6.178 1.00 5.30 H new ATOM 1841 N MET B 204 17.382 -9.028 -3.922 1.00 5.45 N ATOM 1842 CA MET B 204 16.386 -9.826 -3.207 1.00 5.69 C ATOM 1843 C MET B 204 15.841 -9.066 -2.003 1.00 5.11 C ATOM 1844 O MET B 204 14.649 -9.122 -1.706 1.00 5.36 O ATOM 1845 CB MET B 204 16.980 -11.173 -2.765 1.00 6.02 C ATOM 1846 CG MET B 204 18.204 -11.054 -1.862 1.00 5.50 C ATOM 1847 SD MET B 204 18.791 -12.651 -1.258 1.00 6.01 S ATOM 1848 CE MET B 204 19.251 -13.446 -2.795 1.00 6.67 C ATOM 0 H MET B 204 18.313 -9.444 -3.952 1.00 5.45 H new ATOM 0 HA MET B 204 15.560 -10.021 -3.892 1.00 5.69 H new ATOM 0 HB2 MET B 204 16.211 -11.742 -2.242 1.00 6.02 H new ATOM 0 HB3 MET B 204 17.252 -11.745 -3.652 1.00 6.02 H new ATOM 0 HG2 MET B 204 19.007 -10.561 -2.410 1.00 5.50 H new ATOM 0 HG3 MET B 204 17.961 -10.417 -1.012 1.00 5.50 H new ATOM 0 HE1 MET B 204 19.899 -14.297 -2.585 1.00 6.67 H new ATOM 0 HE2 MET B 204 18.354 -13.791 -3.309 1.00 6.67 H new ATOM 0 HE3 MET B 204 19.781 -12.734 -3.428 1.00 6.67 H new ATOM 1858 N THR B 205 16.716 -8.343 -1.322 1.00 4.40 N ATOM 1859 CA THR B 205 16.327 -7.568 -0.162 1.00 3.86 C ATOM 1860 C THR B 205 16.406 -6.078 -0.466 1.00 3.22 C ATOM 1861 O THR B 205 16.694 -5.267 0.416 1.00 2.61 O ATOM 1862 CB THR B 205 17.230 -7.898 1.035 1.00 3.67 C ATOM 1863 OG1 THR B 205 18.491 -8.397 0.566 1.00 3.95 O ATOM 1864 CG2 THR B 205 16.573 -8.923 1.941 1.00 4.16 C ATOM 0 H THR B 205 17.706 -8.279 -1.558 1.00 4.40 H new ATOM 0 HA THR B 205 15.298 -7.827 0.088 1.00 3.86 H new ATOM 0 HB THR B 205 17.391 -6.986 1.610 1.00 3.67 H new ATOM 0 HG1 THR B 205 19.219 -7.925 1.021 1.00 3.95 H new ATOM 0 HG21 THR B 205 17.232 -9.141 2.782 1.00 4.16 H new ATOM 0 HG22 THR B 205 15.628 -8.527 2.313 1.00 4.16 H new ATOM 0 HG23 THR B 205 16.387 -9.839 1.380 1.00 4.16 H new ATOM 1872 N ASN B 206 16.153 -5.732 -1.731 1.00 3.55 N ATOM 1873 CA ASN B 206 16.186 -4.339 -2.176 1.00 3.31 C ATOM 1874 C ASN B 206 15.259 -3.488 -1.321 1.00 3.04 C ATOM 1875 O ASN B 206 15.638 -2.418 -0.845 1.00 2.62 O ATOM 1876 CB ASN B 206 15.775 -4.243 -3.651 1.00 4.07 C ATOM 1877 CG ASN B 206 15.686 -2.811 -4.148 1.00 4.18 C ATOM 1878 OD1 ASN B 206 14.639 -2.170 -4.047 1.00 4.40 O ATOM 1879 ND2 ASN B 206 16.779 -2.308 -4.701 1.00 4.21 N ATOM 0 H ASN B 206 15.923 -6.401 -2.466 1.00 3.55 H new ATOM 0 HA ASN B 206 17.204 -3.965 -2.068 1.00 3.31 H new ATOM 0 HB2 ASN B 206 16.495 -4.789 -4.260 1.00 4.07 H new ATOM 0 HB3 ASN B 206 14.809 -4.730 -3.786 1.00 4.07 H new ATOM 0 HD21 ASN B 206 16.775 -1.355 -5.064 1.00 4.21 H new ATOM 0 HD22 ASN B 206 17.625 -2.874 -4.764 1.00 4.21 H new ATOM 1886 N SER B 207 14.053 -3.990 -1.129 1.00 3.47 N ATOM 1887 CA SER B 207 13.045 -3.322 -0.329 1.00 3.42 C ATOM 1888 C SER B 207 12.131 -4.366 0.302 1.00 3.82 C ATOM 1889 O SER B 207 10.976 -4.095 0.616 1.00 4.01 O ATOM 1890 CB SER B 207 12.241 -2.355 -1.202 1.00 3.85 C ATOM 1891 OG SER B 207 12.289 -2.743 -2.568 1.00 3.99 O ATOM 0 H SER B 207 13.744 -4.877 -1.526 1.00 3.47 H new ATOM 0 HA SER B 207 13.525 -2.747 0.463 1.00 3.42 H new ATOM 0 HB2 SER B 207 11.205 -2.329 -0.864 1.00 3.85 H new ATOM 0 HB3 SER B 207 12.637 -1.345 -1.093 1.00 3.85 H new ATOM 0 HG SER B 207 13.152 -2.483 -2.952 1.00 3.99 H new ATOM 1897 N HIS B 208 12.672 -5.562 0.493 1.00 4.12 N ATOM 1898 CA HIS B 208 11.919 -6.667 1.064 1.00 4.71 C ATOM 1899 C HIS B 208 12.650 -7.219 2.275 1.00 4.82 C ATOM 1900 O HIS B 208 12.023 -7.929 3.081 1.00 5.20 O ATOM 1901 CB HIS B 208 11.726 -7.770 0.020 1.00 5.42 C ATOM 1902 CG HIS B 208 10.694 -8.788 0.395 1.00 6.08 C ATOM 1903 ND1 HIS B 208 9.362 -8.660 0.074 1.00 6.30 N ATOM 1904 CD2 HIS B 208 10.805 -9.961 1.061 1.00 6.75 C ATOM 1905 CE1 HIS B 208 8.698 -9.707 0.522 1.00 6.95 C ATOM 1906 NE2 HIS B 208 9.552 -10.512 1.125 1.00 7.22 N ATOM 1907 OXT HIS B 208 13.852 -6.924 2.419 1.00 4.71 O ATOM 0 H HIS B 208 13.638 -5.791 0.258 1.00 4.12 H new ATOM 0 HA HIS B 208 10.940 -6.304 1.375 1.00 4.71 H new ATOM 0 HB2 HIS B 208 11.443 -7.313 -0.928 1.00 5.42 H new ATOM 0 HB3 HIS B 208 12.678 -8.275 -0.141 1.00 5.42 H new ATOM 0 HD1 HIS B 208 8.952 -7.876 -0.433 1.00 6.30 H new ATOM 0 HD2 HIS B 208 11.712 -10.384 1.467 1.00 6.75 H new ATOM 0 HE1 HIS B 208 7.637 -9.877 0.414 1.00 6.95 H new