USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 674 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 ASN : amide:sc= -1.63! K(o=-0.45!,f=1.8) USER MOD Set 1.2: A 113 SER OG : rot -57:sc= 1.18 USER MOD Set 2.1: A 86 MET CE :methyl -161:sc= -5.77! (180deg=-6.28!) USER MOD Set 2.2: A 90 TYR OH : rot -14:sc= 0.00577 USER MOD Set 3.1: A 4 ASN : amide:sc= -0.655 K(o=-3.3,f=-4.6!) USER MOD Set 3.2: A 68 HIS : no HD1:sc= -3.27! C(o=-3.3!,f=-2.7!) USER MOD Set 3.3: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 3.4: A 89 ASN : amide:sc= 0.594 K(o=-3.3,f=-4.6) USER MOD Set 4.1: A 65 ASN : amide:sc= 0.821 X(o=1.5,f=1.8) USER MOD Set 4.2: A 71 THR OG1 : rot -64:sc= 0.705 USER MOD Set 5.1: A 43 ASN : amide:sc= 1.26 K(o=1.3,f=-2.8!) USER MOD Set 5.2: A 58 SER OG : rot -140:sc= 0.0563 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0577) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= -0.455 K(o=-0.46,f=-3!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -8:sc= 1.26 USER MOD Single : A 25 ASN : amide:sc= 0.782 K(o=0.78,f=-6.4!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0429 X(o=-0.043,f=-0.017) USER MOD Single : A 31 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.5!) USER MOD Single : A 33 THR OG1 : rot 100:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2! K(o=-2!,f=-1.5) USER MOD Single : A 38 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.061) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.3 X(o=-1.3,f=-0.81) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -170:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 35:sc= 0.0486 USER MOD Single : A 73 SER OG : rot -131:sc= 0.204! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= 0.735 K(o=0.73,f=-2.4!) USER MOD Single : A 84 SER OG : rot 47:sc= -2.44! USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -2.24! C(o=-2.2!,f=-5.3!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -150:sc= -0.0461 USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0373) USER MOD Single : A 114 SER OG : rot 180:sc= -0.0585 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.018 -5.250 -1.104 1.00 0.00 N ATOM 2 CA MET A 1 16.881 -5.879 -0.390 1.00 0.00 C ATOM 3 C MET A 1 15.608 -5.793 -1.220 1.00 0.00 C ATOM 4 O MET A 1 15.222 -6.771 -1.859 1.00 0.00 O ATOM 5 CB MET A 1 16.656 -5.214 0.970 1.00 0.00 C ATOM 6 CG MET A 1 17.757 -5.488 1.979 1.00 0.00 C ATOM 7 SD MET A 1 17.488 -4.637 3.544 1.00 0.00 S ATOM 8 CE MET A 1 18.920 -5.181 4.469 1.00 0.00 C ATOM 0 H1 MET A 1 18.900 -5.438 -0.586 1.00 0.00 H new ATOM 0 H2 MET A 1 18.089 -5.647 -2.063 1.00 0.00 H new ATOM 0 H3 MET A 1 17.864 -4.223 -1.165 1.00 0.00 H new ATOM 0 HA MET A 1 17.129 -6.928 -0.231 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.568 -4.137 0.827 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.707 -5.560 1.380 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.821 -6.561 2.159 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.714 -5.177 1.560 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.899 -4.739 5.465 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.907 -6.268 4.554 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.827 -4.869 3.952 1.00 0.00 H new ATOM 18 N GLN A 2 14.981 -4.610 -1.223 1.00 0.00 N ATOM 19 CA GLN A 2 13.731 -4.366 -1.954 1.00 0.00 C ATOM 20 C GLN A 2 12.558 -5.069 -1.283 1.00 0.00 C ATOM 21 O GLN A 2 12.656 -6.215 -0.851 1.00 0.00 O ATOM 22 CB GLN A 2 13.826 -4.790 -3.425 1.00 0.00 C ATOM 23 CG GLN A 2 14.218 -3.662 -4.366 1.00 0.00 C ATOM 24 CD GLN A 2 15.559 -3.049 -4.027 1.00 0.00 C ATOM 25 OE1 GLN A 2 15.645 -2.101 -3.247 1.00 0.00 O ATOM 26 NE2 GLN A 2 16.614 -3.584 -4.611 1.00 0.00 N ATOM 0 H GLN A 2 15.327 -3.794 -0.718 1.00 0.00 H new ATOM 0 HA GLN A 2 13.561 -3.290 -1.929 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.555 -5.595 -3.515 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.864 -5.195 -3.739 1.00 0.00 H new ATOM 0 HG2 GLN A 2 14.246 -4.041 -5.387 1.00 0.00 H new ATOM 0 HG3 GLN A 2 13.452 -2.887 -4.335 1.00 0.00 H new ATOM 0 HE21 GLN A 2 16.499 -4.369 -5.251 1.00 0.00 H new ATOM 0 HE22 GLN A 2 17.545 -3.212 -4.422 1.00 0.00 H new ATOM 33 N CYS A 3 11.446 -4.359 -1.196 1.00 0.00 N ATOM 34 CA CYS A 3 10.242 -4.893 -0.581 1.00 0.00 C ATOM 35 C CYS A 3 9.427 -5.672 -1.609 1.00 0.00 C ATOM 36 O CYS A 3 9.424 -6.899 -1.587 1.00 0.00 O ATOM 37 CB CYS A 3 9.414 -3.762 0.026 1.00 0.00 C ATOM 38 SG CYS A 3 10.304 -2.779 1.279 1.00 0.00 S ATOM 0 H CYS A 3 11.352 -3.405 -1.546 1.00 0.00 H new ATOM 0 HA CYS A 3 10.526 -5.576 0.219 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.083 -3.099 -0.773 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.518 -4.185 0.480 1.00 0.00 H new ATOM 42 N ASN A 4 8.751 -4.946 -2.508 1.00 0.00 N ATOM 43 CA ASN A 4 7.941 -5.550 -3.577 1.00 0.00 C ATOM 44 C ASN A 4 7.131 -6.751 -3.093 1.00 0.00 C ATOM 45 O ASN A 4 7.450 -7.893 -3.434 1.00 0.00 O ATOM 46 CB ASN A 4 8.840 -5.978 -4.743 1.00 0.00 C ATOM 47 CG ASN A 4 9.503 -4.805 -5.439 1.00 0.00 C ATOM 48 OD1 ASN A 4 8.960 -4.247 -6.390 1.00 0.00 O ATOM 49 ND2 ASN A 4 10.683 -4.426 -4.972 1.00 0.00 N ATOM 0 H ASN A 4 8.749 -3.926 -2.516 1.00 0.00 H new ATOM 0 HA ASN A 4 7.235 -4.788 -3.907 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.609 -6.656 -4.372 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.246 -6.535 -5.467 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.175 -3.644 -5.404 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.099 -4.916 -4.180 1.00 0.00 H new ATOM 55 N PHE A 5 6.076 -6.500 -2.318 1.00 0.00 N ATOM 56 CA PHE A 5 5.245 -7.585 -1.798 1.00 0.00 C ATOM 57 C PHE A 5 4.728 -8.483 -2.929 1.00 0.00 C ATOM 58 O PHE A 5 4.731 -9.703 -2.817 1.00 0.00 O ATOM 59 CB PHE A 5 4.064 -7.021 -0.988 1.00 0.00 C ATOM 60 CG PHE A 5 2.955 -6.425 -1.821 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.188 -5.338 -2.652 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.675 -6.957 -1.768 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.170 -4.798 -3.413 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.653 -6.420 -2.527 1.00 0.00 C ATOM 65 CZ PHE A 5 0.901 -5.338 -3.350 1.00 0.00 C ATOM 0 H PHE A 5 5.779 -5.565 -2.039 1.00 0.00 H new ATOM 0 HA PHE A 5 5.867 -8.192 -1.140 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.649 -7.819 -0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.440 -6.257 -0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.178 -4.909 -2.704 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.475 -7.802 -1.125 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.366 -3.954 -4.057 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.338 -6.845 -2.477 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.103 -4.915 -3.943 1.00 0.00 H new ATOM 74 N ALA A 6 4.354 -7.857 -4.036 1.00 0.00 N ATOM 75 CA ALA A 6 3.794 -8.548 -5.194 1.00 0.00 C ATOM 76 C ALA A 6 4.699 -9.643 -5.760 1.00 0.00 C ATOM 77 O ALA A 6 4.213 -10.561 -6.419 1.00 0.00 O ATOM 78 CB ALA A 6 3.487 -7.531 -6.276 1.00 0.00 C ATOM 0 H ALA A 6 4.430 -6.847 -4.159 1.00 0.00 H new ATOM 0 HA ALA A 6 2.888 -9.049 -4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.068 -8.039 -7.145 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.767 -6.804 -5.899 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.404 -7.017 -6.563 1.00 0.00 H new ATOM 84 N ASN A 7 5.997 -9.566 -5.508 1.00 0.00 N ATOM 85 CA ASN A 7 6.921 -10.566 -6.038 1.00 0.00 C ATOM 86 C ASN A 7 6.776 -11.899 -5.312 1.00 0.00 C ATOM 87 O ASN A 7 7.153 -12.946 -5.841 1.00 0.00 O ATOM 88 CB ASN A 7 8.372 -10.078 -5.968 1.00 0.00 C ATOM 89 CG ASN A 7 8.653 -8.943 -6.938 1.00 0.00 C ATOM 90 OD1 ASN A 7 7.797 -8.091 -7.185 1.00 0.00 O ATOM 91 ND2 ASN A 7 9.843 -8.936 -7.513 1.00 0.00 N ATOM 0 H ASN A 7 6.433 -8.833 -4.948 1.00 0.00 H new ATOM 0 HA ASN A 7 6.661 -10.718 -7.086 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.592 -9.747 -4.953 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.042 -10.910 -6.184 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.079 -8.208 -8.187 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.525 -9.659 -7.282 1.00 0.00 H new ATOM 97 N SER A 8 6.215 -11.866 -4.111 1.00 0.00 N ATOM 98 CA SER A 8 6.028 -13.081 -3.333 1.00 0.00 C ATOM 99 C SER A 8 4.591 -13.187 -2.823 1.00 0.00 C ATOM 100 O SER A 8 4.280 -14.027 -1.978 1.00 0.00 O ATOM 101 CB SER A 8 7.002 -13.093 -2.159 1.00 0.00 C ATOM 102 OG SER A 8 8.338 -12.922 -2.597 1.00 0.00 O ATOM 0 H SER A 8 5.883 -11.015 -3.657 1.00 0.00 H new ATOM 0 HA SER A 8 6.224 -13.939 -3.976 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.742 -12.298 -1.460 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.912 -14.035 -1.619 1.00 0.00 H new ATOM 0 HG SER A 8 8.940 -12.932 -1.824 1.00 0.00 H new ATOM 107 N CYS A 9 3.722 -12.334 -3.344 1.00 0.00 N ATOM 108 CA CYS A 9 2.323 -12.323 -2.941 1.00 0.00 C ATOM 109 C CYS A 9 1.416 -12.591 -4.133 1.00 0.00 C ATOM 110 O CYS A 9 1.586 -11.998 -5.200 1.00 0.00 O ATOM 111 CB CYS A 9 1.970 -10.976 -2.305 1.00 0.00 C ATOM 112 SG CYS A 9 2.847 -10.634 -0.740 1.00 0.00 S ATOM 0 H CYS A 9 3.962 -11.638 -4.050 1.00 0.00 H new ATOM 0 HA CYS A 9 2.170 -13.115 -2.208 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.195 -10.181 -3.016 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.896 -10.944 -2.121 1.00 0.00 H new ATOM 116 N THR A 10 0.460 -13.487 -3.949 1.00 0.00 N ATOM 117 CA THR A 10 -0.478 -13.840 -5.000 1.00 0.00 C ATOM 118 C THR A 10 -1.914 -13.706 -4.513 1.00 0.00 C ATOM 119 O THR A 10 -2.166 -13.693 -3.306 1.00 0.00 O ATOM 120 CB THR A 10 -0.237 -15.279 -5.495 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.170 -16.179 -4.379 1.00 0.00 O ATOM 122 CG2 THR A 10 1.048 -15.364 -6.298 1.00 0.00 C ATOM 0 H THR A 10 0.313 -13.987 -3.072 1.00 0.00 H new ATOM 0 HA THR A 10 -0.316 -13.149 -5.828 1.00 0.00 H new ATOM 0 HB THR A 10 -1.070 -15.562 -6.139 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.018 -17.091 -4.703 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.198 -16.389 -6.637 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.982 -14.702 -7.161 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.888 -15.062 -5.673 1.00 0.00 H new ATOM 130 N GLY A 11 -2.845 -13.600 -5.456 1.00 0.00 N ATOM 131 CA GLY A 11 -4.251 -13.471 -5.118 1.00 0.00 C ATOM 132 C GLY A 11 -4.530 -12.287 -4.214 1.00 0.00 C ATOM 133 O GLY A 11 -5.265 -12.405 -3.236 1.00 0.00 O ATOM 0 H GLY A 11 -2.648 -13.601 -6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.833 -13.368 -6.034 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.588 -14.384 -4.628 1.00 0.00 H new ATOM 137 N VAL A 12 -3.946 -11.146 -4.541 1.00 0.00 N ATOM 138 CA VAL A 12 -4.130 -9.946 -3.741 1.00 0.00 C ATOM 139 C VAL A 12 -5.368 -9.169 -4.172 1.00 0.00 C ATOM 140 O VAL A 12 -5.526 -8.807 -5.340 1.00 0.00 O ATOM 141 CB VAL A 12 -2.892 -9.027 -3.788 1.00 0.00 C ATOM 142 CG1 VAL A 12 -1.771 -9.616 -2.950 1.00 0.00 C ATOM 143 CG2 VAL A 12 -2.428 -8.811 -5.220 1.00 0.00 C ATOM 0 H VAL A 12 -3.341 -11.025 -5.354 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.269 -10.280 -2.713 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.169 -8.058 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.902 -8.959 -2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.103 -9.715 -1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.502 -10.597 -3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.554 -8.160 -5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.168 -9.771 -5.667 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.229 -8.348 -5.796 1.00 0.00 H new ATOM 153 N GLU A 13 -6.252 -8.937 -3.219 1.00 0.00 N ATOM 154 CA GLU A 13 -7.487 -8.211 -3.468 1.00 0.00 C ATOM 155 C GLU A 13 -7.572 -6.980 -2.576 1.00 0.00 C ATOM 156 O GLU A 13 -7.154 -7.013 -1.418 1.00 0.00 O ATOM 157 CB GLU A 13 -8.691 -9.118 -3.217 1.00 0.00 C ATOM 158 CG GLU A 13 -8.780 -10.304 -4.164 1.00 0.00 C ATOM 159 CD GLU A 13 -9.935 -11.223 -3.826 1.00 0.00 C ATOM 160 OE1 GLU A 13 -11.102 -10.790 -3.952 1.00 0.00 O ATOM 161 OE2 GLU A 13 -9.684 -12.383 -3.438 1.00 0.00 O ATOM 0 H GLU A 13 -6.136 -9.245 -2.253 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.493 -7.890 -4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.648 -9.487 -2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.603 -8.527 -3.305 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.893 -9.942 -5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.847 -10.867 -4.126 1.00 0.00 H new ATOM 166 N LEU A 14 -8.106 -5.899 -3.124 1.00 0.00 N ATOM 167 CA LEU A 14 -8.254 -4.656 -2.384 1.00 0.00 C ATOM 168 C LEU A 14 -9.726 -4.294 -2.267 1.00 0.00 C ATOM 169 O LEU A 14 -10.383 -3.987 -3.262 1.00 0.00 O ATOM 170 CB LEU A 14 -7.474 -3.524 -3.067 1.00 0.00 C ATOM 171 CG LEU A 14 -7.631 -2.124 -2.446 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.434 -2.162 -0.940 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.636 -1.174 -3.066 1.00 0.00 C ATOM 0 H LEU A 14 -8.446 -5.858 -4.085 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.845 -4.794 -1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.416 -3.785 -3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.785 -3.474 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.645 -1.777 -2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.551 -1.158 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.175 -2.824 -0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.434 -2.531 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.752 -0.185 -2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.624 -1.537 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.812 -1.113 -4.140 1.00 0.00 H new ATOM 184 N TYR A 15 -10.241 -4.352 -1.052 1.00 0.00 N ATOM 185 CA TYR A 15 -11.635 -4.034 -0.797 1.00 0.00 C ATOM 186 C TYR A 15 -11.749 -3.117 0.413 1.00 0.00 C ATOM 187 O TYR A 15 -11.579 -3.551 1.550 1.00 0.00 O ATOM 188 CB TYR A 15 -12.434 -5.321 -0.572 1.00 0.00 C ATOM 189 CG TYR A 15 -13.930 -5.118 -0.474 1.00 0.00 C ATOM 190 CD1 TYR A 15 -14.692 -4.863 -1.608 1.00 0.00 C ATOM 191 CD2 TYR A 15 -14.583 -5.192 0.749 1.00 0.00 C ATOM 192 CE1 TYR A 15 -16.059 -4.687 -1.525 1.00 0.00 C ATOM 193 CE2 TYR A 15 -15.950 -5.015 0.841 1.00 0.00 C ATOM 194 CZ TYR A 15 -16.683 -4.764 -0.299 1.00 0.00 C ATOM 195 OH TYR A 15 -18.048 -4.596 -0.213 1.00 0.00 O ATOM 0 H TYR A 15 -9.711 -4.618 -0.222 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.046 -3.517 -1.664 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.226 -6.011 -1.390 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -12.083 -5.797 0.344 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.207 -4.801 -2.571 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -14.012 -5.391 1.644 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -16.636 -4.490 -2.416 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -16.442 -5.073 1.801 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.330 -4.681 0.722 1.00 0.00 H new ATOM 204 N GLY A 16 -12.014 -1.843 0.156 1.00 0.00 N ATOM 205 CA GLY A 16 -12.150 -0.881 1.233 1.00 0.00 C ATOM 206 C GLY A 16 -10.831 -0.576 1.918 1.00 0.00 C ATOM 207 O GLY A 16 -10.737 -0.647 3.142 1.00 0.00 O ATOM 0 H GLY A 16 -12.137 -1.458 -0.780 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.571 0.043 0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.857 -1.264 1.969 1.00 0.00 H new ATOM 211 N TYR A 17 -9.819 -0.231 1.120 1.00 0.00 N ATOM 212 CA TYR A 17 -8.476 0.103 1.620 1.00 0.00 C ATOM 213 C TYR A 17 -7.813 -1.101 2.305 1.00 0.00 C ATOM 214 O TYR A 17 -6.820 -0.948 3.019 1.00 0.00 O ATOM 215 CB TYR A 17 -8.510 1.292 2.601 1.00 0.00 C ATOM 216 CG TYR A 17 -9.459 2.410 2.220 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.124 3.338 1.246 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.691 2.542 2.851 1.00 0.00 C ATOM 219 CE1 TYR A 17 -9.988 4.362 0.908 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.558 3.563 2.522 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.203 4.469 1.549 1.00 0.00 C ATOM 222 OH TYR A 17 -12.061 5.497 1.232 1.00 0.00 O ATOM 0 H TYR A 17 -9.904 -0.174 0.105 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.885 0.385 0.748 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -8.787 0.921 3.588 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.504 1.703 2.685 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.172 3.259 0.743 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.974 1.831 3.613 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -9.712 5.075 0.145 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.510 3.651 3.025 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.608 6.128 0.634 1.00 0.00 H new ATOM 231 N ILE A 18 -8.346 -2.296 2.069 1.00 0.00 N ATOM 232 CA ILE A 18 -7.812 -3.509 2.675 1.00 0.00 C ATOM 233 C ILE A 18 -7.277 -4.446 1.608 1.00 0.00 C ATOM 234 O ILE A 18 -8.028 -4.923 0.758 1.00 0.00 O ATOM 235 CB ILE A 18 -8.889 -4.253 3.487 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.645 -3.263 4.367 1.00 0.00 C ATOM 237 CG2 ILE A 18 -8.252 -5.350 4.331 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.798 -3.875 5.137 1.00 0.00 C ATOM 0 H ILE A 18 -9.150 -2.449 1.460 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.006 -3.206 3.344 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.595 -4.721 2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.947 -2.815 5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -10.027 -2.456 3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.025 -5.867 4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.743 -6.061 3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.531 -4.908 5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.283 -3.106 5.738 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.519 -4.298 4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.422 -4.662 5.790 1.00 0.00 H new ATOM 249 N LEU A 19 -5.980 -4.690 1.649 1.00 0.00 N ATOM 250 CA LEU A 19 -5.336 -5.570 0.692 1.00 0.00 C ATOM 251 C LEU A 19 -5.049 -6.915 1.330 1.00 0.00 C ATOM 252 O LEU A 19 -4.248 -7.007 2.251 1.00 0.00 O ATOM 253 CB LEU A 19 -4.028 -4.947 0.215 1.00 0.00 C ATOM 254 CG LEU A 19 -3.974 -4.600 -1.267 1.00 0.00 C ATOM 255 CD1 LEU A 19 -2.699 -3.832 -1.572 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.052 -5.863 -2.108 1.00 0.00 C ATOM 0 H LEU A 19 -5.348 -4.287 2.341 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.004 -5.712 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.846 -4.039 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.214 -5.636 0.440 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.829 -3.971 -1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.667 -3.587 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.679 -2.913 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.835 -4.445 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.012 -5.599 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.213 -6.515 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.987 -6.382 -1.899 1.00 0.00 H new ATOM 267 N ARG A 20 -5.696 -7.952 0.848 1.00 0.00 N ATOM 268 CA ARG A 20 -5.478 -9.278 1.388 1.00 0.00 C ATOM 269 C ARG A 20 -4.994 -10.201 0.293 1.00 0.00 C ATOM 270 O ARG A 20 -5.399 -10.070 -0.859 1.00 0.00 O ATOM 271 CB ARG A 20 -6.756 -9.849 1.996 1.00 0.00 C ATOM 272 CG ARG A 20 -6.504 -11.080 2.851 1.00 0.00 C ATOM 273 CD ARG A 20 -7.563 -12.144 2.632 1.00 0.00 C ATOM 274 NE ARG A 20 -7.565 -13.134 3.709 1.00 0.00 N ATOM 275 CZ ARG A 20 -8.283 -14.259 3.689 1.00 0.00 C ATOM 276 NH1 ARG A 20 -9.026 -14.565 2.632 1.00 0.00 N ATOM 277 NH2 ARG A 20 -8.245 -15.088 4.727 1.00 0.00 N ATOM 0 H ARG A 20 -6.374 -7.906 0.087 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.727 -9.200 2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.237 -9.083 2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.451 -10.104 1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.522 -11.491 2.616 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.487 -10.795 3.903 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.544 -11.673 2.568 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.386 -12.643 1.679 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.982 -12.953 4.526 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.051 -13.938 1.828 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.572 -15.427 2.624 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.668 -14.864 5.538 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.793 -15.948 4.713 1.00 0.00 H new ATOM 288 N GLY A 21 -4.125 -11.120 0.652 1.00 0.00 N ATOM 289 CA GLY A 21 -3.617 -12.058 -0.316 1.00 0.00 C ATOM 290 C GLY A 21 -2.772 -13.134 0.319 1.00 0.00 C ATOM 291 O GLY A 21 -2.653 -13.196 1.544 1.00 0.00 O ATOM 0 H GLY A 21 -3.760 -11.235 1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.451 -12.519 -0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.024 -11.525 -1.059 1.00 0.00 H new ATOM 295 N ASP A 22 -2.189 -13.976 -0.510 1.00 0.00 N ATOM 296 CA ASP A 22 -1.349 -15.060 -0.035 1.00 0.00 C ATOM 297 C ASP A 22 0.104 -14.781 -0.364 1.00 0.00 C ATOM 298 O ASP A 22 0.502 -14.799 -1.525 1.00 0.00 O ATOM 299 CB ASP A 22 -1.773 -16.388 -0.661 1.00 0.00 C ATOM 300 CG ASP A 22 -2.983 -17.001 0.011 1.00 0.00 C ATOM 301 OD1 ASP A 22 -4.120 -16.602 -0.314 1.00 0.00 O ATOM 302 OD2 ASP A 22 -2.806 -17.905 0.853 1.00 0.00 O ATOM 0 H ASP A 22 -2.282 -13.930 -1.525 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.465 -15.130 1.047 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.992 -16.232 -1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.941 -17.090 -0.608 1.00 0.00 H new ATOM 306 N CYS A 23 0.894 -14.511 0.653 1.00 0.00 N ATOM 307 CA CYS A 23 2.298 -14.236 0.456 1.00 0.00 C ATOM 308 C CYS A 23 3.121 -15.417 0.945 1.00 0.00 C ATOM 309 O CYS A 23 2.904 -15.924 2.042 1.00 0.00 O ATOM 310 CB CYS A 23 2.676 -12.961 1.200 1.00 0.00 C ATOM 311 SG CYS A 23 1.702 -11.506 0.688 1.00 0.00 S ATOM 0 H CYS A 23 0.586 -14.476 1.625 1.00 0.00 H new ATOM 0 HA CYS A 23 2.503 -14.090 -0.605 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.542 -13.120 2.270 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.734 -12.755 1.039 1.00 0.00 H new ATOM 315 N ILE A 24 4.070 -15.847 0.130 1.00 0.00 N ATOM 316 CA ILE A 24 4.907 -16.989 0.464 1.00 0.00 C ATOM 317 C ILE A 24 5.860 -16.659 1.602 1.00 0.00 C ATOM 318 O ILE A 24 6.483 -15.597 1.617 1.00 0.00 O ATOM 319 CB ILE A 24 5.712 -17.467 -0.762 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.763 -17.778 -1.924 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.551 -18.685 -0.416 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.457 -18.306 -3.162 1.00 0.00 C ATOM 0 H ILE A 24 4.281 -15.420 -0.772 1.00 0.00 H new ATOM 0 HA ILE A 24 4.242 -17.792 0.784 1.00 0.00 H new ATOM 0 HB ILE A 24 6.389 -16.668 -1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.027 -18.510 -1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.216 -16.872 -2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.110 -19.004 -1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.247 -18.432 0.384 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.899 -19.494 -0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.717 -18.502 -3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.173 -17.567 -3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.981 -19.230 -2.919 1.00 0.00 H new ATOM 333 N ASN A 25 5.960 -17.566 2.557 1.00 0.00 N ATOM 334 CA ASN A 25 6.840 -17.369 3.696 1.00 0.00 C ATOM 335 C ASN A 25 8.086 -18.235 3.546 1.00 0.00 C ATOM 336 O ASN A 25 8.265 -18.881 2.514 1.00 0.00 O ATOM 337 CB ASN A 25 6.107 -17.691 5.006 1.00 0.00 C ATOM 338 CG ASN A 25 5.991 -19.173 5.291 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.821 -19.743 5.994 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.967 -19.803 4.747 1.00 0.00 N ATOM 0 H ASN A 25 5.444 -18.446 2.567 1.00 0.00 H new ATOM 0 HA ASN A 25 7.145 -16.323 3.729 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.631 -17.211 5.833 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.107 -17.258 4.968 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.842 -20.803 4.904 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.301 -19.290 4.169 1.00 0.00 H new ATOM 346 N GLU A 26 8.929 -18.247 4.575 1.00 0.00 N ATOM 347 CA GLU A 26 10.167 -19.031 4.579 1.00 0.00 C ATOM 348 C GLU A 26 9.915 -20.481 4.156 1.00 0.00 C ATOM 349 O GLU A 26 10.696 -21.068 3.409 1.00 0.00 O ATOM 350 CB GLU A 26 10.775 -19.005 5.984 1.00 0.00 C ATOM 351 CG GLU A 26 12.046 -19.821 6.124 1.00 0.00 C ATOM 352 CD GLU A 26 13.236 -19.182 5.440 1.00 0.00 C ATOM 353 OE1 GLU A 26 13.396 -19.361 4.215 1.00 0.00 O ATOM 354 OE2 GLU A 26 14.025 -18.501 6.129 1.00 0.00 O ATOM 0 H GLU A 26 8.776 -17.714 5.431 1.00 0.00 H new ATOM 0 HA GLU A 26 10.856 -18.587 3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.988 -17.971 6.257 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.037 -19.377 6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.271 -19.955 7.182 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.882 -20.814 5.705 1.00 0.00 H new ATOM 359 N ASP A 27 8.807 -21.031 4.629 1.00 0.00 N ATOM 360 CA ASP A 27 8.417 -22.409 4.341 1.00 0.00 C ATOM 361 C ASP A 27 8.282 -22.672 2.843 1.00 0.00 C ATOM 362 O ASP A 27 8.441 -23.802 2.385 1.00 0.00 O ATOM 363 CB ASP A 27 7.094 -22.716 5.036 1.00 0.00 C ATOM 364 CG ASP A 27 6.683 -24.169 4.908 1.00 0.00 C ATOM 365 OD1 ASP A 27 7.254 -25.015 5.626 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.786 -24.473 4.098 1.00 0.00 O ATOM 0 H ASP A 27 8.147 -20.534 5.227 1.00 0.00 H new ATOM 0 HA ASP A 27 9.205 -23.061 4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.176 -22.459 6.092 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.313 -22.084 4.614 1.00 0.00 H new ATOM 370 N GLY A 28 7.995 -21.628 2.080 1.00 0.00 N ATOM 371 CA GLY A 28 7.839 -21.788 0.650 1.00 0.00 C ATOM 372 C GLY A 28 6.382 -21.893 0.254 1.00 0.00 C ATOM 373 O GLY A 28 6.052 -22.021 -0.924 1.00 0.00 O ATOM 0 H GLY A 28 7.868 -20.676 2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.295 -20.941 0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.370 -22.682 0.324 1.00 0.00 H new ATOM 377 N HIS A 29 5.510 -21.833 1.249 1.00 0.00 N ATOM 378 CA HIS A 29 4.077 -21.915 1.018 1.00 0.00 C ATOM 379 C HIS A 29 3.418 -20.554 1.204 1.00 0.00 C ATOM 380 O HIS A 29 3.859 -19.743 2.024 1.00 0.00 O ATOM 381 CB HIS A 29 3.438 -22.930 1.968 1.00 0.00 C ATOM 382 CG HIS A 29 3.557 -24.346 1.502 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.473 -25.098 1.114 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.637 -25.148 1.368 1.00 0.00 C ATOM 385 CE1 HIS A 29 2.879 -26.300 0.762 1.00 0.00 C ATOM 386 NE2 HIS A 29 4.189 -26.359 0.904 1.00 0.00 N ATOM 0 H HIS A 29 5.772 -21.727 2.229 1.00 0.00 H new ATOM 0 HA HIS A 29 3.922 -22.242 -0.010 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.904 -22.839 2.949 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.383 -22.685 2.092 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.662 -24.885 1.586 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.246 -27.103 0.415 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.773 -27.171 0.702 1.00 0.00 H new ATOM 394 N PRO A 30 2.369 -20.282 0.413 1.00 0.00 N ATOM 395 CA PRO A 30 1.616 -19.028 0.485 1.00 0.00 C ATOM 396 C PRO A 30 0.817 -18.906 1.782 1.00 0.00 C ATOM 397 O PRO A 30 -0.017 -19.758 2.097 1.00 0.00 O ATOM 398 CB PRO A 30 0.673 -19.101 -0.720 1.00 0.00 C ATOM 399 CG PRO A 30 0.551 -20.550 -1.035 1.00 0.00 C ATOM 400 CD PRO A 30 1.857 -21.175 -0.644 1.00 0.00 C ATOM 0 HA PRO A 30 2.274 -18.159 0.471 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.299 -18.666 -0.486 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.075 -18.546 -1.568 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.276 -21.000 -0.485 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.349 -20.702 -2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.720 -22.192 -0.277 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.543 -21.230 -1.489 1.00 0.00 H new ATOM 405 N HIS A 31 1.086 -17.849 2.526 1.00 0.00 N ATOM 406 CA HIS A 31 0.413 -17.592 3.790 1.00 0.00 C ATOM 407 C HIS A 31 -0.516 -16.392 3.640 1.00 0.00 C ATOM 408 O HIS A 31 -0.096 -15.329 3.184 1.00 0.00 O ATOM 409 CB HIS A 31 1.453 -17.333 4.890 1.00 0.00 C ATOM 410 CG HIS A 31 0.873 -17.036 6.242 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.842 -15.768 6.779 1.00 0.00 N ATOM 412 CD2 HIS A 31 0.324 -17.849 7.175 1.00 0.00 C ATOM 413 CE1 HIS A 31 0.298 -15.812 7.979 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.024 -17.061 8.244 1.00 0.00 N ATOM 0 H HIS A 31 1.777 -17.143 2.273 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.180 -18.463 4.070 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.101 -18.205 4.971 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.082 -16.496 4.587 1.00 0.00 H new ATOM 0 HD1 HIS A 31 1.187 -14.925 6.319 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.186 -18.917 7.094 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.143 -14.967 8.634 1.00 0.00 H new ATOM 422 N ALA A 32 -1.773 -16.572 4.015 1.00 0.00 N ATOM 423 CA ALA A 32 -2.764 -15.512 3.911 1.00 0.00 C ATOM 424 C ALA A 32 -2.466 -14.373 4.878 1.00 0.00 C ATOM 425 O ALA A 32 -2.311 -14.583 6.083 1.00 0.00 O ATOM 426 CB ALA A 32 -4.157 -16.066 4.157 1.00 0.00 C ATOM 0 H ALA A 32 -2.132 -17.447 4.396 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.717 -15.109 2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.888 -15.262 4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.379 -16.834 3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.205 -16.500 5.156 1.00 0.00 H new ATOM 432 N THR A 33 -2.374 -13.174 4.332 1.00 0.00 N ATOM 433 CA THR A 33 -2.103 -11.980 5.112 1.00 0.00 C ATOM 434 C THR A 33 -2.890 -10.809 4.533 1.00 0.00 C ATOM 435 O THR A 33 -3.308 -10.844 3.374 1.00 0.00 O ATOM 436 CB THR A 33 -0.593 -11.651 5.115 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.314 -10.551 5.992 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.114 -11.315 3.712 1.00 0.00 C ATOM 0 H THR A 33 -2.485 -13.000 3.333 1.00 0.00 H new ATOM 0 HA THR A 33 -2.412 -12.158 6.142 1.00 0.00 H new ATOM 0 HB THR A 33 -0.061 -12.533 5.472 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.029 -10.891 6.845 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.951 -11.086 3.736 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.288 -12.167 3.055 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.662 -10.450 3.338 1.00 0.00 H new ATOM 446 N SER A 34 -3.104 -9.787 5.339 1.00 0.00 N ATOM 447 CA SER A 34 -3.839 -8.619 4.897 1.00 0.00 C ATOM 448 C SER A 34 -3.207 -7.340 5.420 1.00 0.00 C ATOM 449 O SER A 34 -2.633 -7.319 6.507 1.00 0.00 O ATOM 450 CB SER A 34 -5.292 -8.720 5.341 1.00 0.00 C ATOM 451 OG SER A 34 -5.399 -9.198 6.675 1.00 0.00 O ATOM 0 H SER A 34 -2.779 -9.742 6.305 1.00 0.00 H new ATOM 0 HA SER A 34 -3.803 -8.584 3.808 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.765 -7.741 5.266 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.833 -9.388 4.670 1.00 0.00 H new ATOM 0 HG SER A 34 -6.344 -9.249 6.929 1.00 0.00 H new ATOM 456 N ILE A 35 -3.298 -6.284 4.632 1.00 0.00 N ATOM 457 CA ILE A 35 -2.736 -5.007 5.010 1.00 0.00 C ATOM 458 C ILE A 35 -3.762 -3.900 4.814 1.00 0.00 C ATOM 459 O ILE A 35 -4.544 -3.927 3.863 1.00 0.00 O ATOM 460 CB ILE A 35 -1.475 -4.652 4.181 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.564 -5.867 3.987 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.696 -3.528 4.845 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.844 -6.647 2.717 1.00 0.00 C ATOM 0 H ILE A 35 -3.759 -6.290 3.722 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.453 -5.090 6.059 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.817 -4.323 3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.474 -5.533 3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.675 -6.533 4.843 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.185 -3.294 4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.328 -2.643 4.922 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.386 -3.840 5.842 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.159 -7.492 2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.871 -7.013 2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.704 -5.998 1.853 1.00 0.00 H new ATOM 474 N ASN A 36 -3.756 -2.927 5.709 1.00 0.00 N ATOM 475 CA ASN A 36 -4.678 -1.806 5.615 1.00 0.00 C ATOM 476 C ASN A 36 -3.918 -0.587 5.111 1.00 0.00 C ATOM 477 O ASN A 36 -3.303 0.143 5.885 1.00 0.00 O ATOM 478 CB ASN A 36 -5.329 -1.519 6.970 1.00 0.00 C ATOM 479 CG ASN A 36 -6.537 -0.609 6.871 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.871 0.094 7.814 1.00 0.00 O ATOM 481 ND2 ASN A 36 -7.207 -0.613 5.738 1.00 0.00 N ATOM 0 H ASN A 36 -3.124 -2.890 6.509 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.477 -2.052 4.916 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.629 -2.461 7.429 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.592 -1.063 7.631 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.029 -0.019 5.629 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.904 -1.210 4.969 1.00 0.00 H new ATOM 487 N LEU A 37 -3.983 -0.376 3.801 1.00 0.00 N ATOM 488 CA LEU A 37 -3.277 0.720 3.131 1.00 0.00 C ATOM 489 C LEU A 37 -3.696 2.076 3.673 1.00 0.00 C ATOM 490 O LEU A 37 -2.981 3.065 3.517 1.00 0.00 O ATOM 491 CB LEU A 37 -3.538 0.697 1.617 1.00 0.00 C ATOM 492 CG LEU A 37 -3.165 -0.589 0.874 1.00 0.00 C ATOM 493 CD1 LEU A 37 -1.841 -1.149 1.371 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.273 -1.618 1.002 1.00 0.00 C ATOM 0 H LEU A 37 -4.528 -0.961 3.168 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.215 0.571 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.598 0.890 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.989 1.523 1.165 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.043 -0.346 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.604 -2.062 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.052 -0.414 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.917 -1.373 2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.991 -2.525 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.433 -1.852 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.193 -1.217 0.576 1.00 0.00 H new ATOM 505 N ASN A 38 -4.853 2.110 4.314 1.00 0.00 N ATOM 506 CA ASN A 38 -5.395 3.343 4.873 1.00 0.00 C ATOM 507 C ASN A 38 -4.408 4.022 5.820 1.00 0.00 C ATOM 508 O ASN A 38 -4.359 5.248 5.899 1.00 0.00 O ATOM 509 CB ASN A 38 -6.702 3.052 5.613 1.00 0.00 C ATOM 510 CG ASN A 38 -7.428 4.313 6.044 1.00 0.00 C ATOM 511 OD1 ASN A 38 -7.150 4.881 7.100 1.00 0.00 O ATOM 512 ND2 ASN A 38 -8.384 4.746 5.238 1.00 0.00 N ATOM 0 H ASN A 38 -5.442 1.290 4.462 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.584 4.024 4.043 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.356 2.464 4.969 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.489 2.443 6.491 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.920 5.578 5.484 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.585 4.248 4.371 1.00 0.00 H new ATOM 518 N TYR A 39 -3.607 3.227 6.515 1.00 0.00 N ATOM 519 CA TYR A 39 -2.641 3.772 7.462 1.00 0.00 C ATOM 520 C TYR A 39 -1.216 3.681 6.922 1.00 0.00 C ATOM 521 O TYR A 39 -0.252 3.796 7.680 1.00 0.00 O ATOM 522 CB TYR A 39 -2.733 3.036 8.803 1.00 0.00 C ATOM 523 CG TYR A 39 -4.103 3.091 9.441 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.495 4.179 10.210 1.00 0.00 C ATOM 525 CD2 TYR A 39 -5.005 2.051 9.274 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.748 4.228 10.792 1.00 0.00 C ATOM 527 CE2 TYR A 39 -6.259 2.091 9.851 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.626 3.181 10.610 1.00 0.00 C ATOM 529 OH TYR A 39 -7.876 3.223 11.191 1.00 0.00 O ATOM 0 H TYR A 39 -3.605 2.210 6.443 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.884 4.824 7.609 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.455 1.993 8.653 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.005 3.464 9.492 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.809 5.001 10.356 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.721 1.194 8.682 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.037 5.082 11.386 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.949 1.272 9.708 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.370 2.408 10.963 1.00 0.00 H new ATOM 538 N TYR A 40 -1.075 3.465 5.618 1.00 0.00 N ATOM 539 CA TYR A 40 0.254 3.364 5.022 1.00 0.00 C ATOM 540 C TYR A 40 0.425 4.293 3.826 1.00 0.00 C ATOM 541 O TYR A 40 1.547 4.664 3.487 1.00 0.00 O ATOM 542 CB TYR A 40 0.567 1.917 4.633 1.00 0.00 C ATOM 543 CG TYR A 40 0.614 0.978 5.820 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.534 1.166 6.844 1.00 0.00 C ATOM 545 CD2 TYR A 40 -0.268 -0.088 5.921 1.00 0.00 C ATOM 546 CE1 TYR A 40 1.573 0.316 7.934 1.00 0.00 C ATOM 547 CE2 TYR A 40 -0.236 -0.942 7.006 1.00 0.00 C ATOM 548 CZ TYR A 40 0.685 -0.737 8.010 1.00 0.00 C ATOM 549 OH TYR A 40 0.721 -1.592 9.090 1.00 0.00 O ATOM 0 H TYR A 40 -1.849 3.358 4.963 1.00 0.00 H new ATOM 0 HA TYR A 40 0.968 3.685 5.781 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.187 1.565 3.929 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.525 1.886 4.115 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.230 1.990 6.788 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.993 -0.253 5.137 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.295 0.476 8.721 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.930 -1.767 7.067 1.00 0.00 H new ATOM 0 HH TYR A 40 0.028 -2.278 8.988 1.00 0.00 H new ATOM 558 N ILE A 41 -0.678 4.673 3.196 1.00 0.00 N ATOM 559 CA ILE A 41 -0.635 5.573 2.048 1.00 0.00 C ATOM 560 C ILE A 41 -1.255 6.915 2.422 1.00 0.00 C ATOM 561 O ILE A 41 -2.208 6.966 3.203 1.00 0.00 O ATOM 562 CB ILE A 41 -1.378 4.978 0.828 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.523 3.937 0.105 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.804 6.064 -0.148 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.415 2.626 0.837 1.00 0.00 C ATOM 0 H ILE A 41 -1.616 4.372 3.460 1.00 0.00 H new ATOM 0 HA ILE A 41 0.410 5.711 1.770 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.272 4.486 1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.945 3.757 -0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.478 4.343 -0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.323 5.611 -0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.472 6.764 0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.923 6.597 -0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.206 1.939 0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.036 2.792 1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.409 2.197 0.963 1.00 0.00 H new ATOM 576 N GLY A 42 -0.703 7.998 1.887 1.00 0.00 N ATOM 577 CA GLY A 42 -1.220 9.316 2.190 1.00 0.00 C ATOM 578 C GLY A 42 -1.777 10.024 0.973 1.00 0.00 C ATOM 579 O GLY A 42 -1.627 9.554 -0.155 1.00 0.00 O ATOM 0 H GLY A 42 0.093 7.985 1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.003 9.229 2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.425 9.922 2.624 1.00 0.00 H new ATOM 583 N ASN A 43 -2.417 11.158 1.205 1.00 0.00 N ATOM 584 CA ASN A 43 -3.021 11.937 0.130 1.00 0.00 C ATOM 585 C ASN A 43 -2.221 13.204 -0.150 1.00 0.00 C ATOM 586 O ASN A 43 -2.152 14.110 0.687 1.00 0.00 O ATOM 587 CB ASN A 43 -4.468 12.294 0.493 1.00 0.00 C ATOM 588 CG ASN A 43 -5.126 13.245 -0.496 1.00 0.00 C ATOM 589 OD1 ASN A 43 -4.788 13.273 -1.678 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.079 14.027 -0.014 1.00 0.00 N ATOM 0 H ASN A 43 -2.534 11.564 2.133 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.016 11.330 -0.775 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.056 11.378 0.550 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.484 12.746 1.485 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.561 14.682 -0.629 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.331 13.974 0.973 1.00 0.00 H new ATOM 596 N ASP A 44 -1.612 13.258 -1.323 1.00 0.00 N ATOM 597 CA ASP A 44 -0.828 14.415 -1.729 1.00 0.00 C ATOM 598 C ASP A 44 -1.555 15.138 -2.854 1.00 0.00 C ATOM 599 O ASP A 44 -1.581 14.662 -3.979 1.00 0.00 O ATOM 600 CB ASP A 44 0.570 13.975 -2.175 1.00 0.00 C ATOM 601 CG ASP A 44 1.444 15.131 -2.627 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.671 16.065 -1.829 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.925 15.104 -3.778 1.00 0.00 O ATOM 0 H ASP A 44 -1.645 12.510 -2.015 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.712 15.096 -0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.061 13.457 -1.351 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.475 13.259 -2.991 1.00 0.00 H new ATOM 607 N ASN A 45 -2.158 16.276 -2.508 1.00 0.00 N ATOM 608 CA ASN A 45 -2.935 17.126 -3.422 1.00 0.00 C ATOM 609 C ASN A 45 -3.847 16.316 -4.359 1.00 0.00 C ATOM 610 O ASN A 45 -3.951 16.581 -5.555 1.00 0.00 O ATOM 611 CB ASN A 45 -2.031 18.142 -4.172 1.00 0.00 C ATOM 612 CG ASN A 45 -1.438 17.684 -5.505 1.00 0.00 C ATOM 613 OD1 ASN A 45 -1.160 16.512 -5.734 1.00 0.00 O ATOM 614 ND2 ASN A 45 -1.248 18.638 -6.406 1.00 0.00 N ATOM 0 H ASN A 45 -2.121 16.646 -1.558 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.613 17.716 -2.806 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.613 19.046 -4.352 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.209 18.418 -3.511 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.860 18.406 -7.320 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.490 19.604 -6.185 1.00 0.00 H new ATOM 620 N GLY A 46 -4.539 15.333 -3.794 1.00 0.00 N ATOM 621 CA GLY A 46 -5.449 14.523 -4.583 1.00 0.00 C ATOM 622 C GLY A 46 -4.778 13.337 -5.247 1.00 0.00 C ATOM 623 O GLY A 46 -5.391 12.647 -6.062 1.00 0.00 O ATOM 0 H GLY A 46 -4.487 15.083 -2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.253 14.163 -3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.908 15.147 -5.350 1.00 0.00 H new ATOM 627 N ARG A 47 -3.526 13.102 -4.907 1.00 0.00 N ATOM 628 CA ARG A 47 -2.770 11.998 -5.475 1.00 0.00 C ATOM 629 C ARG A 47 -2.355 11.016 -4.395 1.00 0.00 C ATOM 630 O ARG A 47 -2.331 11.350 -3.209 1.00 0.00 O ATOM 631 CB ARG A 47 -1.531 12.521 -6.199 1.00 0.00 C ATOM 632 CG ARG A 47 -1.640 12.478 -7.712 1.00 0.00 C ATOM 633 CD ARG A 47 -2.909 13.147 -8.212 1.00 0.00 C ATOM 634 NE ARG A 47 -2.948 14.570 -7.879 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.367 15.520 -8.712 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.813 15.198 -9.922 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.351 16.788 -8.330 1.00 0.00 N ATOM 0 H ARG A 47 -3.005 13.665 -4.235 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.411 11.481 -6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.346 13.549 -5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.666 11.934 -5.890 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.773 12.971 -8.152 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.621 11.441 -8.047 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.980 13.026 -9.293 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.776 12.649 -7.777 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.635 14.853 -6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.835 14.221 -10.214 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.134 15.928 -10.558 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.018 17.036 -7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.672 17.517 -8.967 1.00 0.00 H new ATOM 648 N LEU A 48 -2.022 9.811 -4.819 1.00 0.00 N ATOM 649 CA LEU A 48 -1.610 8.764 -3.903 1.00 0.00 C ATOM 650 C LEU A 48 -0.129 8.898 -3.588 1.00 0.00 C ATOM 651 O LEU A 48 0.720 8.786 -4.473 1.00 0.00 O ATOM 652 CB LEU A 48 -1.912 7.390 -4.509 1.00 0.00 C ATOM 653 CG LEU A 48 -3.351 7.203 -4.987 1.00 0.00 C ATOM 654 CD1 LEU A 48 -3.596 5.768 -5.407 1.00 0.00 C ATOM 655 CD2 LEU A 48 -4.326 7.614 -3.902 1.00 0.00 C ATOM 0 H LEU A 48 -2.029 9.532 -5.800 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.170 8.863 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.240 7.224 -5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.688 6.624 -3.767 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.509 7.843 -5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.627 5.658 -5.744 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.919 5.506 -6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.419 5.106 -4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.347 7.475 -4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.164 7.000 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.169 8.663 -3.650 1.00 0.00 H new ATOM 666 N GLU A 49 0.164 9.169 -2.330 1.00 0.00 N ATOM 667 CA GLU A 49 1.532 9.322 -1.871 1.00 0.00 C ATOM 668 C GLU A 49 1.962 8.072 -1.130 1.00 0.00 C ATOM 669 O GLU A 49 1.266 7.626 -0.214 1.00 0.00 O ATOM 670 CB GLU A 49 1.644 10.551 -0.970 1.00 0.00 C ATOM 671 CG GLU A 49 3.030 10.788 -0.391 1.00 0.00 C ATOM 672 CD GLU A 49 3.073 12.007 0.509 1.00 0.00 C ATOM 673 OE1 GLU A 49 2.651 11.902 1.678 1.00 0.00 O ATOM 674 OE2 GLU A 49 3.515 13.081 0.046 1.00 0.00 O ATOM 0 H GLU A 49 -0.537 9.289 -1.599 1.00 0.00 H new ATOM 0 HA GLU A 49 2.190 9.464 -2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.348 11.431 -1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.934 10.449 -0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.341 9.910 0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.745 10.913 -1.204 1.00 0.00 H new ATOM 679 N TYR A 50 3.087 7.503 -1.571 1.00 0.00 N ATOM 680 CA TYR A 50 3.652 6.285 -0.997 1.00 0.00 C ATOM 681 C TYR A 50 3.470 6.177 0.416 1.00 0.00 C ATOM 682 O TYR A 50 2.680 5.332 0.835 1.00 0.00 O ATOM 683 CB TYR A 50 5.114 6.022 -1.382 1.00 0.00 C ATOM 684 CG TYR A 50 5.843 7.137 -2.127 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.411 7.588 -3.370 1.00 0.00 C ATOM 686 CD2 TYR A 50 6.977 7.730 -1.583 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.081 8.592 -4.041 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.651 8.734 -2.248 1.00 0.00 C ATOM 689 CZ TYR A 50 7.198 9.162 -3.475 1.00 0.00 C ATOM 690 OH TYR A 50 7.869 10.164 -4.137 1.00 0.00 O ATOM 0 H TYR A 50 3.634 7.881 -2.344 1.00 0.00 H new ATOM 0 HA TYR A 50 3.062 5.495 -1.461 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.671 5.802 -0.471 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.146 5.124 -1.999 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.535 7.144 -3.819 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.338 7.398 -0.621 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.730 8.928 -5.005 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.530 9.182 -1.808 1.00 0.00 H new ATOM 0 HH TYR A 50 8.634 10.457 -3.599 1.00 0.00 H new ATOM 699 N PRO A 51 4.110 6.917 1.232 1.00 0.00 N ATOM 700 CA PRO A 51 3.845 6.656 2.521 1.00 0.00 C ATOM 701 C PRO A 51 3.079 7.750 3.196 1.00 0.00 C ATOM 702 O PRO A 51 3.516 8.898 3.306 1.00 0.00 O ATOM 703 CB PRO A 51 5.202 6.486 3.031 1.00 0.00 C ATOM 704 CG PRO A 51 5.989 7.568 2.331 1.00 0.00 C ATOM 705 CD PRO A 51 5.188 7.888 1.084 1.00 0.00 C ATOM 0 HA PRO A 51 3.193 5.799 2.691 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.239 6.601 4.114 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.594 5.495 2.802 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.102 8.448 2.965 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.993 7.226 2.079 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.826 8.916 1.071 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.761 7.740 0.169 1.00 0.00 H new ATOM 710 N GLY A 52 1.960 7.369 3.672 1.00 0.00 N ATOM 711 CA GLY A 52 1.096 8.309 4.293 1.00 0.00 C ATOM 712 C GLY A 52 0.203 7.695 5.334 1.00 0.00 C ATOM 713 O GLY A 52 0.462 6.589 5.805 1.00 0.00 O ATOM 0 H GLY A 52 1.613 6.410 3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.695 9.094 4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.480 8.785 3.530 1.00 0.00 H new ATOM 717 N GLU A 53 -0.858 8.413 5.670 1.00 0.00 N ATOM 718 CA GLU A 53 -1.821 7.975 6.670 1.00 0.00 C ATOM 719 C GLU A 53 -3.166 8.657 6.449 1.00 0.00 C ATOM 720 O GLU A 53 -3.221 9.829 6.064 1.00 0.00 O ATOM 721 CB GLU A 53 -1.310 8.284 8.085 1.00 0.00 C ATOM 722 CG GLU A 53 -0.169 7.384 8.530 1.00 0.00 C ATOM 723 CD GLU A 53 0.654 7.975 9.652 1.00 0.00 C ATOM 724 OE1 GLU A 53 0.289 7.788 10.832 1.00 0.00 O ATOM 725 OE2 GLU A 53 1.682 8.622 9.357 1.00 0.00 O ATOM 0 H GLU A 53 -1.076 9.319 5.256 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.948 6.897 6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.979 9.322 8.124 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.136 8.185 8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.576 6.426 8.853 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.481 7.184 7.678 1.00 0.00 H new ATOM 730 N SER A 54 -4.237 7.899 6.666 1.00 0.00 N ATOM 731 CA SER A 54 -5.601 8.391 6.534 1.00 0.00 C ATOM 732 C SER A 54 -5.905 8.928 5.133 1.00 0.00 C ATOM 733 O SER A 54 -6.646 9.901 4.984 1.00 0.00 O ATOM 734 CB SER A 54 -5.861 9.468 7.581 1.00 0.00 C ATOM 735 OG SER A 54 -5.467 9.033 8.873 1.00 0.00 O ATOM 0 H SER A 54 -4.180 6.918 6.941 1.00 0.00 H new ATOM 0 HA SER A 54 -6.269 7.545 6.696 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.316 10.374 7.318 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.920 9.724 7.588 1.00 0.00 H new ATOM 0 HG SER A 54 -5.643 9.743 9.525 1.00 0.00 H new ATOM 740 N PHE A 55 -5.355 8.292 4.103 1.00 0.00 N ATOM 741 CA PHE A 55 -5.611 8.736 2.738 1.00 0.00 C ATOM 742 C PHE A 55 -7.064 8.450 2.375 1.00 0.00 C ATOM 743 O PHE A 55 -7.706 9.228 1.678 1.00 0.00 O ATOM 744 CB PHE A 55 -4.661 8.063 1.732 1.00 0.00 C ATOM 745 CG PHE A 55 -5.080 6.685 1.283 1.00 0.00 C ATOM 746 CD1 PHE A 55 -5.037 5.608 2.151 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.525 6.478 -0.012 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.429 4.349 1.734 1.00 0.00 C ATOM 749 CE2 PHE A 55 -5.917 5.223 -0.435 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.871 4.157 0.441 1.00 0.00 C ATOM 0 H PHE A 55 -4.740 7.482 4.184 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.426 9.809 2.687 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.572 8.703 0.854 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.669 7.997 2.180 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.694 5.752 3.165 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.566 7.309 -0.700 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.389 3.516 2.420 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.259 5.076 -1.449 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.180 3.175 0.115 1.00 0.00 H new ATOM 759 N GLY A 56 -7.593 7.354 2.920 1.00 0.00 N ATOM 760 CA GLY A 56 -8.962 6.957 2.638 1.00 0.00 C ATOM 761 C GLY A 56 -9.966 7.985 3.101 1.00 0.00 C ATOM 762 O GLY A 56 -11.108 8.002 2.647 1.00 0.00 O ATOM 0 H GLY A 56 -7.093 6.732 3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.078 6.797 1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.169 6.005 3.126 1.00 0.00 H new ATOM 766 N SER A 57 -9.529 8.852 3.997 1.00 0.00 N ATOM 767 CA SER A 57 -10.362 9.909 4.527 1.00 0.00 C ATOM 768 C SER A 57 -10.697 10.934 3.439 1.00 0.00 C ATOM 769 O SER A 57 -11.592 11.763 3.607 1.00 0.00 O ATOM 770 CB SER A 57 -9.632 10.574 5.691 1.00 0.00 C ATOM 771 OG SER A 57 -9.476 9.666 6.771 1.00 0.00 O ATOM 0 H SER A 57 -8.582 8.840 4.377 1.00 0.00 H new ATOM 0 HA SER A 57 -11.303 9.488 4.881 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.654 10.925 5.361 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.189 11.450 6.023 1.00 0.00 H new ATOM 0 HG SER A 57 -9.152 10.149 7.560 1.00 0.00 H new ATOM 776 N SER A 58 -9.972 10.868 2.326 1.00 0.00 N ATOM 777 CA SER A 58 -10.187 11.776 1.213 1.00 0.00 C ATOM 778 C SER A 58 -9.921 11.083 -0.127 1.00 0.00 C ATOM 779 O SER A 58 -9.680 11.745 -1.138 1.00 0.00 O ATOM 780 CB SER A 58 -9.278 12.996 1.369 1.00 0.00 C ATOM 781 OG SER A 58 -7.956 12.603 1.716 1.00 0.00 O ATOM 0 H SER A 58 -9.226 10.189 2.174 1.00 0.00 H new ATOM 0 HA SER A 58 -11.229 12.094 1.220 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.261 13.563 0.438 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.679 13.657 2.137 1.00 0.00 H new ATOM 0 HG SER A 58 -7.594 13.225 2.382 1.00 0.00 H new ATOM 786 N CYS A 59 -9.965 9.753 -0.131 1.00 0.00 N ATOM 787 CA CYS A 59 -9.717 8.980 -1.340 1.00 0.00 C ATOM 788 C CYS A 59 -10.773 7.900 -1.529 1.00 0.00 C ATOM 789 O CYS A 59 -11.176 7.240 -0.573 1.00 0.00 O ATOM 790 CB CYS A 59 -8.341 8.320 -1.280 1.00 0.00 C ATOM 791 SG CYS A 59 -6.944 9.479 -1.136 1.00 0.00 S ATOM 0 H CYS A 59 -10.171 9.189 0.693 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.759 9.670 -2.182 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.318 7.637 -0.430 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.203 7.717 -2.177 1.00 0.00 H new ATOM 795 N VAL A 60 -11.205 7.721 -2.765 1.00 0.00 N ATOM 796 CA VAL A 60 -12.202 6.711 -3.101 1.00 0.00 C ATOM 797 C VAL A 60 -11.769 5.937 -4.343 1.00 0.00 C ATOM 798 O VAL A 60 -10.731 6.244 -4.928 1.00 0.00 O ATOM 799 CB VAL A 60 -13.590 7.333 -3.354 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.164 7.919 -2.074 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.510 8.394 -4.441 1.00 0.00 C ATOM 0 H VAL A 60 -10.879 8.267 -3.563 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.279 6.038 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.259 6.542 -3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.143 8.352 -2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.264 7.132 -1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.497 8.694 -1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.499 8.822 -4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.822 9.180 -4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.152 7.941 -5.366 1.00 0.00 H new ATOM 811 N LYS A 61 -12.568 4.944 -4.737 1.00 0.00 N ATOM 812 CA LYS A 61 -12.276 4.116 -5.912 1.00 0.00 C ATOM 813 C LYS A 61 -10.942 3.394 -5.758 1.00 0.00 C ATOM 814 O LYS A 61 -10.143 3.351 -6.690 1.00 0.00 O ATOM 815 CB LYS A 61 -12.269 4.947 -7.206 1.00 0.00 C ATOM 816 CG LYS A 61 -13.650 5.224 -7.790 1.00 0.00 C ATOM 817 CD LYS A 61 -14.455 6.202 -6.947 1.00 0.00 C ATOM 818 CE LYS A 61 -15.833 6.442 -7.544 1.00 0.00 C ATOM 819 NZ LYS A 61 -16.617 7.433 -6.761 1.00 0.00 N ATOM 0 H LYS A 61 -13.431 4.691 -4.255 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.073 3.376 -5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.775 5.898 -7.009 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.671 4.426 -7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.541 5.623 -8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.199 4.286 -7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.558 5.813 -5.934 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.919 7.148 -6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.727 6.794 -8.570 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.379 5.499 -7.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.549 7.566 -7.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.742 7.087 -5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.110 8.341 -6.743 1.00 0.00 H new ATOM 829 N THR A 62 -10.706 2.836 -4.578 1.00 0.00 N ATOM 830 CA THR A 62 -9.465 2.119 -4.320 1.00 0.00 C ATOM 831 C THR A 62 -9.469 0.743 -4.984 1.00 0.00 C ATOM 832 O THR A 62 -10.377 -0.062 -4.773 1.00 0.00 O ATOM 833 CB THR A 62 -9.188 1.974 -2.806 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.329 1.434 -2.125 1.00 0.00 O ATOM 835 CG2 THR A 62 -8.819 3.319 -2.201 1.00 0.00 C ATOM 0 H THR A 62 -11.353 2.866 -3.790 1.00 0.00 H new ATOM 0 HA THR A 62 -8.663 2.715 -4.756 1.00 0.00 H new ATOM 0 HB THR A 62 -8.351 1.286 -2.684 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.786 0.793 -2.709 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.627 3.198 -1.135 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.924 3.704 -2.689 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.641 4.020 -2.345 1.00 0.00 H new ATOM 843 N ALA A 63 -8.444 0.485 -5.782 1.00 0.00 N ATOM 844 CA ALA A 63 -8.310 -0.774 -6.495 1.00 0.00 C ATOM 845 C ALA A 63 -6.837 -1.111 -6.661 1.00 0.00 C ATOM 846 O ALA A 63 -5.979 -0.240 -6.524 1.00 0.00 O ATOM 847 CB ALA A 63 -8.999 -0.697 -7.851 1.00 0.00 C ATOM 0 H ALA A 63 -7.683 1.142 -5.953 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.792 -1.563 -5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.888 -1.649 -8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.058 -0.482 -7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.545 0.096 -8.446 1.00 0.00 H new ATOM 853 N LEU A 64 -6.539 -2.362 -6.961 1.00 0.00 N ATOM 854 CA LEU A 64 -5.161 -2.791 -7.121 1.00 0.00 C ATOM 855 C LEU A 64 -4.909 -3.306 -8.532 1.00 0.00 C ATOM 856 O LEU A 64 -5.497 -4.305 -8.950 1.00 0.00 O ATOM 857 CB LEU A 64 -4.834 -3.872 -6.087 1.00 0.00 C ATOM 858 CG LEU A 64 -3.625 -3.582 -5.195 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.340 -3.639 -5.995 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.765 -2.226 -4.528 1.00 0.00 C ATOM 0 H LEU A 64 -7.231 -3.098 -7.099 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.508 -1.933 -6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.707 -4.018 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.660 -4.812 -6.611 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.586 -4.349 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.494 -3.430 -5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.226 -4.632 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.374 -2.896 -6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.895 -2.039 -3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.834 -1.451 -5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.666 -2.213 -3.915 1.00 0.00 H new ATOM 871 N ASN A 65 -4.029 -2.627 -9.255 1.00 0.00 N ATOM 872 CA ASN A 65 -3.697 -3.015 -10.617 1.00 0.00 C ATOM 873 C ASN A 65 -2.482 -3.926 -10.633 1.00 0.00 C ATOM 874 O ASN A 65 -1.446 -3.615 -10.032 1.00 0.00 O ATOM 875 CB ASN A 65 -3.455 -1.785 -11.498 1.00 0.00 C ATOM 876 CG ASN A 65 -4.726 -1.282 -12.156 1.00 0.00 C ATOM 877 OD1 ASN A 65 -5.081 -1.715 -13.250 1.00 0.00 O ATOM 878 ND2 ASN A 65 -5.422 -0.364 -11.505 1.00 0.00 N ATOM 0 H ASN A 65 -3.531 -1.802 -8.919 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.547 -3.562 -11.026 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.023 -0.988 -10.893 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.724 -2.032 -12.268 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.282 0.006 -11.910 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.099 -0.027 -10.598 1.00 0.00 H new ATOM 884 N ASP A 66 -2.648 -5.069 -11.292 1.00 0.00 N ATOM 885 CA ASP A 66 -1.606 -6.094 -11.435 1.00 0.00 C ATOM 886 C ASP A 66 -1.038 -6.525 -10.079 1.00 0.00 C ATOM 887 O ASP A 66 0.085 -7.019 -9.985 1.00 0.00 O ATOM 888 CB ASP A 66 -0.487 -5.613 -12.366 1.00 0.00 C ATOM 889 CG ASP A 66 0.262 -6.767 -13.014 1.00 0.00 C ATOM 890 OD1 ASP A 66 -0.318 -7.428 -13.903 1.00 0.00 O ATOM 891 OD2 ASP A 66 1.431 -7.015 -12.648 1.00 0.00 O ATOM 0 H ASP A 66 -3.524 -5.318 -11.751 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.075 -6.969 -11.885 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.912 -4.977 -13.143 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.214 -5.000 -11.800 1.00 0.00 H new ATOM 895 N GLY A 67 -1.828 -6.325 -9.030 1.00 0.00 N ATOM 896 CA GLY A 67 -1.432 -6.713 -7.688 1.00 0.00 C ATOM 897 C GLY A 67 -0.170 -6.037 -7.168 1.00 0.00 C ATOM 898 O GLY A 67 0.528 -6.609 -6.335 1.00 0.00 O ATOM 0 H GLY A 67 -2.751 -5.894 -9.088 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.252 -6.492 -7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.283 -7.793 -7.667 1.00 0.00 H new ATOM 902 N HIS A 68 0.122 -4.825 -7.630 1.00 0.00 N ATOM 903 CA HIS A 68 1.316 -4.113 -7.164 1.00 0.00 C ATOM 904 C HIS A 68 1.125 -2.594 -7.165 1.00 0.00 C ATOM 905 O HIS A 68 1.868 -1.866 -6.507 1.00 0.00 O ATOM 906 CB HIS A 68 2.566 -4.503 -7.982 1.00 0.00 C ATOM 907 CG HIS A 68 2.493 -4.250 -9.466 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.427 -4.745 -10.354 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.608 -3.551 -10.217 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.116 -4.363 -11.578 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.018 -3.639 -11.520 1.00 0.00 N ATOM 0 H HIS A 68 -0.439 -4.319 -8.315 1.00 0.00 H new ATOM 0 HA HIS A 68 1.474 -4.422 -6.131 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.421 -3.958 -7.583 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.762 -5.563 -7.824 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.739 -3.022 -9.854 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.668 -4.603 -12.475 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.548 -3.212 -12.318 1.00 0.00 H new ATOM 919 N THR A 69 0.130 -2.121 -7.896 1.00 0.00 N ATOM 920 CA THR A 69 -0.144 -0.705 -7.982 1.00 0.00 C ATOM 921 C THR A 69 -1.512 -0.371 -7.400 1.00 0.00 C ATOM 922 O THR A 69 -2.517 -0.968 -7.776 1.00 0.00 O ATOM 923 CB THR A 69 -0.093 -0.254 -9.450 1.00 0.00 C ATOM 924 OG1 THR A 69 1.250 -0.325 -9.936 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.644 1.152 -9.619 1.00 0.00 C ATOM 0 H THR A 69 -0.504 -2.706 -8.441 1.00 0.00 H new ATOM 0 HA THR A 69 0.616 -0.179 -7.404 1.00 0.00 H new ATOM 0 HB THR A 69 -0.721 -0.927 -10.033 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.275 -0.038 -10.873 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.593 1.439 -10.669 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.681 1.179 -9.286 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.054 1.848 -9.023 1.00 0.00 H new ATOM 933 N LEU A 70 -1.547 0.578 -6.484 1.00 0.00 N ATOM 934 CA LEU A 70 -2.807 1.006 -5.892 1.00 0.00 C ATOM 935 C LEU A 70 -3.375 2.137 -6.723 1.00 0.00 C ATOM 936 O LEU A 70 -2.649 3.020 -7.152 1.00 0.00 O ATOM 937 CB LEU A 70 -2.620 1.448 -4.435 1.00 0.00 C ATOM 938 CG LEU A 70 -3.730 2.331 -3.845 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.047 1.576 -3.750 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.318 2.853 -2.478 1.00 0.00 C ATOM 0 H LEU A 70 -0.724 1.067 -6.133 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.501 0.165 -5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.527 0.556 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.676 1.988 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.878 3.177 -4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.811 2.229 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.354 1.253 -4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.921 0.704 -3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.114 3.477 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.137 2.013 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.407 3.444 -2.574 1.00 0.00 H new ATOM 951 N THR A 71 -4.661 2.089 -6.970 1.00 0.00 N ATOM 952 CA THR A 71 -5.316 3.108 -7.758 1.00 0.00 C ATOM 953 C THR A 71 -6.498 3.677 -6.998 1.00 0.00 C ATOM 954 O THR A 71 -7.305 2.924 -6.457 1.00 0.00 O ATOM 955 CB THR A 71 -5.792 2.531 -9.100 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.500 1.122 -9.153 1.00 0.00 O ATOM 957 CG2 THR A 71 -5.112 3.238 -10.261 1.00 0.00 C ATOM 0 H THR A 71 -5.280 1.351 -6.635 1.00 0.00 H new ATOM 0 HA THR A 71 -4.598 3.904 -7.953 1.00 0.00 H new ATOM 0 HB THR A 71 -6.868 2.685 -9.182 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.529 0.988 -9.131 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.464 2.814 -11.202 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.352 4.301 -10.230 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.033 3.107 -10.185 1.00 0.00 H new ATOM 965 N ALA A 72 -6.572 4.994 -6.925 1.00 0.00 N ATOM 966 CA ALA A 72 -7.665 5.657 -6.232 1.00 0.00 C ATOM 967 C ALA A 72 -7.775 7.110 -6.667 1.00 0.00 C ATOM 968 O ALA A 72 -6.882 7.647 -7.319 1.00 0.00 O ATOM 969 CB ALA A 72 -7.480 5.566 -4.723 1.00 0.00 C ATOM 0 H ALA A 72 -5.887 5.628 -7.338 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.592 5.148 -6.496 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.309 6.068 -4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.456 4.519 -4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.543 6.046 -4.442 1.00 0.00 H new ATOM 975 N SER A 73 -8.879 7.732 -6.310 1.00 0.00 N ATOM 976 CA SER A 73 -9.121 9.120 -6.643 1.00 0.00 C ATOM 977 C SER A 73 -9.216 9.918 -5.351 1.00 0.00 C ATOM 978 O SER A 73 -10.048 9.617 -4.491 1.00 0.00 O ATOM 979 CB SER A 73 -10.409 9.247 -7.457 1.00 0.00 C ATOM 980 OG SER A 73 -10.506 10.518 -8.068 1.00 0.00 O ATOM 0 H SER A 73 -9.632 7.291 -5.782 1.00 0.00 H new ATOM 0 HA SER A 73 -8.303 9.509 -7.249 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.437 8.470 -8.221 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.270 9.086 -6.808 1.00 0.00 H new ATOM 0 HG SER A 73 -11.393 10.897 -7.896 1.00 0.00 H new ATOM 985 N CYS A 74 -8.363 10.918 -5.206 1.00 0.00 N ATOM 986 CA CYS A 74 -8.346 11.719 -3.992 1.00 0.00 C ATOM 987 C CYS A 74 -8.590 13.191 -4.275 1.00 0.00 C ATOM 988 O CYS A 74 -8.259 13.698 -5.349 1.00 0.00 O ATOM 989 CB CYS A 74 -6.996 11.576 -3.298 1.00 0.00 C ATOM 990 SG CYS A 74 -6.460 9.860 -3.063 1.00 0.00 S ATOM 0 H CYS A 74 -7.677 11.194 -5.908 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.150 11.353 -3.354 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.242 12.104 -3.882 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.046 12.066 -2.325 1.00 0.00 H new ATOM 994 N LYS A 75 -9.195 13.858 -3.307 1.00 0.00 N ATOM 995 CA LYS A 75 -9.457 15.283 -3.394 1.00 0.00 C ATOM 996 C LYS A 75 -8.388 16.023 -2.595 1.00 0.00 C ATOM 997 O LYS A 75 -7.897 15.504 -1.592 1.00 0.00 O ATOM 998 CB LYS A 75 -10.869 15.598 -2.864 1.00 0.00 C ATOM 999 CG LYS A 75 -11.155 17.082 -2.672 1.00 0.00 C ATOM 1000 CD LYS A 75 -10.796 17.535 -1.262 1.00 0.00 C ATOM 1001 CE LYS A 75 -10.620 19.037 -1.177 1.00 0.00 C ATOM 1002 NZ LYS A 75 -10.274 19.473 0.201 1.00 0.00 N ATOM 0 H LYS A 75 -9.518 13.427 -2.441 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.417 15.610 -4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.603 15.186 -3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.008 15.088 -1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.586 17.662 -3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.210 17.279 -2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.578 17.222 -0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.876 17.044 -0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.836 19.351 -1.866 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.539 19.530 -1.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.161 20.507 0.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.034 19.195 0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.384 19.022 0.494 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.008 17.215 -3.038 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.009 17.967 -2.302 1.00 0.00 C ATOM 1014 C GLY A 76 -6.217 18.920 -3.165 1.00 0.00 C ATOM 1015 O GLY A 76 -5.646 19.885 -2.663 1.00 0.00 O ATOM 0 H GLY A 76 -8.366 17.669 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.501 18.530 -1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.323 17.270 -1.820 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.169 18.646 -4.460 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.434 19.494 -5.388 1.00 0.00 C ATOM 1021 C ALA A 77 -5.991 20.910 -5.399 1.00 0.00 C ATOM 1022 O ALA A 77 -5.239 21.879 -5.424 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.473 18.901 -6.784 1.00 0.00 C ATOM 0 H ALA A 77 -6.629 17.845 -4.892 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.398 19.543 -5.053 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.920 19.544 -7.468 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.019 17.910 -6.771 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.508 18.822 -7.117 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.314 21.018 -5.356 1.00 0.00 N ATOM 1030 CA ASP A 78 -7.982 22.320 -5.372 1.00 0.00 C ATOM 1031 C ASP A 78 -9.489 22.137 -5.229 1.00 0.00 C ATOM 1032 O ASP A 78 -10.267 22.527 -6.098 1.00 0.00 O ATOM 1033 CB ASP A 78 -7.654 23.071 -6.670 1.00 0.00 C ATOM 1034 CG ASP A 78 -8.161 24.500 -6.679 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -8.179 25.143 -5.608 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -8.541 24.990 -7.764 1.00 0.00 O ATOM 0 H ASP A 78 -7.948 20.221 -5.310 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.621 22.911 -4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.574 23.075 -6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.088 22.533 -7.513 1.00 0.00 H new ATOM 1040 N GLY A 79 -9.891 21.493 -4.138 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.303 21.251 -3.882 1.00 0.00 C ATOM 1042 C GLY A 79 -11.897 20.200 -4.804 1.00 0.00 C ATOM 1043 O GLY A 79 -13.081 19.876 -4.712 1.00 0.00 O ATOM 0 H GLY A 79 -9.261 21.132 -3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.431 20.934 -2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.854 22.184 -4.000 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.069 19.664 -5.685 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.498 18.645 -6.629 1.00 0.00 C ATOM 1049 C GLN A 80 -10.655 17.391 -6.468 1.00 0.00 C ATOM 1050 O GLN A 80 -9.584 17.429 -5.849 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.380 19.163 -8.065 1.00 0.00 C ATOM 1052 CG GLN A 80 -9.989 19.667 -8.426 1.00 0.00 C ATOM 1053 CD GLN A 80 -9.846 19.964 -9.906 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -10.818 20.309 -10.582 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -8.630 19.839 -10.418 1.00 0.00 N ATOM 0 H GLN A 80 -10.085 19.921 -5.766 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.541 18.404 -6.424 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.656 18.364 -8.753 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.097 19.971 -8.210 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.774 20.570 -7.855 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.249 18.922 -8.135 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -7.853 19.551 -9.823 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.471 20.031 -11.407 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.143 16.289 -7.014 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.433 15.026 -6.944 1.00 0.00 C ATOM 1064 C TYR A 81 -9.961 14.621 -8.333 1.00 0.00 C ATOM 1065 O TYR A 81 -10.386 15.202 -9.330 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.312 13.924 -6.329 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.582 13.617 -7.096 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.563 12.767 -8.194 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -13.801 14.157 -6.709 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.716 12.463 -8.884 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -14.961 13.861 -7.397 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.913 13.013 -8.484 1.00 0.00 C ATOM 1073 OH TYR A 81 -16.067 12.701 -9.166 1.00 0.00 O ATOM 0 H TYR A 81 -12.032 16.246 -7.512 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.566 15.155 -6.296 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.722 13.011 -6.251 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.580 14.218 -5.314 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.626 12.336 -8.513 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -13.843 14.819 -5.857 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.681 11.797 -9.734 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -15.901 14.291 -7.086 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.825 13.170 -8.758 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.082 13.636 -8.394 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.549 13.157 -9.662 1.00 0.00 C ATOM 1084 C HIS A 82 -8.057 11.729 -9.508 1.00 0.00 C ATOM 1085 O HIS A 82 -7.705 11.307 -8.407 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.408 14.063 -10.133 1.00 0.00 C ATOM 1087 CG HIS A 82 -7.712 14.803 -11.401 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -8.738 15.719 -11.515 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -7.115 14.761 -12.616 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -8.757 16.207 -12.738 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -7.783 15.644 -13.424 1.00 0.00 N ATOM 0 H HIS A 82 -8.719 13.148 -7.575 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.341 13.180 -10.410 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.180 14.784 -9.348 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.513 13.459 -10.281 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -9.382 15.978 -10.768 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.271 14.147 -12.896 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.452 16.943 -13.114 1.00 0.00 H new ATOM 1099 N ASP A 83 -8.072 10.982 -10.601 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.625 9.595 -10.591 1.00 0.00 C ATOM 1101 C ASP A 83 -6.112 9.532 -10.495 1.00 0.00 C ATOM 1102 O ASP A 83 -5.408 10.193 -11.258 1.00 0.00 O ATOM 1103 CB ASP A 83 -8.091 8.863 -11.854 1.00 0.00 C ATOM 1104 CG ASP A 83 -9.590 8.658 -11.903 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -10.319 9.619 -12.234 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -10.044 7.534 -11.613 1.00 0.00 O ATOM 0 H ASP A 83 -8.390 11.314 -11.511 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.063 9.105 -9.721 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.779 9.430 -12.731 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.596 7.894 -11.908 1.00 0.00 H new ATOM 1110 N SER A 84 -5.618 8.744 -9.558 1.00 0.00 N ATOM 1111 CA SER A 84 -4.191 8.604 -9.355 1.00 0.00 C ATOM 1112 C SER A 84 -3.840 7.163 -9.008 1.00 0.00 C ATOM 1113 O SER A 84 -4.719 6.353 -8.708 1.00 0.00 O ATOM 1114 CB SER A 84 -3.743 9.542 -8.233 1.00 0.00 C ATOM 1115 OG SER A 84 -2.333 9.542 -8.087 1.00 0.00 O ATOM 0 H SER A 84 -6.190 8.188 -8.922 1.00 0.00 H new ATOM 0 HA SER A 84 -3.673 8.869 -10.276 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.088 10.554 -8.444 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.207 9.236 -7.295 1.00 0.00 H new ATOM 0 HG SER A 84 -1.913 9.633 -8.968 1.00 0.00 H new ATOM 1120 N SER A 85 -2.559 6.839 -9.068 1.00 0.00 N ATOM 1121 CA SER A 85 -2.096 5.505 -8.740 1.00 0.00 C ATOM 1122 C SER A 85 -0.825 5.597 -7.912 1.00 0.00 C ATOM 1123 O SER A 85 -0.174 6.642 -7.873 1.00 0.00 O ATOM 1124 CB SER A 85 -1.833 4.684 -9.998 1.00 0.00 C ATOM 1125 OG SER A 85 -2.530 5.212 -11.118 1.00 0.00 O ATOM 0 H SER A 85 -1.820 7.486 -9.342 1.00 0.00 H new ATOM 0 HA SER A 85 -2.876 5.004 -8.167 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.763 4.669 -10.207 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.139 3.651 -9.831 1.00 0.00 H new ATOM 0 HG SER A 85 -2.340 4.665 -11.909 1.00 0.00 H new ATOM 1130 N MET A 86 -0.481 4.507 -7.257 1.00 0.00 N ATOM 1131 CA MET A 86 0.699 4.459 -6.425 1.00 0.00 C ATOM 1132 C MET A 86 1.350 3.088 -6.496 1.00 0.00 C ATOM 1133 O MET A 86 0.713 2.078 -6.196 1.00 0.00 O ATOM 1134 CB MET A 86 0.326 4.759 -4.975 1.00 0.00 C ATOM 1135 CG MET A 86 1.509 4.752 -4.017 1.00 0.00 C ATOM 1136 SD MET A 86 2.550 6.225 -4.165 1.00 0.00 S ATOM 1137 CE MET A 86 3.318 6.025 -5.769 1.00 0.00 C ATOM 0 H MET A 86 -1.010 3.635 -7.287 1.00 0.00 H new ATOM 0 HA MET A 86 1.403 5.207 -6.789 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.159 5.734 -4.930 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.405 4.023 -4.639 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.140 4.676 -2.994 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.115 3.866 -4.204 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.204 6.657 -5.830 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.606 4.983 -5.907 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.613 6.313 -6.549 1.00 0.00 H new ATOM 1145 N ASP A 87 2.604 3.046 -6.911 1.00 0.00 N ATOM 1146 CA ASP A 87 3.330 1.794 -6.975 1.00 0.00 C ATOM 1147 C ASP A 87 3.718 1.386 -5.562 1.00 0.00 C ATOM 1148 O ASP A 87 4.631 1.954 -4.964 1.00 0.00 O ATOM 1149 CB ASP A 87 4.576 1.929 -7.854 1.00 0.00 C ATOM 1150 CG ASP A 87 4.241 2.172 -9.313 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.084 3.345 -9.704 1.00 0.00 O ATOM 1152 OD2 ASP A 87 4.129 1.190 -10.077 1.00 0.00 O ATOM 0 H ASP A 87 3.138 3.863 -7.208 1.00 0.00 H new ATOM 0 HA ASP A 87 2.695 1.029 -7.421 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.189 2.751 -7.485 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.175 1.022 -7.769 1.00 0.00 H new ATOM 1156 N LEU A 88 3.017 0.392 -5.043 1.00 0.00 N ATOM 1157 CA LEU A 88 3.241 -0.103 -3.688 1.00 0.00 C ATOM 1158 C LEU A 88 4.509 -0.927 -3.627 1.00 0.00 C ATOM 1159 O LEU A 88 4.946 -1.334 -2.550 1.00 0.00 O ATOM 1160 CB LEU A 88 2.058 -0.951 -3.232 1.00 0.00 C ATOM 1161 CG LEU A 88 0.674 -0.378 -3.547 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.412 -1.302 -3.020 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.528 1.015 -2.950 1.00 0.00 C ATOM 0 H LEU A 88 2.276 -0.097 -5.546 1.00 0.00 H new ATOM 0 HA LEU A 88 3.344 0.755 -3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.139 -1.934 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.134 -1.099 -2.155 1.00 0.00 H new ATOM 0 HG LEU A 88 0.566 -0.301 -4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.391 -0.882 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.317 -2.281 -3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.308 -1.407 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.461 1.409 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.652 0.962 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.288 1.673 -3.371 1.00 0.00 H new ATOM 1174 N ASN A 89 5.066 -1.196 -4.797 1.00 0.00 N ATOM 1175 CA ASN A 89 6.302 -1.971 -4.924 1.00 0.00 C ATOM 1176 C ASN A 89 7.382 -1.501 -3.949 1.00 0.00 C ATOM 1177 O ASN A 89 8.201 -2.300 -3.496 1.00 0.00 O ATOM 1178 CB ASN A 89 6.830 -1.893 -6.359 1.00 0.00 C ATOM 1179 CG ASN A 89 6.005 -2.721 -7.323 1.00 0.00 C ATOM 1180 OD1 ASN A 89 5.011 -2.250 -7.872 1.00 0.00 O ATOM 1181 ND2 ASN A 89 6.420 -3.958 -7.543 1.00 0.00 N ATOM 0 H ASN A 89 4.679 -0.886 -5.688 1.00 0.00 H new ATOM 0 HA ASN A 89 6.061 -3.005 -4.676 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.832 -0.853 -6.687 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.864 -2.236 -6.382 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.910 -4.560 -8.189 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.250 -4.310 -7.066 1.00 0.00 H new ATOM 1187 N TYR A 90 7.374 -0.217 -3.604 1.00 0.00 N ATOM 1188 CA TYR A 90 8.366 0.312 -2.676 1.00 0.00 C ATOM 1189 C TYR A 90 7.705 0.918 -1.443 1.00 0.00 C ATOM 1190 O TYR A 90 8.280 1.782 -0.776 1.00 0.00 O ATOM 1191 CB TYR A 90 9.281 1.330 -3.367 1.00 0.00 C ATOM 1192 CG TYR A 90 8.560 2.441 -4.099 1.00 0.00 C ATOM 1193 CD1 TYR A 90 8.176 3.603 -3.442 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.279 2.331 -5.454 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.535 4.622 -4.116 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.634 3.345 -6.135 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.264 4.489 -5.461 1.00 0.00 C ATOM 1198 OH TYR A 90 6.634 5.510 -6.133 1.00 0.00 O ATOM 0 H TYR A 90 6.701 0.468 -3.948 1.00 0.00 H new ATOM 0 HA TYR A 90 8.984 -0.522 -2.343 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.937 1.774 -2.618 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.918 0.801 -4.076 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.382 3.710 -2.387 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.570 1.437 -5.985 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.246 5.521 -3.592 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.421 3.242 -7.189 1.00 0.00 H new ATOM 0 HH TYR A 90 6.257 6.143 -5.487 1.00 0.00 H new ATOM 1207 N VAL A 91 6.486 0.472 -1.149 1.00 0.00 N ATOM 1208 CA VAL A 91 5.771 0.960 0.024 1.00 0.00 C ATOM 1209 C VAL A 91 5.298 -0.211 0.888 1.00 0.00 C ATOM 1210 O VAL A 91 4.835 -0.024 2.015 1.00 0.00 O ATOM 1211 CB VAL A 91 4.585 1.891 -0.341 1.00 0.00 C ATOM 1212 CG1 VAL A 91 4.925 2.768 -1.519 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.298 1.150 -0.604 1.00 0.00 C ATOM 0 H VAL A 91 5.978 -0.219 -1.701 1.00 0.00 H new ATOM 0 HA VAL A 91 6.475 1.563 0.598 1.00 0.00 H new ATOM 0 HB VAL A 91 4.418 2.513 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.075 3.410 -1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.790 3.385 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.156 2.144 -2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.512 1.863 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.439 0.460 -1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.012 0.591 0.287 1.00 0.00 H new ATOM 1223 N VAL A 92 5.434 -1.423 0.353 1.00 0.00 N ATOM 1224 CA VAL A 92 5.042 -2.633 1.066 1.00 0.00 C ATOM 1225 C VAL A 92 5.801 -3.847 0.535 1.00 0.00 C ATOM 1226 O VAL A 92 6.004 -3.990 -0.675 1.00 0.00 O ATOM 1227 CB VAL A 92 3.517 -2.881 0.980 1.00 0.00 C ATOM 1228 CG1 VAL A 92 3.044 -2.955 -0.459 1.00 0.00 C ATOM 1229 CG2 VAL A 92 3.120 -4.138 1.743 1.00 0.00 C ATOM 0 H VAL A 92 5.815 -1.591 -0.578 1.00 0.00 H new ATOM 0 HA VAL A 92 5.300 -2.486 2.115 1.00 0.00 H new ATOM 0 HB VAL A 92 3.024 -2.029 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.968 -3.130 -0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.269 -2.016 -0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.555 -3.772 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.043 -4.286 1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.637 -4.999 1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.396 -4.029 2.792 1.00 0.00 H new ATOM 1239 N GLY A 93 6.241 -4.706 1.445 1.00 0.00 N ATOM 1240 CA GLY A 93 6.971 -5.890 1.057 1.00 0.00 C ATOM 1241 C GLY A 93 6.471 -7.123 1.769 1.00 0.00 C ATOM 1242 O GLY A 93 5.572 -7.043 2.609 1.00 0.00 O ATOM 0 H GLY A 93 6.103 -4.600 2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.883 -6.033 -0.020 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.030 -5.750 1.275 1.00 0.00 H new ATOM 1246 N ASN A 94 7.049 -8.262 1.434 1.00 0.00 N ATOM 1247 CA ASN A 94 6.663 -9.524 2.042 1.00 0.00 C ATOM 1248 C ASN A 94 7.764 -10.035 2.955 1.00 0.00 C ATOM 1249 O ASN A 94 8.904 -10.217 2.523 1.00 0.00 O ATOM 1250 CB ASN A 94 6.376 -10.582 0.974 1.00 0.00 C ATOM 1251 CG ASN A 94 6.113 -11.951 1.580 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.462 -12.075 2.618 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.659 -12.982 0.960 1.00 0.00 N ATOM 0 H ASN A 94 7.792 -8.340 0.740 1.00 0.00 H new ATOM 0 HA ASN A 94 5.758 -9.345 2.623 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.512 -10.275 0.384 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.223 -10.645 0.291 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.548 -13.922 1.339 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.191 -12.838 0.102 1.00 0.00 H new ATOM 1259 N SER A 95 7.429 -10.267 4.209 1.00 0.00 N ATOM 1260 CA SER A 95 8.394 -10.778 5.158 1.00 0.00 C ATOM 1261 C SER A 95 7.834 -12.010 5.841 1.00 0.00 C ATOM 1262 O SER A 95 6.997 -11.908 6.737 1.00 0.00 O ATOM 1263 CB SER A 95 8.748 -9.728 6.200 1.00 0.00 C ATOM 1264 OG SER A 95 9.959 -10.048 6.864 1.00 0.00 O ATOM 0 H SER A 95 6.497 -10.110 4.592 1.00 0.00 H new ATOM 0 HA SER A 95 9.303 -11.039 4.616 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.840 -8.754 5.720 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.941 -9.649 6.929 1.00 0.00 H new ATOM 0 HG SER A 95 10.162 -9.355 7.527 1.00 0.00 H new ATOM 1269 N TYR A 96 8.286 -13.167 5.381 1.00 0.00 N ATOM 1270 CA TYR A 96 7.860 -14.446 5.934 1.00 0.00 C ATOM 1271 C TYR A 96 6.346 -14.617 5.846 1.00 0.00 C ATOM 1272 O TYR A 96 5.698 -15.018 6.812 1.00 0.00 O ATOM 1273 CB TYR A 96 8.334 -14.577 7.384 1.00 0.00 C ATOM 1274 CG TYR A 96 9.837 -14.619 7.522 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.530 -15.816 7.401 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.566 -13.462 7.766 1.00 0.00 C ATOM 1277 CE1 TYR A 96 11.905 -15.860 7.520 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.941 -13.499 7.887 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.605 -14.699 7.763 1.00 0.00 C ATOM 1280 OH TYR A 96 13.978 -14.737 7.881 1.00 0.00 O ATOM 0 H TYR A 96 8.956 -13.247 4.616 1.00 0.00 H new ATOM 0 HA TYR A 96 8.315 -15.239 5.340 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.947 -13.738 7.962 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.911 -15.484 7.816 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.984 -16.728 7.211 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.049 -12.519 7.863 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.429 -16.800 7.423 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.493 -12.591 8.078 1.00 0.00 H new ATOM 0 HH TYR A 96 14.317 -13.833 8.050 1.00 0.00 H new ATOM 1289 N GLY A 97 5.793 -14.331 4.669 1.00 0.00 N ATOM 1290 CA GLY A 97 4.362 -14.459 4.453 1.00 0.00 C ATOM 1291 C GLY A 97 3.542 -13.600 5.392 1.00 0.00 C ATOM 1292 O GLY A 97 2.379 -13.904 5.666 1.00 0.00 O ATOM 0 H GLY A 97 6.317 -14.010 3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.130 -14.186 3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.073 -15.503 4.579 1.00 0.00 H new ATOM 1296 N TYR A 98 4.135 -12.526 5.882 1.00 0.00 N ATOM 1297 CA TYR A 98 3.448 -11.643 6.804 1.00 0.00 C ATOM 1298 C TYR A 98 3.570 -10.200 6.335 1.00 0.00 C ATOM 1299 O TYR A 98 4.557 -9.824 5.698 1.00 0.00 O ATOM 1300 CB TYR A 98 4.030 -11.804 8.210 1.00 0.00 C ATOM 1301 CG TYR A 98 3.046 -11.502 9.321 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.155 -12.473 9.760 1.00 0.00 C ATOM 1303 CD2 TYR A 98 3.012 -10.257 9.931 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.258 -12.212 10.776 1.00 0.00 C ATOM 1305 CE2 TYR A 98 2.120 -9.986 10.953 1.00 0.00 C ATOM 1306 CZ TYR A 98 1.244 -10.967 11.370 1.00 0.00 C ATOM 1307 OH TYR A 98 0.359 -10.709 12.395 1.00 0.00 O ATOM 0 H TYR A 98 5.089 -12.246 5.657 1.00 0.00 H new ATOM 0 HA TYR A 98 2.391 -11.907 6.833 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.393 -12.825 8.327 1.00 0.00 H new ATOM 0 HB3 TYR A 98 4.892 -11.145 8.313 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.164 -13.449 9.298 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.693 -9.486 9.603 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.571 -12.978 11.104 1.00 0.00 H new ATOM 0 HE2 TYR A 98 2.109 -9.013 11.421 1.00 0.00 H new ATOM 0 HH TYR A 98 0.477 -9.787 12.705 1.00 0.00 H new ATOM 1316 N MET A 99 2.547 -9.415 6.643 1.00 0.00 N ATOM 1317 CA MET A 99 2.491 -8.008 6.260 1.00 0.00 C ATOM 1318 C MET A 99 3.667 -7.199 6.813 1.00 0.00 C ATOM 1319 O MET A 99 3.861 -7.105 8.027 1.00 0.00 O ATOM 1320 CB MET A 99 1.171 -7.382 6.731 1.00 0.00 C ATOM 1321 CG MET A 99 0.944 -7.483 8.234 1.00 0.00 C ATOM 1322 SD MET A 99 -0.520 -6.588 8.787 1.00 0.00 S ATOM 1323 CE MET A 99 -0.481 -6.924 10.548 1.00 0.00 C ATOM 0 H MET A 99 1.731 -9.734 7.166 1.00 0.00 H new ATOM 0 HA MET A 99 2.553 -7.975 5.172 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.154 -6.332 6.440 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.344 -7.869 6.215 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.848 -8.533 8.512 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.819 -7.094 8.755 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.327 -6.435 11.031 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.540 -8.000 10.715 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.448 -6.542 10.971 1.00 0.00 H new ATOM 1331 N GLU A 100 4.450 -6.632 5.904 1.00 0.00 N ATOM 1332 CA GLU A 100 5.590 -5.792 6.260 1.00 0.00 C ATOM 1333 C GLU A 100 5.729 -4.650 5.257 1.00 0.00 C ATOM 1334 O GLU A 100 6.559 -4.698 4.348 1.00 0.00 O ATOM 1335 CB GLU A 100 6.884 -6.605 6.318 1.00 0.00 C ATOM 1336 CG GLU A 100 7.128 -7.266 7.664 1.00 0.00 C ATOM 1337 CD GLU A 100 7.431 -6.265 8.761 1.00 0.00 C ATOM 1338 OE1 GLU A 100 8.611 -5.879 8.911 1.00 0.00 O ATOM 1339 OE2 GLU A 100 6.495 -5.865 9.479 1.00 0.00 O ATOM 0 H GLU A 100 4.314 -6.741 4.899 1.00 0.00 H new ATOM 0 HA GLU A 100 5.410 -5.379 7.253 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.855 -7.373 5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.725 -5.951 6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.250 -7.849 7.942 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.960 -7.965 7.576 1.00 0.00 H new ATOM 1344 N PRO A 101 4.889 -3.617 5.394 1.00 0.00 N ATOM 1345 CA PRO A 101 4.914 -2.460 4.502 1.00 0.00 C ATOM 1346 C PRO A 101 6.091 -1.535 4.774 1.00 0.00 C ATOM 1347 O PRO A 101 6.033 -0.651 5.631 1.00 0.00 O ATOM 1348 CB PRO A 101 3.596 -1.754 4.793 1.00 0.00 C ATOM 1349 CG PRO A 101 3.255 -2.136 6.191 1.00 0.00 C ATOM 1350 CD PRO A 101 3.846 -3.500 6.425 1.00 0.00 C ATOM 0 HA PRO A 101 5.030 -2.757 3.460 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.697 -0.673 4.692 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.818 -2.068 4.097 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.659 -1.413 6.899 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.175 -2.153 6.335 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.264 -3.587 7.428 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.095 -4.283 6.324 1.00 0.00 H new ATOM 1355 N CYS A 102 7.160 -1.757 4.041 1.00 0.00 N ATOM 1356 CA CYS A 102 8.362 -0.955 4.168 1.00 0.00 C ATOM 1357 C CYS A 102 8.404 0.105 3.076 1.00 0.00 C ATOM 1358 O CYS A 102 8.518 -0.208 1.892 1.00 0.00 O ATOM 1359 CB CYS A 102 9.601 -1.847 4.106 1.00 0.00 C ATOM 1360 SG CYS A 102 9.413 -3.310 3.025 1.00 0.00 S ATOM 0 H CYS A 102 7.223 -2.496 3.341 1.00 0.00 H new ATOM 0 HA CYS A 102 8.351 -0.451 5.135 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.445 -1.254 3.754 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.845 -2.182 5.114 1.00 0.00 H new ATOM 1364 N ARG A 103 8.278 1.357 3.480 1.00 0.00 N ATOM 1365 CA ARG A 103 8.301 2.460 2.536 1.00 0.00 C ATOM 1366 C ARG A 103 9.735 2.903 2.283 1.00 0.00 C ATOM 1367 O ARG A 103 10.574 2.865 3.183 1.00 0.00 O ATOM 1368 CB ARG A 103 7.469 3.644 3.053 1.00 0.00 C ATOM 1369 CG ARG A 103 8.214 4.569 4.014 1.00 0.00 C ATOM 1370 CD ARG A 103 8.459 3.932 5.374 1.00 0.00 C ATOM 1371 NE ARG A 103 7.235 3.844 6.171 1.00 0.00 N ATOM 1372 CZ ARG A 103 7.178 4.120 7.478 1.00 0.00 C ATOM 1373 NH1 ARG A 103 8.266 4.525 8.125 1.00 0.00 N ATOM 1374 NH2 ARG A 103 6.030 4.014 8.136 1.00 0.00 N ATOM 0 H ARG A 103 8.159 1.635 4.454 1.00 0.00 H new ATOM 0 HA ARG A 103 7.862 2.115 1.600 1.00 0.00 H new ATOM 0 HB2 ARG A 103 7.123 4.229 2.201 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.582 3.257 3.555 1.00 0.00 H new ATOM 0 HG2 ARG A 103 9.170 4.851 3.572 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.641 5.487 4.146 1.00 0.00 H new ATOM 0 HD2 ARG A 103 8.874 2.933 5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 103 9.203 4.514 5.917 1.00 0.00 H new ATOM 0 HE ARG A 103 6.376 3.556 5.703 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.149 4.626 7.624 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.218 4.735 9.122 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.186 3.721 7.645 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.992 4.226 9.133 1.00 0.00 H new ATOM 1385 N ALA A 104 10.019 3.313 1.061 1.00 0.00 N ATOM 1386 CA ALA A 104 11.351 3.777 0.712 1.00 0.00 C ATOM 1387 C ALA A 104 11.384 5.301 0.649 1.00 0.00 C ATOM 1388 O ALA A 104 11.979 5.890 -0.255 1.00 0.00 O ATOM 1389 CB ALA A 104 11.795 3.165 -0.609 1.00 0.00 C ATOM 0 H ALA A 104 9.347 3.335 0.294 1.00 0.00 H new ATOM 0 HA ALA A 104 12.049 3.456 1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.795 3.522 -0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.809 2.079 -0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.100 3.456 -1.397 1.00 0.00 H new ATOM 1395 N SER A 105 10.730 5.931 1.618 1.00 0.00 N ATOM 1396 CA SER A 105 10.659 7.376 1.697 1.00 0.00 C ATOM 1397 C SER A 105 10.144 7.789 3.076 1.00 0.00 C ATOM 1398 O SER A 105 10.739 7.442 4.095 1.00 0.00 O ATOM 1399 CB SER A 105 9.753 7.910 0.575 1.00 0.00 C ATOM 1400 OG SER A 105 9.640 9.323 0.613 1.00 0.00 O ATOM 0 H SER A 105 10.235 5.450 2.369 1.00 0.00 H new ATOM 0 HA SER A 105 11.652 7.806 1.564 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.153 7.604 -0.391 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.762 7.464 0.665 1.00 0.00 H new ATOM 0 HG SER A 105 8.766 9.591 0.261 1.00 0.00 H new ATOM 1405 N ASN A 106 9.031 8.511 3.084 1.00 0.00 N ATOM 1406 CA ASN A 106 8.384 9.004 4.307 1.00 0.00 C ATOM 1407 C ASN A 106 9.234 10.103 4.941 1.00 0.00 C ATOM 1408 O ASN A 106 9.095 10.429 6.118 1.00 0.00 O ATOM 1409 CB ASN A 106 8.112 7.858 5.298 1.00 0.00 C ATOM 1410 CG ASN A 106 7.109 8.226 6.383 1.00 0.00 C ATOM 1411 OD1 ASN A 106 7.480 8.635 7.482 1.00 0.00 O ATOM 1412 ND2 ASN A 106 5.827 8.088 6.075 1.00 0.00 N ATOM 0 H ASN A 106 8.540 8.778 2.231 1.00 0.00 H new ATOM 0 HA ASN A 106 7.416 9.429 4.040 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.742 6.992 4.749 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.051 7.561 5.766 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.110 8.324 6.760 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.558 7.746 5.153 1.00 0.00 H new ATOM 1418 N ALA A 107 10.103 10.683 4.129 1.00 0.00 N ATOM 1419 CA ALA A 107 10.981 11.749 4.569 1.00 0.00 C ATOM 1420 C ALA A 107 10.980 12.872 3.544 1.00 0.00 C ATOM 1421 O ALA A 107 11.404 12.685 2.402 1.00 0.00 O ATOM 1422 CB ALA A 107 12.391 11.227 4.791 1.00 0.00 C ATOM 0 H ALA A 107 10.218 10.427 3.148 1.00 0.00 H new ATOM 0 HA ALA A 107 10.614 12.138 5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 107 13.033 12.043 5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 107 12.375 10.448 5.553 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.777 10.815 3.859 1.00 0.00 H new ATOM 1428 N ASP A 108 10.489 14.026 3.955 1.00 0.00 N ATOM 1429 CA ASP A 108 10.408 15.192 3.084 1.00 0.00 C ATOM 1430 C ASP A 108 10.554 16.445 3.945 1.00 0.00 C ATOM 1431 O ASP A 108 11.015 16.355 5.086 1.00 0.00 O ATOM 1432 CB ASP A 108 9.060 15.192 2.340 1.00 0.00 C ATOM 1433 CG ASP A 108 9.040 16.089 1.112 1.00 0.00 C ATOM 1434 OD1 ASP A 108 8.783 17.302 1.258 1.00 0.00 O ATOM 1435 OD2 ASP A 108 9.272 15.581 -0.003 1.00 0.00 O ATOM 0 H ASP A 108 10.135 14.185 4.898 1.00 0.00 H new ATOM 0 HA ASP A 108 11.204 15.169 2.339 1.00 0.00 H new ATOM 0 HB2 ASP A 108 8.822 14.172 2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 108 8.276 15.513 3.026 1.00 0.00 H new ATOM 1439 N HIS A 109 10.175 17.600 3.418 1.00 0.00 N ATOM 1440 CA HIS A 109 10.260 18.843 4.171 1.00 0.00 C ATOM 1441 C HIS A 109 9.221 18.818 5.280 1.00 0.00 C ATOM 1442 O HIS A 109 9.547 18.891 6.464 1.00 0.00 O ATOM 1443 CB HIS A 109 10.019 20.060 3.272 1.00 0.00 C ATOM 1444 CG HIS A 109 10.982 20.188 2.134 1.00 0.00 C ATOM 1445 ND1 HIS A 109 10.583 20.457 0.844 1.00 0.00 N ATOM 1446 CD2 HIS A 109 12.334 20.106 2.097 1.00 0.00 C ATOM 1447 CE1 HIS A 109 11.642 20.534 0.063 1.00 0.00 C ATOM 1448 NE2 HIS A 109 12.715 20.326 0.799 1.00 0.00 N ATOM 0 H HIS A 109 9.806 17.703 2.473 1.00 0.00 H new ATOM 0 HA HIS A 109 11.263 18.928 4.589 1.00 0.00 H new ATOM 0 HB2 HIS A 109 9.007 20.006 2.871 1.00 0.00 H new ATOM 0 HB3 HIS A 109 10.073 20.963 3.881 1.00 0.00 H new ATOM 0 HD2 HIS A 109 12.988 19.905 2.933 1.00 0.00 H new ATOM 0 HE1 HIS A 109 11.632 20.733 -0.998 1.00 0.00 H new ATOM 0 HE2 HIS A 109 13.676 20.328 0.457 1.00 0.00 H new ATOM 1456 N VAL A 110 7.964 18.682 4.881 1.00 0.00 N ATOM 1457 CA VAL A 110 6.863 18.631 5.825 1.00 0.00 C ATOM 1458 C VAL A 110 6.366 17.189 5.949 1.00 0.00 C ATOM 1459 O VAL A 110 5.183 16.875 5.807 1.00 0.00 O ATOM 1460 CB VAL A 110 5.731 19.612 5.425 1.00 0.00 C ATOM 1461 CG1 VAL A 110 5.132 19.242 4.082 1.00 0.00 C ATOM 1462 CG2 VAL A 110 4.660 19.694 6.505 1.00 0.00 C ATOM 0 H VAL A 110 7.683 18.605 3.903 1.00 0.00 H new ATOM 0 HA VAL A 110 7.214 18.956 6.805 1.00 0.00 H new ATOM 0 HB VAL A 110 6.174 20.603 5.327 1.00 0.00 H new ATOM 0 HG11 VAL A 110 4.341 19.948 3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.907 19.276 3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.717 18.236 4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 110 3.881 20.390 6.193 1.00 0.00 H new ATOM 0 HG22 VAL A 110 4.224 18.707 6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 110 5.108 20.043 7.435 1.00 0.00 H new ATOM 1472 N LEU A 111 7.317 16.315 6.217 1.00 0.00 N ATOM 1473 CA LEU A 111 7.053 14.893 6.373 1.00 0.00 C ATOM 1474 C LEU A 111 8.144 14.263 7.218 1.00 0.00 C ATOM 1475 O LEU A 111 9.177 13.836 6.701 1.00 0.00 O ATOM 1476 CB LEU A 111 6.993 14.192 5.015 1.00 0.00 C ATOM 1477 CG LEU A 111 6.495 12.743 5.048 1.00 0.00 C ATOM 1478 CD1 LEU A 111 5.102 12.668 5.655 1.00 0.00 C ATOM 1479 CD2 LEU A 111 6.502 12.148 3.647 1.00 0.00 C ATOM 0 H LEU A 111 8.298 16.569 6.333 1.00 0.00 H new ATOM 0 HA LEU A 111 6.087 14.777 6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.343 14.767 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.989 14.207 4.573 1.00 0.00 H new ATOM 0 HG LEU A 111 7.171 12.160 5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.767 11.631 5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.128 13.055 6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.412 13.264 5.058 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.146 11.119 3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.849 12.733 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 111 7.517 12.166 3.249 1.00 0.00 H new ATOM 1490 N LYS A 112 7.922 14.232 8.516 1.00 0.00 N ATOM 1491 CA LYS A 112 8.883 13.654 9.429 1.00 0.00 C ATOM 1492 C LYS A 112 8.382 12.311 9.940 1.00 0.00 C ATOM 1493 O LYS A 112 7.239 12.193 10.389 1.00 0.00 O ATOM 1494 CB LYS A 112 9.177 14.611 10.593 1.00 0.00 C ATOM 1495 CG LYS A 112 7.947 15.077 11.365 1.00 0.00 C ATOM 1496 CD LYS A 112 8.341 16.000 12.507 1.00 0.00 C ATOM 1497 CE LYS A 112 7.139 16.490 13.303 1.00 0.00 C ATOM 1498 NZ LYS A 112 6.255 17.380 12.503 1.00 0.00 N ATOM 0 H LYS A 112 7.082 14.601 8.962 1.00 0.00 H new ATOM 0 HA LYS A 112 9.817 13.491 8.891 1.00 0.00 H new ATOM 0 HB2 LYS A 112 9.859 14.118 11.286 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.697 15.486 10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.265 15.596 10.691 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.411 14.213 11.758 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.025 15.475 13.174 1.00 0.00 H new ATOM 0 HD3 LYS A 112 8.881 16.858 12.107 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.565 15.633 13.654 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.486 17.025 14.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 5.499 17.755 13.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.813 18.169 12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 5.834 16.839 11.721 1.00 0.00 H new ATOM 1508 N SER A 113 9.230 11.297 9.838 1.00 0.00 N ATOM 1509 CA SER A 113 8.897 9.949 10.294 1.00 0.00 C ATOM 1510 C SER A 113 8.870 9.865 11.825 1.00 0.00 C ATOM 1511 O SER A 113 9.594 9.072 12.429 1.00 0.00 O ATOM 1512 CB SER A 113 9.918 8.947 9.745 1.00 0.00 C ATOM 1513 OG SER A 113 10.074 9.078 8.340 1.00 0.00 O ATOM 0 H SER A 113 10.165 11.382 9.439 1.00 0.00 H new ATOM 0 HA SER A 113 7.902 9.706 9.922 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.880 9.101 10.235 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.598 7.933 9.983 1.00 0.00 H new ATOM 0 HG SER A 113 9.206 8.956 7.902 1.00 0.00 H new ATOM 1518 N SER A 114 8.047 10.691 12.452 1.00 0.00 N ATOM 1519 CA SER A 114 7.930 10.708 13.900 1.00 0.00 C ATOM 1520 C SER A 114 6.544 11.189 14.313 1.00 0.00 C ATOM 1521 O SER A 114 6.102 12.262 13.903 1.00 0.00 O ATOM 1522 CB SER A 114 9.009 11.609 14.510 1.00 0.00 C ATOM 1523 OG SER A 114 10.309 11.167 14.145 1.00 0.00 O ATOM 0 H SER A 114 7.446 11.363 11.975 1.00 0.00 H new ATOM 0 HA SER A 114 8.072 9.694 14.273 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.863 12.636 14.174 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.914 11.612 15.596 1.00 0.00 H new ATOM 0 HG SER A 114 10.980 11.759 14.545 1.00 0.00 H new ATOM 1528 N SER A 115 5.860 10.383 15.110 1.00 0.00 N ATOM 1529 CA SER A 115 4.527 10.719 15.590 1.00 0.00 C ATOM 1530 C SER A 115 4.627 11.675 16.768 1.00 0.00 C ATOM 1531 O SER A 115 3.697 12.423 17.069 1.00 0.00 O ATOM 1532 CB SER A 115 3.807 9.449 16.030 1.00 0.00 C ATOM 1533 OG SER A 115 3.928 8.429 15.050 1.00 0.00 O ATOM 0 H SER A 115 6.209 9.484 15.441 1.00 0.00 H new ATOM 0 HA SER A 115 3.968 11.196 14.785 1.00 0.00 H new ATOM 0 HB2 SER A 115 4.222 9.101 16.976 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.753 9.666 16.205 1.00 0.00 H new ATOM 0 HG SER A 115 3.460 7.624 15.356 1.00 0.00 H new ATOM 1538 N GLU A 116 5.770 11.635 17.429 1.00 0.00 N ATOM 1539 CA GLU A 116 6.023 12.469 18.583 1.00 0.00 C ATOM 1540 C GLU A 116 7.231 13.364 18.336 1.00 0.00 C ATOM 1541 O GLU A 116 8.372 12.866 18.425 1.00 0.00 O ATOM 1542 CB GLU A 116 6.251 11.587 19.808 1.00 0.00 C ATOM 1543 CG GLU A 116 5.015 10.822 20.247 1.00 0.00 C ATOM 1544 CD GLU A 116 5.308 9.874 21.385 1.00 0.00 C ATOM 1545 OE1 GLU A 116 5.351 10.328 22.548 1.00 0.00 O ATOM 1546 OE2 GLU A 116 5.510 8.672 21.128 1.00 0.00 O ATOM 0 H GLU A 116 6.546 11.023 17.179 1.00 0.00 H new ATOM 0 HA GLU A 116 5.158 13.108 18.761 1.00 0.00 H new ATOM 0 HB2 GLU A 116 7.049 10.877 19.590 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.595 12.209 20.634 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.242 11.527 20.553 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.617 10.261 19.401 1.00 0.00 H new TER 1551 GLU A 116