USER MOD reduce.3.24.130724 H: found=0, std=0, add=1428, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1418 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 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 81 THR OG1 : rot 83:sc= 0.696 USER MOD Set 2.1: A 74 MET CE :methyl -152:sc= -0.161 (180deg=-0.737) USER MOD Set 2.2: B 74 MET CE :methyl -149:sc= -0.183 (180deg=-0.765) USER MOD Set 3.1: B 48 LYS NZ :NH3+ -173:sc= -2.61! (180deg=-0.598) USER MOD Set 3.2: B 85 HIS : no HD1:sc= -4.23! C(o=-6.8!,f=-8.8!) USER MOD Set 4.1: B 37 ASN : amide:sc= -0.119 K(o=-1.3,f=-2.3) USER MOD Set 4.2: B 38 ASN : amide:sc= -1.18 K(o=-1.3,f=-5.7!) USER MOD Set 5.1: A 48 LYS NZ :NH3+ -178:sc= -2.82! (180deg=-0.59) USER MOD Set 5.2: A 85 HIS : no HD1:sc= -4.31! C(o=-7.1!,f=-8.3!) USER MOD Set 6.1: A 81 THR OG1 : rot 84:sc= 0.698 USER MOD Set 6.2: B 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.1: A 37 ASN : amide:sc= -0.135 K(o=-1.2,f=-2.3) USER MOD Set 7.2: A 38 ASN : amide:sc= -1.1 K(o=-1.2,f=-6.2!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 158:sc= 0.595 (180deg=-0.0825) USER MOD Single : A 1 SER OG : rot -156:sc= 0.922 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0025 X(o=-0.0025,f=-0.28) USER MOD Single : A 16 GLN : amide:sc= -5.39! C(o=-5.4!,f=-4.9!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0.193 K(o=0.19,f=-3!) USER MOD Single : A 26 LYS NZ :NH3+ -116:sc= 0.0382 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0505) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0141 USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= 0.214 (180deg=0.202) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 50 GLN : amide:sc= -2.94! C(o=-2.9!,f=-8.2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -16:sc= -0.18 USER MOD Single : A 68 CYS SG : rot -50:sc= -0.35 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 78 SER OG : rot -84:sc= 0.609 USER MOD Single : A 79 MET CE :methyl 176:sc= 0 (180deg=-0.00907) USER MOD Single : A 82 THR OG1 : rot -84:sc= 0.316 USER MOD Single : A 84 CYS SG : rot -86:sc= 0.723 USER MOD Single : A 90 HIS : no HD1:sc= -2.13! C(o=-2.1!,f=-4!) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ 170:sc= 0.704 (180deg=0.084) USER MOD Single : B 1 SER OG : rot -154:sc= 1 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.0076 X(o=-0.0076,f=-0.28) USER MOD Single : B 16 GLN : amide:sc= -5.61! C(o=-5.6!,f=-5!) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HD1:sc= 0.168 K(o=0.17,f=-3!) USER MOD Single : B 26 LYS NZ :NH3+ -117:sc= 0.0395 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0608) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 180:sc= -0.0179 USER MOD Single : B 33 LYS NZ :NH3+ -160:sc= 0.273 (180deg=0.17) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : B 50 GLN : amide:sc= -3! C(o=-3!,f=-8.2!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 59 THR OG1 : rot -13:sc= -0.116 USER MOD Single : B 68 CYS SG : rot -51:sc= -0.36 USER MOD Single : B 71 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : B 78 SER OG : rot -82:sc= 0.667 USER MOD Single : B 79 MET CE :methyl 177:sc= 0 (180deg=-0.00987) USER MOD Single : B 82 THR OG1 : rot -93:sc= 0.395 USER MOD Single : B 84 CYS SG : rot -73:sc= 0.655 USER MOD Single : B 90 HIS : no HD1:sc= -2.16! C(o=-2.2!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -11.535 7.169 12.675 1.00 0.00 N ATOM 2 CA MET A 0 -10.337 6.709 13.432 1.00 0.00 C ATOM 3 C MET A 0 -10.404 5.192 13.626 1.00 0.00 C ATOM 4 O MET A 0 -10.198 4.686 14.712 1.00 0.00 O ATOM 5 CB MET A 0 -10.300 7.399 14.798 1.00 0.00 C ATOM 6 CG MET A 0 -11.688 7.343 15.438 1.00 0.00 C ATOM 7 SD MET A 0 -11.560 7.770 17.193 1.00 0.00 S ATOM 8 CE MET A 0 -13.138 7.055 17.715 1.00 0.00 C ATOM 0 H1 MET A 0 -11.693 8.181 12.856 1.00 0.00 H new ATOM 0 H2 MET A 0 -11.381 7.020 11.657 1.00 0.00 H new ATOM 0 H3 MET A 0 -12.368 6.628 12.982 1.00 0.00 H new ATOM 0 HA MET A 0 -9.436 6.962 12.873 1.00 0.00 H new ATOM 0 HB2 MET A 0 -9.570 6.910 15.444 1.00 0.00 H new ATOM 0 HB3 MET A 0 -9.982 8.435 14.685 1.00 0.00 H new ATOM 0 HG2 MET A 0 -12.362 8.035 14.932 1.00 0.00 H new ATOM 0 HG3 MET A 0 -12.112 6.345 15.325 1.00 0.00 H new ATOM 0 HE1 MET A 0 -13.269 7.206 18.786 1.00 0.00 H new ATOM 0 HE2 MET A 0 -13.953 7.540 17.177 1.00 0.00 H new ATOM 0 HE3 MET A 0 -13.144 5.987 17.496 1.00 0.00 H new ATOM 20 N SER A 1 -10.687 4.460 12.582 1.00 0.00 N ATOM 21 CA SER A 1 -10.760 2.977 12.713 1.00 0.00 C ATOM 22 C SER A 1 -9.359 2.423 12.973 1.00 0.00 C ATOM 23 O SER A 1 -8.375 3.126 12.866 1.00 0.00 O ATOM 24 CB SER A 1 -11.315 2.376 11.421 1.00 0.00 C ATOM 25 OG SER A 1 -10.308 2.409 10.417 1.00 0.00 O ATOM 0 H SER A 1 -10.870 4.824 11.647 1.00 0.00 H new ATOM 0 HA SER A 1 -11.416 2.716 13.544 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.639 1.350 11.594 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.191 2.936 11.093 1.00 0.00 H new ATOM 0 HG SER A 1 -10.728 2.403 9.532 1.00 0.00 H new ATOM 31 N GLU A 2 -9.260 1.167 13.317 1.00 0.00 N ATOM 32 CA GLU A 2 -7.919 0.574 13.587 1.00 0.00 C ATOM 33 C GLU A 2 -7.027 0.743 12.354 1.00 0.00 C ATOM 34 O GLU A 2 -5.832 0.936 12.460 1.00 0.00 O ATOM 35 CB GLU A 2 -8.078 -0.916 13.899 1.00 0.00 C ATOM 36 CG GLU A 2 -6.772 -1.462 14.482 1.00 0.00 C ATOM 37 CD GLU A 2 -6.608 -0.979 15.926 1.00 0.00 C ATOM 38 OE1 GLU A 2 -7.580 -0.503 16.487 1.00 0.00 O ATOM 39 OE2 GLU A 2 -5.510 -1.096 16.445 1.00 0.00 O ATOM 0 H GLU A 2 -10.048 0.528 13.422 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.462 1.080 14.437 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.894 -1.064 14.607 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.339 -1.462 12.992 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.777 -2.552 14.451 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.927 -1.130 13.879 1.00 0.00 H new ATOM 46 N LEU A 3 -7.600 0.663 11.184 1.00 0.00 N ATOM 47 CA LEU A 3 -6.791 0.808 9.940 1.00 0.00 C ATOM 48 C LEU A 3 -6.149 2.201 9.899 1.00 0.00 C ATOM 49 O LEU A 3 -4.967 2.339 9.659 1.00 0.00 O ATOM 50 CB LEU A 3 -7.707 0.610 8.717 1.00 0.00 C ATOM 51 CG LEU A 3 -6.901 0.070 7.526 1.00 0.00 C ATOM 52 CD1 LEU A 3 -7.835 -0.125 6.329 1.00 0.00 C ATOM 53 CD2 LEU A 3 -5.786 1.060 7.155 1.00 0.00 C ATOM 0 H LEU A 3 -8.596 0.503 11.036 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.000 0.058 9.925 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.510 -0.084 8.965 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.175 1.557 8.448 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.451 -0.885 7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.266 -0.508 5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.619 -0.836 6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.286 0.830 6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.219 0.670 6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.227 2.020 6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.120 1.194 8.007 1.00 0.00 H new ATOM 65 N GLU A 4 -6.911 3.236 10.139 1.00 0.00 N ATOM 66 CA GLU A 4 -6.324 4.606 10.112 1.00 0.00 C ATOM 67 C GLU A 4 -5.060 4.630 10.973 1.00 0.00 C ATOM 68 O GLU A 4 -4.027 5.129 10.575 1.00 0.00 O ATOM 69 CB GLU A 4 -7.340 5.608 10.664 1.00 0.00 C ATOM 70 CG GLU A 4 -8.658 5.469 9.899 1.00 0.00 C ATOM 71 CD GLU A 4 -9.604 6.602 10.299 1.00 0.00 C ATOM 72 OE1 GLU A 4 -9.144 7.729 10.383 1.00 0.00 O ATOM 73 OE2 GLU A 4 -10.772 6.324 10.513 1.00 0.00 O ATOM 0 H GLU A 4 -7.908 3.192 10.351 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.072 4.876 9.087 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.503 5.429 11.727 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.956 6.623 10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.472 5.499 8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.117 4.504 10.117 1.00 0.00 H new ATOM 80 N LYS A 5 -5.142 4.073 12.149 1.00 0.00 N ATOM 81 CA LYS A 5 -3.957 4.034 13.050 1.00 0.00 C ATOM 82 C LYS A 5 -2.747 3.517 12.270 1.00 0.00 C ATOM 83 O LYS A 5 -1.640 3.998 12.410 1.00 0.00 O ATOM 84 CB LYS A 5 -4.243 3.066 14.204 1.00 0.00 C ATOM 85 CG LYS A 5 -5.598 3.395 14.841 1.00 0.00 C ATOM 86 CD LYS A 5 -5.636 4.870 15.266 1.00 0.00 C ATOM 87 CE LYS A 5 -6.740 5.077 16.307 1.00 0.00 C ATOM 88 NZ LYS A 5 -6.975 6.535 16.504 1.00 0.00 N ATOM 0 H LYS A 5 -5.985 3.640 12.527 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.754 5.034 13.434 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.244 2.040 13.837 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.454 3.136 14.952 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.401 3.192 14.132 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.767 2.754 15.707 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.672 5.164 15.680 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.817 5.504 14.398 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.659 4.591 15.979 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.455 4.614 17.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.725 6.673 17.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.099 6.986 16.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.266 6.965 15.603 1.00 0.00 H new ATOM 102 N ALA A 6 -2.967 2.521 11.455 1.00 0.00 N ATOM 103 CA ALA A 6 -1.864 1.924 10.651 1.00 0.00 C ATOM 104 C ALA A 6 -1.556 2.788 9.420 1.00 0.00 C ATOM 105 O ALA A 6 -0.425 2.865 8.984 1.00 0.00 O ATOM 106 CB ALA A 6 -2.289 0.514 10.210 1.00 0.00 C ATOM 0 H ALA A 6 -3.880 2.089 11.311 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.961 1.873 11.259 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.492 0.062 9.620 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.482 -0.100 11.090 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.195 0.579 9.607 1.00 0.00 H new ATOM 112 N MET A 7 -2.533 3.442 8.857 1.00 0.00 N ATOM 113 CA MET A 7 -2.245 4.290 7.664 1.00 0.00 C ATOM 114 C MET A 7 -1.255 5.389 8.081 1.00 0.00 C ATOM 115 O MET A 7 -0.268 5.642 7.417 1.00 0.00 O ATOM 116 CB MET A 7 -3.562 4.910 7.145 1.00 0.00 C ATOM 117 CG MET A 7 -3.541 5.020 5.613 1.00 0.00 C ATOM 118 SD MET A 7 -1.925 5.626 5.058 1.00 0.00 S ATOM 119 CE MET A 7 -1.824 4.661 3.527 1.00 0.00 C ATOM 0 H MET A 7 -3.505 3.428 9.164 1.00 0.00 H new ATOM 0 HA MET A 7 -1.808 3.693 6.863 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.407 4.298 7.459 1.00 0.00 H new ATOM 0 HB3 MET A 7 -3.703 5.898 7.584 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.746 4.047 5.167 1.00 0.00 H new ATOM 0 HG3 MET A 7 -4.327 5.696 5.278 1.00 0.00 H new ATOM 0 HE1 MET A 7 -0.888 4.886 3.016 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.862 3.598 3.764 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.661 4.919 2.879 1.00 0.00 H new ATOM 129 N VAL A 8 -1.515 6.027 9.189 1.00 0.00 N ATOM 130 CA VAL A 8 -0.604 7.099 9.682 1.00 0.00 C ATOM 131 C VAL A 8 0.715 6.476 10.149 1.00 0.00 C ATOM 132 O VAL A 8 1.778 7.036 9.965 1.00 0.00 O ATOM 133 CB VAL A 8 -1.271 7.815 10.856 1.00 0.00 C ATOM 134 CG1 VAL A 8 -0.443 9.042 11.243 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.678 8.260 10.444 1.00 0.00 C ATOM 0 H VAL A 8 -2.328 5.850 9.780 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.403 7.809 8.880 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.335 7.138 11.707 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.919 9.553 12.080 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.560 8.728 11.532 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.379 9.721 10.393 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.157 8.771 11.279 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.611 8.939 9.594 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.269 7.387 10.166 1.00 0.00 H new ATOM 145 N ALA A 9 0.654 5.316 10.746 1.00 0.00 N ATOM 146 CA ALA A 9 1.900 4.646 11.221 1.00 0.00 C ATOM 147 C ALA A 9 2.847 4.442 10.037 1.00 0.00 C ATOM 148 O ALA A 9 4.022 4.743 10.102 1.00 0.00 O ATOM 149 CB ALA A 9 1.534 3.279 11.804 1.00 0.00 C ATOM 0 H ALA A 9 -0.208 4.801 10.926 1.00 0.00 H new ATOM 0 HA ALA A 9 2.385 5.261 11.979 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.437 2.779 12.155 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.845 3.412 12.638 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.058 2.671 11.035 1.00 0.00 H new ATOM 155 N LEU A 10 2.335 3.915 8.963 1.00 0.00 N ATOM 156 CA LEU A 10 3.182 3.661 7.766 1.00 0.00 C ATOM 157 C LEU A 10 3.954 4.922 7.399 1.00 0.00 C ATOM 158 O LEU A 10 5.162 4.924 7.273 1.00 0.00 O ATOM 159 CB LEU A 10 2.254 3.304 6.586 1.00 0.00 C ATOM 160 CG LEU A 10 1.860 1.814 6.640 1.00 0.00 C ATOM 161 CD1 LEU A 10 0.559 1.600 5.860 1.00 0.00 C ATOM 162 CD2 LEU A 10 2.965 0.944 6.014 1.00 0.00 C ATOM 0 H LEU A 10 1.356 3.646 8.862 1.00 0.00 H new ATOM 0 HA LEU A 10 3.882 2.853 7.978 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.358 3.924 6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.756 3.519 5.643 1.00 0.00 H new ATOM 0 HG LEU A 10 1.724 1.527 7.683 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.281 0.547 5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.234 2.201 6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.704 1.899 4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.672 -0.105 6.060 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.112 1.235 4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.895 1.085 6.565 1.00 0.00 H new ATOM 174 N ILE A 11 3.238 5.989 7.198 1.00 0.00 N ATOM 175 CA ILE A 11 3.881 7.266 6.803 1.00 0.00 C ATOM 176 C ILE A 11 4.969 7.653 7.802 1.00 0.00 C ATOM 177 O ILE A 11 6.017 8.139 7.425 1.00 0.00 O ATOM 178 CB ILE A 11 2.822 8.369 6.761 1.00 0.00 C ATOM 179 CG1 ILE A 11 1.789 8.039 5.678 1.00 0.00 C ATOM 180 CG2 ILE A 11 3.489 9.710 6.442 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.580 8.966 5.822 1.00 0.00 C ATOM 0 H ILE A 11 2.223 6.030 7.292 1.00 0.00 H new ATOM 0 HA ILE A 11 4.336 7.141 5.820 1.00 0.00 H new ATOM 0 HB ILE A 11 2.327 8.435 7.730 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.234 8.156 4.690 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.475 6.999 5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.733 10.495 6.412 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.224 9.943 7.212 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.986 9.648 5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.153 8.730 5.051 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.130 8.827 6.805 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.901 10.002 5.712 1.00 0.00 H new ATOM 193 N ASP A 12 4.731 7.482 9.075 1.00 0.00 N ATOM 194 CA ASP A 12 5.765 7.893 10.064 1.00 0.00 C ATOM 195 C ASP A 12 6.970 6.946 10.013 1.00 0.00 C ATOM 196 O ASP A 12 8.096 7.377 10.165 1.00 0.00 O ATOM 197 CB ASP A 12 5.172 7.920 11.473 1.00 0.00 C ATOM 198 CG ASP A 12 6.230 8.411 12.463 1.00 0.00 C ATOM 199 OD1 ASP A 12 6.515 9.597 12.455 1.00 0.00 O ATOM 200 OD2 ASP A 12 6.737 7.592 13.212 1.00 0.00 O ATOM 0 H ASP A 12 3.879 7.082 9.467 1.00 0.00 H new ATOM 0 HA ASP A 12 6.105 8.896 9.807 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.301 8.575 11.500 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.830 6.924 11.754 1.00 0.00 H new ATOM 205 N VAL A 13 6.772 5.667 9.801 1.00 0.00 N ATOM 206 CA VAL A 13 7.958 4.762 9.754 1.00 0.00 C ATOM 207 C VAL A 13 8.752 5.053 8.481 1.00 0.00 C ATOM 208 O VAL A 13 9.964 5.140 8.511 1.00 0.00 O ATOM 209 CB VAL A 13 7.532 3.294 9.798 1.00 0.00 C ATOM 210 CG1 VAL A 13 8.769 2.399 9.674 1.00 0.00 C ATOM 211 CG2 VAL A 13 6.824 3.008 11.125 1.00 0.00 C ATOM 0 H VAL A 13 5.865 5.221 9.662 1.00 0.00 H new ATOM 0 HA VAL A 13 8.584 4.946 10.627 1.00 0.00 H new ATOM 0 HB VAL A 13 6.851 3.088 8.972 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.466 1.353 9.705 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.272 2.603 8.729 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.451 2.604 10.499 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.520 1.962 11.157 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.504 3.214 11.952 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.943 3.644 11.212 1.00 0.00 H new ATOM 221 N PHE A 14 8.100 5.241 7.370 1.00 0.00 N ATOM 222 CA PHE A 14 8.863 5.563 6.133 1.00 0.00 C ATOM 223 C PHE A 14 9.718 6.799 6.417 1.00 0.00 C ATOM 224 O PHE A 14 10.800 6.961 5.886 1.00 0.00 O ATOM 225 CB PHE A 14 7.900 5.858 4.981 1.00 0.00 C ATOM 226 CG PHE A 14 8.697 6.186 3.740 1.00 0.00 C ATOM 227 CD1 PHE A 14 9.180 7.486 3.539 1.00 0.00 C ATOM 228 CD2 PHE A 14 8.955 5.190 2.789 1.00 0.00 C ATOM 229 CE1 PHE A 14 9.921 7.789 2.389 1.00 0.00 C ATOM 230 CE2 PHE A 14 9.695 5.494 1.640 1.00 0.00 C ATOM 231 CZ PHE A 14 10.178 6.793 1.440 1.00 0.00 C ATOM 0 H PHE A 14 7.087 5.187 7.264 1.00 0.00 H new ATOM 0 HA PHE A 14 9.491 4.718 5.849 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.258 4.997 4.798 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.248 6.692 5.240 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.981 8.255 4.271 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.583 4.188 2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.294 8.791 2.235 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.893 4.726 0.907 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.749 7.026 0.553 1.00 0.00 H new ATOM 241 N HIS A 15 9.234 7.672 7.259 1.00 0.00 N ATOM 242 CA HIS A 15 10.003 8.903 7.594 1.00 0.00 C ATOM 243 C HIS A 15 11.121 8.565 8.587 1.00 0.00 C ATOM 244 O HIS A 15 12.173 9.174 8.588 1.00 0.00 O ATOM 245 CB HIS A 15 9.063 9.934 8.221 1.00 0.00 C ATOM 246 CG HIS A 15 9.825 11.201 8.499 1.00 0.00 C ATOM 247 ND1 HIS A 15 9.660 11.921 9.672 1.00 0.00 N ATOM 248 CD2 HIS A 15 10.762 11.886 7.767 1.00 0.00 C ATOM 249 CE1 HIS A 15 10.480 12.987 9.611 1.00 0.00 C ATOM 250 NE2 HIS A 15 11.175 13.014 8.471 1.00 0.00 N ATOM 0 H HIS A 15 8.334 7.584 7.731 1.00 0.00 H new ATOM 0 HA HIS A 15 10.442 9.311 6.683 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.229 10.138 7.549 1.00 0.00 H new ATOM 0 HB3 HIS A 15 8.639 9.541 9.145 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.124 11.594 6.792 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.565 13.730 10.390 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.860 13.711 8.179 1.00 0.00 H new ATOM 258 N GLN A 16 10.886 7.609 9.447 1.00 0.00 N ATOM 259 CA GLN A 16 11.913 7.236 10.465 1.00 0.00 C ATOM 260 C GLN A 16 13.244 6.929 9.780 1.00 0.00 C ATOM 261 O GLN A 16 14.288 7.371 10.217 1.00 0.00 O ATOM 262 CB GLN A 16 11.437 6.003 11.241 1.00 0.00 C ATOM 263 CG GLN A 16 12.429 5.674 12.368 1.00 0.00 C ATOM 264 CD GLN A 16 13.624 4.897 11.803 1.00 0.00 C ATOM 265 OE1 GLN A 16 14.671 5.462 11.559 1.00 0.00 O ATOM 266 NE2 GLN A 16 13.509 3.614 11.586 1.00 0.00 N ATOM 0 H GLN A 16 10.022 7.068 9.488 1.00 0.00 H new ATOM 0 HA GLN A 16 12.053 8.070 11.153 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.447 6.186 11.659 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.345 5.152 10.566 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.773 6.594 12.841 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.933 5.085 13.140 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.630 3.139 11.791 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.298 3.087 11.212 1.00 0.00 H new ATOM 275 N TYR A 17 13.227 6.173 8.716 1.00 0.00 N ATOM 276 CA TYR A 17 14.503 5.844 8.024 1.00 0.00 C ATOM 277 C TYR A 17 15.019 7.081 7.291 1.00 0.00 C ATOM 278 O TYR A 17 16.179 7.427 7.383 1.00 0.00 O ATOM 279 CB TYR A 17 14.264 4.712 7.021 1.00 0.00 C ATOM 280 CG TYR A 17 14.056 3.417 7.772 1.00 0.00 C ATOM 281 CD1 TYR A 17 12.873 3.212 8.494 1.00 0.00 C ATOM 282 CD2 TYR A 17 15.045 2.424 7.753 1.00 0.00 C ATOM 283 CE1 TYR A 17 12.679 2.015 9.196 1.00 0.00 C ATOM 284 CE2 TYR A 17 14.850 1.228 8.455 1.00 0.00 C ATOM 285 CZ TYR A 17 13.668 1.024 9.176 1.00 0.00 C ATOM 286 OH TYR A 17 13.477 -0.156 9.867 1.00 0.00 O ATOM 0 H TYR A 17 12.388 5.771 8.298 1.00 0.00 H new ATOM 0 HA TYR A 17 15.243 5.525 8.758 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.392 4.933 6.406 1.00 0.00 H new ATOM 0 HB3 TYR A 17 15.115 4.622 6.346 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.110 3.977 8.509 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.957 2.581 7.197 1.00 0.00 H new ATOM 0 HE1 TYR A 17 11.767 1.857 9.752 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.612 0.463 8.440 1.00 0.00 H new ATOM 0 HH TYR A 17 14.258 -0.735 9.748 1.00 0.00 H new ATOM 296 N SER A 18 14.164 7.750 6.563 1.00 0.00 N ATOM 297 CA SER A 18 14.597 8.970 5.818 1.00 0.00 C ATOM 298 C SER A 18 14.207 10.227 6.603 1.00 0.00 C ATOM 299 O SER A 18 13.479 11.066 6.110 1.00 0.00 O ATOM 300 CB SER A 18 13.907 8.996 4.453 1.00 0.00 C ATOM 301 OG SER A 18 14.248 7.817 3.734 1.00 0.00 O ATOM 0 H SER A 18 13.181 7.503 6.452 1.00 0.00 H new ATOM 0 HA SER A 18 15.679 8.948 5.689 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.826 9.059 4.580 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.215 9.879 3.893 1.00 0.00 H new ATOM 0 HG SER A 18 13.807 7.828 2.859 1.00 0.00 H new ATOM 307 N GLY A 19 14.700 10.375 7.814 1.00 0.00 N ATOM 308 CA GLY A 19 14.379 11.592 8.633 1.00 0.00 C ATOM 309 C GLY A 19 15.691 12.284 9.012 1.00 0.00 C ATOM 310 O GLY A 19 15.704 13.426 9.429 1.00 0.00 O ATOM 0 H GLY A 19 15.314 9.701 8.272 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.742 12.272 8.067 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.827 11.310 9.530 1.00 0.00 H new ATOM 314 N ARG A 20 16.796 11.612 8.844 1.00 0.00 N ATOM 315 CA ARG A 20 18.111 12.238 9.165 1.00 0.00 C ATOM 316 C ARG A 20 18.360 13.396 8.199 1.00 0.00 C ATOM 317 O ARG A 20 19.021 14.354 8.552 1.00 0.00 O ATOM 318 CB ARG A 20 19.235 11.202 9.064 1.00 0.00 C ATOM 319 CG ARG A 20 20.479 11.715 9.796 1.00 0.00 C ATOM 320 CD ARG A 20 21.572 10.644 9.762 1.00 0.00 C ATOM 321 NE ARG A 20 22.620 10.972 10.770 1.00 0.00 N ATOM 322 CZ ARG A 20 23.777 10.369 10.730 1.00 0.00 C ATOM 323 NH1 ARG A 20 23.855 9.087 10.968 1.00 0.00 N ATOM 324 NH2 ARG A 20 24.856 11.047 10.451 1.00 0.00 N ATOM 0 H ARG A 20 16.846 10.654 8.497 1.00 0.00 H new ATOM 0 HA ARG A 20 18.094 12.617 10.187 1.00 0.00 H new ATOM 0 HB2 ARG A 20 18.911 10.256 9.498 1.00 0.00 H new ATOM 0 HB3 ARG A 20 19.471 11.009 8.018 1.00 0.00 H new ATOM 0 HG2 ARG A 20 20.838 12.631 9.326 1.00 0.00 H new ATOM 0 HG3 ARG A 20 20.230 11.963 10.828 1.00 0.00 H new ATOM 0 HD2 ARG A 20 21.143 9.664 9.973 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.013 10.591 8.767 1.00 0.00 H new ATOM 0 HE ARG A 20 22.433 11.668 11.492 1.00 0.00 H new ATOM 0 HH11 ARG A 20 23.011 8.556 11.185 1.00 0.00 H new ATOM 0 HH12 ARG A 20 24.759 8.617 10.937 1.00 0.00 H new ATOM 0 HH21 ARG A 20 24.795 12.048 10.264 1.00 0.00 H new ATOM 0 HH22 ARG A 20 25.760 10.576 10.420 1.00 0.00 H new ATOM 338 N GLU A 21 17.815 13.365 7.009 1.00 0.00 N ATOM 339 CA GLU A 21 18.013 14.528 6.085 1.00 0.00 C ATOM 340 C GLU A 21 16.758 14.711 5.230 1.00 0.00 C ATOM 341 O GLU A 21 16.258 15.809 5.080 1.00 0.00 O ATOM 342 CB GLU A 21 19.234 14.287 5.187 1.00 0.00 C ATOM 343 CG GLU A 21 19.745 15.624 4.634 1.00 0.00 C ATOM 344 CD GLU A 21 20.616 15.377 3.400 1.00 0.00 C ATOM 345 OE1 GLU A 21 21.092 14.264 3.249 1.00 0.00 O ATOM 346 OE2 GLU A 21 20.791 16.305 2.626 1.00 0.00 O ATOM 0 H GLU A 21 17.251 12.600 6.640 1.00 0.00 H new ATOM 0 HA GLU A 21 18.187 15.431 6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.022 13.793 5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 21 18.967 13.622 4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.903 16.266 4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 21 20.320 16.147 5.398 1.00 0.00 H new ATOM 353 N GLY A 22 16.235 13.647 4.681 1.00 0.00 N ATOM 354 CA GLY A 22 15.002 13.760 3.846 1.00 0.00 C ATOM 355 C GLY A 22 15.114 14.958 2.901 1.00 0.00 C ATOM 356 O GLY A 22 14.125 15.439 2.385 1.00 0.00 O ATOM 0 H GLY A 22 16.609 12.703 4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.858 12.845 3.271 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.128 13.874 4.488 1.00 0.00 H new ATOM 360 N ASP A 23 16.305 15.441 2.658 1.00 0.00 N ATOM 361 CA ASP A 23 16.451 16.601 1.730 1.00 0.00 C ATOM 362 C ASP A 23 15.666 16.292 0.452 1.00 0.00 C ATOM 363 O ASP A 23 14.788 17.032 0.056 1.00 0.00 O ATOM 364 CB ASP A 23 17.932 16.810 1.392 1.00 0.00 C ATOM 365 CG ASP A 23 18.067 17.842 0.269 1.00 0.00 C ATOM 366 OD1 ASP A 23 17.984 19.023 0.562 1.00 0.00 O ATOM 367 OD2 ASP A 23 18.251 17.432 -0.865 1.00 0.00 O ATOM 0 H ASP A 23 17.174 15.087 3.057 1.00 0.00 H new ATOM 0 HA ASP A 23 16.068 17.509 2.197 1.00 0.00 H new ATOM 0 HB2 ASP A 23 18.472 17.148 2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 23 18.382 15.865 1.086 1.00 0.00 H new ATOM 372 N LYS A 24 15.953 15.182 -0.175 1.00 0.00 N ATOM 373 CA LYS A 24 15.199 14.797 -1.404 1.00 0.00 C ATOM 374 C LYS A 24 14.000 13.942 -0.981 1.00 0.00 C ATOM 375 O LYS A 24 13.964 13.406 0.109 1.00 0.00 O ATOM 376 CB LYS A 24 16.107 13.982 -2.336 1.00 0.00 C ATOM 377 CG LYS A 24 17.039 14.921 -3.116 1.00 0.00 C ATOM 378 CD LYS A 24 17.780 14.137 -4.210 1.00 0.00 C ATOM 379 CE LYS A 24 18.904 13.300 -3.590 1.00 0.00 C ATOM 380 NZ LYS A 24 19.743 12.720 -4.677 1.00 0.00 N ATOM 0 H LYS A 24 16.678 14.524 0.111 1.00 0.00 H new ATOM 0 HA LYS A 24 14.862 15.689 -1.933 1.00 0.00 H new ATOM 0 HB2 LYS A 24 16.696 13.273 -1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.501 13.400 -3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.462 15.730 -3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.757 15.381 -2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.082 13.488 -4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.193 14.827 -4.946 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.515 13.920 -2.934 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.484 12.504 -2.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.507 12.151 -4.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.154 12.116 -5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.154 13.488 -5.246 1.00 0.00 H new ATOM 394 N HIS A 25 13.035 13.788 -1.849 1.00 0.00 N ATOM 395 CA HIS A 25 11.841 12.941 -1.536 1.00 0.00 C ATOM 396 C HIS A 25 11.904 11.711 -2.438 1.00 0.00 C ATOM 397 O HIS A 25 10.923 11.307 -3.030 1.00 0.00 O ATOM 398 CB HIS A 25 10.564 13.729 -1.833 1.00 0.00 C ATOM 399 CG HIS A 25 10.576 14.181 -3.268 1.00 0.00 C ATOM 400 ND1 HIS A 25 11.419 15.184 -3.720 1.00 0.00 N ATOM 401 CD2 HIS A 25 9.855 13.776 -4.364 1.00 0.00 C ATOM 402 CE1 HIS A 25 11.187 15.348 -5.035 1.00 0.00 C ATOM 403 NE2 HIS A 25 10.242 14.514 -5.478 1.00 0.00 N ATOM 0 H HIS A 25 13.021 14.218 -2.774 1.00 0.00 H new ATOM 0 HA HIS A 25 11.837 12.650 -0.486 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.688 13.108 -1.643 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.493 14.591 -1.170 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.102 13.002 -4.362 1.00 0.00 H new ATOM 0 HE1 HIS A 25 11.702 16.066 -5.656 1.00 0.00 H new ATOM 0 HE2 HIS A 25 9.882 14.435 -6.429 1.00 0.00 H new ATOM 411 N LYS A 26 13.065 11.115 -2.541 1.00 0.00 N ATOM 412 CA LYS A 26 13.233 9.903 -3.396 1.00 0.00 C ATOM 413 C LYS A 26 14.025 8.839 -2.628 1.00 0.00 C ATOM 414 O LYS A 26 14.826 9.159 -1.771 1.00 0.00 O ATOM 415 CB LYS A 26 14.000 10.286 -4.662 1.00 0.00 C ATOM 416 CG LYS A 26 13.170 11.282 -5.475 1.00 0.00 C ATOM 417 CD LYS A 26 13.949 11.704 -6.721 1.00 0.00 C ATOM 418 CE LYS A 26 13.053 12.564 -7.614 1.00 0.00 C ATOM 419 NZ LYS A 26 13.731 12.802 -8.919 1.00 0.00 N ATOM 0 H LYS A 26 13.913 11.421 -2.063 1.00 0.00 H new ATOM 0 HA LYS A 26 12.254 9.505 -3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.962 10.726 -4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.208 9.397 -5.258 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.221 10.830 -5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.935 12.156 -4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.840 12.263 -6.434 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.288 10.824 -7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.097 12.066 -7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.839 13.514 -7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.926 13.818 -9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.626 12.273 -8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.115 12.482 -9.694 1.00 0.00 H new ATOM 433 N LEU A 27 13.813 7.580 -2.928 1.00 0.00 N ATOM 434 CA LEU A 27 14.557 6.484 -2.221 1.00 0.00 C ATOM 435 C LEU A 27 15.286 5.645 -3.269 1.00 0.00 C ATOM 436 O LEU A 27 14.771 5.401 -4.342 1.00 0.00 O ATOM 437 CB LEU A 27 13.561 5.610 -1.451 1.00 0.00 C ATOM 438 CG LEU A 27 14.306 4.543 -0.636 1.00 0.00 C ATOM 439 CD1 LEU A 27 15.180 5.204 0.448 1.00 0.00 C ATOM 440 CD2 LEU A 27 13.275 3.619 0.024 1.00 0.00 C ATOM 0 H LEU A 27 13.153 7.260 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 27 15.276 6.903 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.960 6.231 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.873 5.131 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 27 14.955 3.970 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.701 4.433 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.910 5.862 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.549 5.785 1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.791 2.856 0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.631 4.203 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.670 3.140 -0.746 1.00 0.00 H new ATOM 452 N LYS A 28 16.489 5.212 -2.985 1.00 0.00 N ATOM 453 CA LYS A 28 17.245 4.403 -3.990 1.00 0.00 C ATOM 454 C LYS A 28 16.927 2.915 -3.795 1.00 0.00 C ATOM 455 O LYS A 28 16.594 2.483 -2.710 1.00 0.00 O ATOM 456 CB LYS A 28 18.745 4.643 -3.803 1.00 0.00 C ATOM 457 CG LYS A 28 19.513 4.083 -5.000 1.00 0.00 C ATOM 458 CD LYS A 28 20.982 4.500 -4.901 1.00 0.00 C ATOM 459 CE LYS A 28 21.804 3.738 -5.942 1.00 0.00 C ATOM 460 NZ LYS A 28 21.448 4.220 -7.306 1.00 0.00 N ATOM 0 H LYS A 28 16.978 5.382 -2.106 1.00 0.00 H new ATOM 0 HA LYS A 28 16.953 4.700 -4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 28 18.942 5.710 -3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 28 19.087 4.166 -2.885 1.00 0.00 H new ATOM 0 HG2 LYS A 28 19.433 2.996 -5.022 1.00 0.00 H new ATOM 0 HG3 LYS A 28 19.080 4.453 -5.929 1.00 0.00 H new ATOM 0 HD2 LYS A 28 21.077 5.574 -5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 28 21.362 4.293 -3.901 1.00 0.00 H new ATOM 0 HE2 LYS A 28 22.868 3.885 -5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 28 21.611 2.668 -5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 22.077 3.777 -8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 20.462 3.967 -7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 21.557 5.253 -7.348 1.00 0.00 H new ATOM 474 N LYS A 29 17.031 2.128 -4.831 1.00 0.00 N ATOM 475 CA LYS A 29 16.738 0.669 -4.699 1.00 0.00 C ATOM 476 C LYS A 29 17.714 0.024 -3.708 1.00 0.00 C ATOM 477 O LYS A 29 17.350 -0.837 -2.932 1.00 0.00 O ATOM 478 CB LYS A 29 16.902 0.004 -6.077 1.00 0.00 C ATOM 479 CG LYS A 29 18.325 0.260 -6.645 1.00 0.00 C ATOM 480 CD LYS A 29 19.205 -0.988 -6.484 1.00 0.00 C ATOM 481 CE LYS A 29 20.588 -0.713 -7.079 1.00 0.00 C ATOM 482 NZ LYS A 29 21.460 -1.906 -6.883 1.00 0.00 N ATOM 0 H LYS A 29 17.306 2.431 -5.765 1.00 0.00 H new ATOM 0 HA LYS A 29 15.720 0.535 -4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.727 -1.068 -5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.154 0.396 -6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.258 0.531 -7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.783 1.103 -6.128 1.00 0.00 H new ATOM 0 HD2 LYS A 29 19.296 -1.249 -5.430 1.00 0.00 H new ATOM 0 HD3 LYS A 29 18.744 -1.839 -6.985 1.00 0.00 H new ATOM 0 HE2 LYS A 29 20.500 -0.484 -8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.034 0.159 -6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 22.400 -1.719 -7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 21.554 -2.104 -5.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 21.036 -2.728 -7.358 1.00 0.00 H new ATOM 496 N SER A 30 18.954 0.420 -3.750 1.00 0.00 N ATOM 497 CA SER A 30 19.974 -0.176 -2.839 1.00 0.00 C ATOM 498 C SER A 30 19.593 0.033 -1.368 1.00 0.00 C ATOM 499 O SER A 30 19.744 -0.853 -0.542 1.00 0.00 O ATOM 500 CB SER A 30 21.323 0.495 -3.100 1.00 0.00 C ATOM 501 OG SER A 30 21.199 1.896 -2.895 1.00 0.00 O ATOM 0 H SER A 30 19.310 1.138 -4.382 1.00 0.00 H new ATOM 0 HA SER A 30 20.029 -1.247 -3.034 1.00 0.00 H new ATOM 0 HB2 SER A 30 22.081 0.084 -2.433 1.00 0.00 H new ATOM 0 HB3 SER A 30 21.651 0.293 -4.120 1.00 0.00 H new ATOM 0 HG SER A 30 22.063 2.328 -3.060 1.00 0.00 H new ATOM 507 N GLU A 31 19.099 1.195 -1.027 1.00 0.00 N ATOM 508 CA GLU A 31 18.729 1.440 0.399 1.00 0.00 C ATOM 509 C GLU A 31 17.364 0.813 0.676 1.00 0.00 C ATOM 510 O GLU A 31 17.107 0.304 1.749 1.00 0.00 O ATOM 511 CB GLU A 31 18.689 2.942 0.688 1.00 0.00 C ATOM 512 CG GLU A 31 20.084 3.540 0.486 1.00 0.00 C ATOM 513 CD GLU A 31 19.991 5.067 0.491 1.00 0.00 C ATOM 514 OE1 GLU A 31 18.888 5.574 0.366 1.00 0.00 O ATOM 515 OE2 GLU A 31 21.024 5.702 0.621 1.00 0.00 O ATOM 0 H GLU A 31 18.937 1.975 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 31 19.477 0.987 1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 31 17.973 3.431 0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 31 18.351 3.117 1.709 1.00 0.00 H new ATOM 0 HG2 GLU A 31 20.754 3.203 1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 31 20.506 3.194 -0.457 1.00 0.00 H new ATOM 522 N LEU A 32 16.492 0.833 -0.295 1.00 0.00 N ATOM 523 CA LEU A 32 15.150 0.224 -0.099 1.00 0.00 C ATOM 524 C LEU A 32 15.333 -1.267 0.182 1.00 0.00 C ATOM 525 O LEU A 32 14.702 -1.820 1.060 1.00 0.00 O ATOM 526 CB LEU A 32 14.302 0.433 -1.361 1.00 0.00 C ATOM 527 CG LEU A 32 12.998 -0.370 -1.275 1.00 0.00 C ATOM 528 CD1 LEU A 32 12.266 -0.044 0.032 1.00 0.00 C ATOM 529 CD2 LEU A 32 12.104 -0.003 -2.464 1.00 0.00 C ATOM 0 H LEU A 32 16.653 1.245 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 32 14.638 0.693 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.076 1.492 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.867 0.125 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 32 13.228 -1.435 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.341 -0.619 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.902 -0.302 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.034 1.021 0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.175 -0.570 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.880 1.063 -2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.620 -0.241 -3.394 1.00 0.00 H new ATOM 541 N LYS A 33 16.177 -1.935 -0.554 1.00 0.00 N ATOM 542 CA LYS A 33 16.359 -3.388 -0.309 1.00 0.00 C ATOM 543 C LYS A 33 16.686 -3.609 1.167 1.00 0.00 C ATOM 544 O LYS A 33 16.029 -4.369 1.851 1.00 0.00 O ATOM 545 CB LYS A 33 17.503 -3.914 -1.182 1.00 0.00 C ATOM 546 CG LYS A 33 17.017 -4.069 -2.627 1.00 0.00 C ATOM 547 CD LYS A 33 18.215 -4.269 -3.559 1.00 0.00 C ATOM 548 CE LYS A 33 19.080 -5.427 -3.052 1.00 0.00 C ATOM 549 NZ LYS A 33 19.961 -5.906 -4.155 1.00 0.00 N ATOM 0 H LYS A 33 16.742 -1.541 -1.306 1.00 0.00 H new ATOM 0 HA LYS A 33 15.444 -3.924 -0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.349 -3.227 -1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.854 -4.873 -0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.340 -4.919 -2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.454 -3.185 -2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.869 -4.478 -4.571 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.807 -3.355 -3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.684 -5.101 -2.205 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.447 -6.241 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.357 -6.834 -3.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.406 -5.991 -5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.735 -5.227 -4.300 1.00 0.00 H new ATOM 563 N GLU A 34 17.710 -2.965 1.659 1.00 0.00 N ATOM 564 CA GLU A 34 18.085 -3.162 3.093 1.00 0.00 C ATOM 565 C GLU A 34 16.830 -3.060 3.976 1.00 0.00 C ATOM 566 O GLU A 34 16.711 -3.748 4.971 1.00 0.00 O ATOM 567 CB GLU A 34 19.102 -2.100 3.512 1.00 0.00 C ATOM 568 CG GLU A 34 20.336 -2.191 2.611 1.00 0.00 C ATOM 569 CD GLU A 34 21.059 -3.514 2.870 1.00 0.00 C ATOM 570 OE1 GLU A 34 21.696 -3.626 3.904 1.00 0.00 O ATOM 571 OE2 GLU A 34 20.966 -4.392 2.028 1.00 0.00 O ATOM 0 H GLU A 34 18.300 -2.316 1.137 1.00 0.00 H new ATOM 0 HA GLU A 34 18.529 -4.150 3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.658 -1.107 3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.388 -2.246 4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 34 20.041 -2.124 1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 34 21.006 -1.354 2.807 1.00 0.00 H new ATOM 578 N LEU A 35 15.889 -2.225 3.623 1.00 0.00 N ATOM 579 CA LEU A 35 14.649 -2.111 4.452 1.00 0.00 C ATOM 580 C LEU A 35 13.837 -3.408 4.339 1.00 0.00 C ATOM 581 O LEU A 35 13.362 -3.930 5.328 1.00 0.00 O ATOM 582 CB LEU A 35 13.810 -0.920 3.973 1.00 0.00 C ATOM 583 CG LEU A 35 12.550 -0.760 4.840 1.00 0.00 C ATOM 584 CD1 LEU A 35 12.937 -0.456 6.298 1.00 0.00 C ATOM 585 CD2 LEU A 35 11.708 0.393 4.282 1.00 0.00 C ATOM 0 H LEU A 35 15.923 -1.620 2.803 1.00 0.00 H new ATOM 0 HA LEU A 35 14.923 -1.950 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.406 -0.008 4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.525 -1.065 2.931 1.00 0.00 H new ATOM 0 HG LEU A 35 11.978 -1.688 4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.034 -0.346 6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.538 -1.275 6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.514 0.468 6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.811 0.516 4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.291 1.314 4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.422 0.170 3.254 1.00 0.00 H new ATOM 597 N ILE A 36 13.689 -3.952 3.161 1.00 0.00 N ATOM 598 CA ILE A 36 12.929 -5.230 3.018 1.00 0.00 C ATOM 599 C ILE A 36 13.536 -6.288 3.943 1.00 0.00 C ATOM 600 O ILE A 36 12.841 -7.105 4.513 1.00 0.00 O ATOM 601 CB ILE A 36 13.041 -5.711 1.567 1.00 0.00 C ATOM 602 CG1 ILE A 36 12.686 -4.553 0.626 1.00 0.00 C ATOM 603 CG2 ILE A 36 12.069 -6.875 1.336 1.00 0.00 C ATOM 604 CD1 ILE A 36 12.591 -5.063 -0.814 1.00 0.00 C ATOM 0 H ILE A 36 14.060 -3.568 2.292 1.00 0.00 H new ATOM 0 HA ILE A 36 11.883 -5.070 3.282 1.00 0.00 H new ATOM 0 HB ILE A 36 14.059 -6.047 1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.738 -4.106 0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.443 -3.772 0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.149 -7.217 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.317 -7.695 2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.049 -6.542 1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.339 -4.236 -1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.549 -5.489 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.818 -5.829 -0.879 1.00 0.00 H new ATOM 616 N ASN A 37 14.834 -6.296 4.065 1.00 0.00 N ATOM 617 CA ASN A 37 15.511 -7.317 4.917 1.00 0.00 C ATOM 618 C ASN A 37 15.143 -7.140 6.395 1.00 0.00 C ATOM 619 O ASN A 37 15.197 -8.079 7.164 1.00 0.00 O ATOM 620 CB ASN A 37 17.026 -7.167 4.757 1.00 0.00 C ATOM 621 CG ASN A 37 17.743 -8.140 5.695 1.00 0.00 C ATOM 622 OD1 ASN A 37 18.538 -7.733 6.518 1.00 0.00 O ATOM 623 ND2 ASN A 37 17.495 -9.418 5.605 1.00 0.00 N ATOM 0 H ASN A 37 15.461 -5.634 3.608 1.00 0.00 H new ATOM 0 HA ASN A 37 15.185 -8.307 4.599 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.313 -7.364 3.724 1.00 0.00 H new ATOM 0 HB3 ASN A 37 17.325 -6.143 4.981 1.00 0.00 H new ATOM 0 HD21 ASN A 37 17.969 -10.074 6.226 1.00 0.00 H new ATOM 0 HD22 ASN A 37 16.827 -9.761 4.914 1.00 0.00 H new ATOM 630 N ASN A 38 14.801 -5.942 6.807 1.00 0.00 N ATOM 631 CA ASN A 38 14.463 -5.694 8.250 1.00 0.00 C ATOM 632 C ASN A 38 13.000 -5.266 8.408 1.00 0.00 C ATOM 633 O ASN A 38 12.574 -4.930 9.495 1.00 0.00 O ATOM 634 CB ASN A 38 15.367 -4.581 8.785 1.00 0.00 C ATOM 635 CG ASN A 38 16.831 -4.947 8.531 1.00 0.00 C ATOM 636 OD1 ASN A 38 17.126 -6.032 8.071 1.00 0.00 O ATOM 637 ND2 ASN A 38 17.766 -4.081 8.812 1.00 0.00 N ATOM 0 H ASN A 38 14.741 -5.121 6.205 1.00 0.00 H new ATOM 0 HA ASN A 38 14.616 -6.618 8.807 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.127 -3.637 8.297 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.196 -4.440 9.852 1.00 0.00 H new ATOM 0 HD21 ASN A 38 18.745 -4.315 8.645 1.00 0.00 H new ATOM 0 HD22 ASN A 38 17.518 -3.170 9.198 1.00 0.00 H new ATOM 644 N GLU A 39 12.227 -5.261 7.346 1.00 0.00 N ATOM 645 CA GLU A 39 10.789 -4.836 7.457 1.00 0.00 C ATOM 646 C GLU A 39 9.859 -5.971 7.021 1.00 0.00 C ATOM 647 O GLU A 39 8.745 -6.075 7.495 1.00 0.00 O ATOM 648 CB GLU A 39 10.554 -3.626 6.550 1.00 0.00 C ATOM 649 CG GLU A 39 9.219 -2.970 6.906 1.00 0.00 C ATOM 650 CD GLU A 39 9.343 -2.258 8.255 1.00 0.00 C ATOM 651 OE1 GLU A 39 9.700 -1.092 8.256 1.00 0.00 O ATOM 652 OE2 GLU A 39 9.081 -2.893 9.263 1.00 0.00 O ATOM 0 H GLU A 39 12.527 -5.532 6.409 1.00 0.00 H new ATOM 0 HA GLU A 39 10.576 -4.581 8.495 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.366 -2.908 6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.551 -3.937 5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.934 -2.258 6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.432 -3.723 6.951 1.00 0.00 H new ATOM 659 N LEU A 40 10.307 -6.829 6.137 1.00 0.00 N ATOM 660 CA LEU A 40 9.451 -7.973 5.673 1.00 0.00 C ATOM 661 C LEU A 40 10.137 -9.291 6.055 1.00 0.00 C ATOM 662 O LEU A 40 9.900 -10.324 5.462 1.00 0.00 O ATOM 663 CB LEU A 40 9.276 -7.886 4.139 1.00 0.00 C ATOM 664 CG LEU A 40 7.958 -7.174 3.789 1.00 0.00 C ATOM 665 CD1 LEU A 40 7.920 -5.783 4.438 1.00 0.00 C ATOM 666 CD2 LEU A 40 7.846 -7.038 2.268 1.00 0.00 C ATOM 0 H LEU A 40 11.234 -6.788 5.713 1.00 0.00 H new ATOM 0 HA LEU A 40 8.469 -7.928 6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.116 -7.346 3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.281 -8.887 3.709 1.00 0.00 H new ATOM 0 HG LEU A 40 7.121 -7.761 4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.983 -5.288 4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.994 -5.885 5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.756 -5.187 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.913 -6.534 2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.687 -6.455 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.858 -8.028 1.812 1.00 0.00 H new ATOM 678 N SER A 41 10.982 -9.255 7.049 1.00 0.00 N ATOM 679 CA SER A 41 11.685 -10.495 7.484 1.00 0.00 C ATOM 680 C SER A 41 10.688 -11.441 8.154 1.00 0.00 C ATOM 681 O SER A 41 10.873 -12.641 8.173 1.00 0.00 O ATOM 682 CB SER A 41 12.786 -10.131 8.480 1.00 0.00 C ATOM 683 OG SER A 41 13.415 -11.320 8.939 1.00 0.00 O ATOM 0 H SER A 41 11.216 -8.417 7.581 1.00 0.00 H new ATOM 0 HA SER A 41 12.124 -10.986 6.616 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.519 -9.477 8.007 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.364 -9.581 9.321 1.00 0.00 H new ATOM 0 HG SER A 41 14.123 -11.090 9.577 1.00 0.00 H new ATOM 689 N HIS A 42 9.628 -10.912 8.703 1.00 0.00 N ATOM 690 CA HIS A 42 8.621 -11.785 9.367 1.00 0.00 C ATOM 691 C HIS A 42 7.819 -12.536 8.302 1.00 0.00 C ATOM 692 O HIS A 42 7.552 -13.715 8.427 1.00 0.00 O ATOM 693 CB HIS A 42 7.677 -10.923 10.207 1.00 0.00 C ATOM 694 CG HIS A 42 6.735 -11.807 10.975 1.00 0.00 C ATOM 695 ND1 HIS A 42 7.174 -12.670 11.967 1.00 0.00 N ATOM 696 CD2 HIS A 42 5.373 -11.973 10.910 1.00 0.00 C ATOM 697 CE1 HIS A 42 6.095 -13.310 12.454 1.00 0.00 C ATOM 698 NE2 HIS A 42 4.972 -12.923 11.845 1.00 0.00 N ATOM 0 H HIS A 42 9.417 -9.914 8.720 1.00 0.00 H new ATOM 0 HA HIS A 42 9.127 -12.503 10.013 1.00 0.00 H new ATOM 0 HB2 HIS A 42 8.251 -10.302 10.895 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.114 -10.248 9.562 1.00 0.00 H new ATOM 0 HD2 HIS A 42 4.714 -11.446 10.236 1.00 0.00 H new ATOM 0 HE1 HIS A 42 6.133 -14.047 13.242 1.00 0.00 H new ATOM 0 HE2 HIS A 42 4.024 -13.253 12.026 1.00 0.00 H new ATOM 706 N PHE A 43 7.432 -11.860 7.255 1.00 0.00 N ATOM 707 CA PHE A 43 6.647 -12.532 6.181 1.00 0.00 C ATOM 708 C PHE A 43 7.547 -13.516 5.429 1.00 0.00 C ATOM 709 O PHE A 43 7.081 -14.452 4.809 1.00 0.00 O ATOM 710 CB PHE A 43 6.111 -11.479 5.207 1.00 0.00 C ATOM 711 CG PHE A 43 5.004 -10.691 5.871 1.00 0.00 C ATOM 712 CD1 PHE A 43 3.735 -11.263 6.027 1.00 0.00 C ATOM 713 CD2 PHE A 43 5.246 -9.390 6.329 1.00 0.00 C ATOM 714 CE1 PHE A 43 2.709 -10.534 6.640 1.00 0.00 C ATOM 715 CE2 PHE A 43 4.219 -8.661 6.942 1.00 0.00 C ATOM 716 CZ PHE A 43 2.951 -9.233 7.098 1.00 0.00 C ATOM 0 H PHE A 43 7.626 -10.871 7.097 1.00 0.00 H new ATOM 0 HA PHE A 43 5.812 -13.074 6.625 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.915 -10.809 4.901 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.737 -11.961 4.304 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.548 -12.267 5.674 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.224 -8.949 6.210 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.731 -10.975 6.760 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.406 -7.657 7.294 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.160 -8.671 7.571 1.00 0.00 H new ATOM 726 N LEU A 44 8.833 -13.300 5.468 1.00 0.00 N ATOM 727 CA LEU A 44 9.772 -14.207 4.746 1.00 0.00 C ATOM 728 C LEU A 44 9.425 -15.668 5.063 1.00 0.00 C ATOM 729 O LEU A 44 9.646 -16.556 4.264 1.00 0.00 O ATOM 730 CB LEU A 44 11.216 -13.888 5.190 1.00 0.00 C ATOM 731 CG LEU A 44 12.216 -14.097 4.034 1.00 0.00 C ATOM 732 CD1 LEU A 44 12.083 -15.520 3.479 1.00 0.00 C ATOM 733 CD2 LEU A 44 11.969 -13.068 2.906 1.00 0.00 C ATOM 0 H LEU A 44 9.276 -12.531 5.971 1.00 0.00 H new ATOM 0 HA LEU A 44 9.684 -14.056 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.272 -12.857 5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.490 -14.526 6.031 1.00 0.00 H new ATOM 0 HG LEU A 44 13.225 -13.953 4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.792 -15.660 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.293 -16.240 4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.069 -15.673 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.685 -13.232 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.956 -13.186 2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.092 -12.059 3.300 1.00 0.00 H new ATOM 745 N GLU A 45 8.887 -15.929 6.221 1.00 0.00 N ATOM 746 CA GLU A 45 8.539 -17.333 6.576 1.00 0.00 C ATOM 747 C GLU A 45 7.308 -17.782 5.785 1.00 0.00 C ATOM 748 O GLU A 45 7.237 -18.897 5.309 1.00 0.00 O ATOM 749 CB GLU A 45 8.241 -17.418 8.075 1.00 0.00 C ATOM 750 CG GLU A 45 8.248 -18.883 8.515 1.00 0.00 C ATOM 751 CD GLU A 45 7.800 -18.979 9.975 1.00 0.00 C ATOM 752 OE1 GLU A 45 6.633 -18.737 10.232 1.00 0.00 O ATOM 753 OE2 GLU A 45 8.632 -19.294 10.810 1.00 0.00 O ATOM 0 H GLU A 45 8.674 -15.233 6.936 1.00 0.00 H new ATOM 0 HA GLU A 45 9.378 -17.984 6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.986 -16.855 8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.272 -16.967 8.290 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.582 -19.468 7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.247 -19.303 8.402 1.00 0.00 H new ATOM 760 N GLU A 46 6.335 -16.924 5.648 1.00 0.00 N ATOM 761 CA GLU A 46 5.100 -17.300 4.895 1.00 0.00 C ATOM 762 C GLU A 46 5.289 -17.014 3.403 1.00 0.00 C ATOM 763 O GLU A 46 4.547 -16.255 2.812 1.00 0.00 O ATOM 764 CB GLU A 46 3.919 -16.483 5.422 1.00 0.00 C ATOM 765 CG GLU A 46 3.821 -16.648 6.940 1.00 0.00 C ATOM 766 CD GLU A 46 2.464 -16.132 7.423 1.00 0.00 C ATOM 767 OE1 GLU A 46 1.484 -16.369 6.736 1.00 0.00 O ATOM 768 OE2 GLU A 46 2.428 -15.510 8.471 1.00 0.00 O ATOM 0 H GLU A 46 6.340 -15.976 6.025 1.00 0.00 H new ATOM 0 HA GLU A 46 4.906 -18.364 5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.048 -15.431 5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.994 -16.814 4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.940 -17.697 7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.626 -16.099 7.429 1.00 0.00 H new ATOM 775 N ILE A 47 6.273 -17.626 2.788 1.00 0.00 N ATOM 776 CA ILE A 47 6.525 -17.410 1.325 1.00 0.00 C ATOM 777 C ILE A 47 6.443 -18.754 0.600 1.00 0.00 C ATOM 778 O ILE A 47 7.362 -19.548 0.639 1.00 0.00 O ATOM 779 CB ILE A 47 7.927 -16.823 1.131 1.00 0.00 C ATOM 780 CG1 ILE A 47 8.046 -15.471 1.858 1.00 0.00 C ATOM 781 CG2 ILE A 47 8.208 -16.638 -0.362 1.00 0.00 C ATOM 782 CD1 ILE A 47 6.955 -14.495 1.391 1.00 0.00 C ATOM 0 H ILE A 47 6.919 -18.272 3.241 1.00 0.00 H new ATOM 0 HA ILE A 47 5.780 -16.723 0.923 1.00 0.00 H new ATOM 0 HB ILE A 47 8.659 -17.512 1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.965 -15.625 2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.029 -15.039 1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.206 -16.220 -0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.148 -17.603 -0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.470 -15.959 -0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.063 -13.548 1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.054 -14.324 0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.973 -14.919 1.602 1.00 0.00 H new ATOM 794 N LYS A 48 5.349 -19.019 -0.065 1.00 0.00 N ATOM 795 CA LYS A 48 5.211 -20.315 -0.793 1.00 0.00 C ATOM 796 C LYS A 48 5.803 -20.173 -2.198 1.00 0.00 C ATOM 797 O LYS A 48 6.470 -21.059 -2.693 1.00 0.00 O ATOM 798 CB LYS A 48 3.728 -20.689 -0.891 1.00 0.00 C ATOM 799 CG LYS A 48 3.040 -20.415 0.450 1.00 0.00 C ATOM 800 CD LYS A 48 3.799 -21.127 1.573 1.00 0.00 C ATOM 801 CE LYS A 48 2.929 -21.174 2.831 1.00 0.00 C ATOM 802 NZ LYS A 48 2.311 -19.837 3.059 1.00 0.00 N ATOM 0 H LYS A 48 4.546 -18.394 -0.135 1.00 0.00 H new ATOM 0 HA LYS A 48 5.745 -21.098 -0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.248 -20.112 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.625 -21.741 -1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.009 -19.342 0.642 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.008 -20.763 0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.063 -22.138 1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.732 -20.604 1.783 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.153 -21.931 2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.532 -21.459 3.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.747 -19.860 3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.059 -19.120 3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.695 -19.598 2.256 1.00 0.00 H new ATOM 816 N GLU A 49 5.567 -19.060 -2.842 1.00 0.00 N ATOM 817 CA GLU A 49 6.120 -18.856 -4.214 1.00 0.00 C ATOM 818 C GLU A 49 7.544 -18.307 -4.106 1.00 0.00 C ATOM 819 O GLU A 49 7.748 -17.152 -3.793 1.00 0.00 O ATOM 820 CB GLU A 49 5.244 -17.856 -4.972 1.00 0.00 C ATOM 821 CG GLU A 49 3.939 -18.533 -5.392 1.00 0.00 C ATOM 822 CD GLU A 49 3.228 -19.083 -4.154 1.00 0.00 C ATOM 823 OE1 GLU A 49 2.955 -18.303 -3.256 1.00 0.00 O ATOM 824 OE2 GLU A 49 2.971 -20.275 -4.124 1.00 0.00 O ATOM 0 H GLU A 49 5.015 -18.283 -2.477 1.00 0.00 H new ATOM 0 HA GLU A 49 6.133 -19.805 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.031 -16.993 -4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.773 -17.487 -5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.296 -17.819 -5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.145 -19.340 -6.095 1.00 0.00 H new ATOM 831 N GLN A 50 8.532 -19.119 -4.370 1.00 0.00 N ATOM 832 CA GLN A 50 9.939 -18.631 -4.290 1.00 0.00 C ATOM 833 C GLN A 50 10.310 -17.921 -5.594 1.00 0.00 C ATOM 834 O GLN A 50 11.145 -17.039 -5.616 1.00 0.00 O ATOM 835 CB GLN A 50 10.876 -19.822 -4.078 1.00 0.00 C ATOM 836 CG GLN A 50 10.663 -20.398 -2.677 1.00 0.00 C ATOM 837 CD GLN A 50 9.270 -21.025 -2.590 1.00 0.00 C ATOM 838 OE1 GLN A 50 8.727 -21.469 -3.582 1.00 0.00 O ATOM 839 NE2 GLN A 50 8.665 -21.081 -1.435 1.00 0.00 N ATOM 0 H GLN A 50 8.426 -20.098 -4.637 1.00 0.00 H new ATOM 0 HA GLN A 50 10.035 -17.934 -3.457 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.684 -20.587 -4.830 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.913 -19.508 -4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.425 -21.147 -2.460 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.767 -19.612 -1.929 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.121 -20.708 -0.602 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.737 -21.497 -1.365 1.00 0.00 H new ATOM 848 N GLU A 51 9.702 -18.305 -6.683 1.00 0.00 N ATOM 849 CA GLU A 51 10.026 -17.658 -7.987 1.00 0.00 C ATOM 850 C GLU A 51 9.428 -16.248 -8.048 1.00 0.00 C ATOM 851 O GLU A 51 9.903 -15.405 -8.783 1.00 0.00 O ATOM 852 CB GLU A 51 9.498 -18.507 -9.144 1.00 0.00 C ATOM 853 CG GLU A 51 10.072 -19.922 -9.044 1.00 0.00 C ATOM 854 CD GLU A 51 11.578 -19.882 -9.308 1.00 0.00 C ATOM 855 OE1 GLU A 51 12.029 -18.921 -9.908 1.00 0.00 O ATOM 856 OE2 GLU A 51 12.254 -20.814 -8.905 1.00 0.00 O ATOM 0 H GLU A 51 8.995 -19.039 -6.727 1.00 0.00 H new ATOM 0 HA GLU A 51 11.110 -17.579 -8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.409 -18.542 -9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.777 -18.056 -10.096 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.876 -20.336 -8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.583 -20.576 -9.766 1.00 0.00 H new ATOM 863 N VAL A 52 8.421 -15.962 -7.270 1.00 0.00 N ATOM 864 CA VAL A 52 7.854 -14.582 -7.288 1.00 0.00 C ATOM 865 C VAL A 52 8.815 -13.660 -6.537 1.00 0.00 C ATOM 866 O VAL A 52 9.199 -12.619 -7.033 1.00 0.00 O ATOM 867 CB VAL A 52 6.488 -14.571 -6.591 1.00 0.00 C ATOM 868 CG1 VAL A 52 6.017 -13.127 -6.390 1.00 0.00 C ATOM 869 CG2 VAL A 52 5.468 -15.314 -7.453 1.00 0.00 C ATOM 0 H VAL A 52 7.970 -16.615 -6.629 1.00 0.00 H new ATOM 0 HA VAL A 52 7.727 -14.244 -8.317 1.00 0.00 H new ATOM 0 HB VAL A 52 6.580 -15.061 -5.622 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.046 -13.127 -5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.739 -12.591 -5.774 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.930 -12.634 -7.358 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.498 -15.306 -6.957 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.384 -14.823 -8.422 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.794 -16.344 -7.595 1.00 0.00 H new ATOM 879 N VAL A 53 9.216 -14.024 -5.354 1.00 0.00 N ATOM 880 CA VAL A 53 10.156 -13.150 -4.602 1.00 0.00 C ATOM 881 C VAL A 53 11.473 -13.055 -5.373 1.00 0.00 C ATOM 882 O VAL A 53 12.137 -12.038 -5.367 1.00 0.00 O ATOM 883 CB VAL A 53 10.409 -13.742 -3.213 1.00 0.00 C ATOM 884 CG1 VAL A 53 11.511 -12.947 -2.508 1.00 0.00 C ATOM 885 CG2 VAL A 53 9.122 -13.668 -2.387 1.00 0.00 C ATOM 0 H VAL A 53 8.937 -14.882 -4.878 1.00 0.00 H new ATOM 0 HA VAL A 53 9.725 -12.155 -4.490 1.00 0.00 H new ATOM 0 HB VAL A 53 10.721 -14.782 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.689 -13.370 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.428 -12.997 -3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 53 11.201 -11.907 -2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.300 -14.089 -1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.812 -12.628 -2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.336 -14.235 -2.886 1.00 0.00 H new ATOM 895 N ASP A 54 11.858 -14.109 -6.038 1.00 0.00 N ATOM 896 CA ASP A 54 13.131 -14.076 -6.808 1.00 0.00 C ATOM 897 C ASP A 54 13.069 -12.962 -7.855 1.00 0.00 C ATOM 898 O ASP A 54 14.022 -12.239 -8.063 1.00 0.00 O ATOM 899 CB ASP A 54 13.343 -15.419 -7.508 1.00 0.00 C ATOM 900 CG ASP A 54 13.572 -16.511 -6.461 1.00 0.00 C ATOM 901 OD1 ASP A 54 13.985 -16.175 -5.363 1.00 0.00 O ATOM 902 OD2 ASP A 54 13.331 -17.665 -6.775 1.00 0.00 O ATOM 0 H ASP A 54 11.346 -14.990 -6.081 1.00 0.00 H new ATOM 0 HA ASP A 54 13.959 -13.888 -6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.474 -15.663 -8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.199 -15.360 -8.180 1.00 0.00 H new ATOM 907 N LYS A 55 11.956 -12.828 -8.530 1.00 0.00 N ATOM 908 CA LYS A 55 11.847 -11.770 -9.576 1.00 0.00 C ATOM 909 C LYS A 55 11.808 -10.391 -8.916 1.00 0.00 C ATOM 910 O LYS A 55 12.231 -9.412 -9.499 1.00 0.00 O ATOM 911 CB LYS A 55 10.582 -11.987 -10.413 1.00 0.00 C ATOM 912 CG LYS A 55 10.712 -13.272 -11.255 1.00 0.00 C ATOM 913 CD LYS A 55 11.429 -12.976 -12.588 1.00 0.00 C ATOM 914 CE LYS A 55 10.421 -12.474 -13.630 1.00 0.00 C ATOM 915 NZ LYS A 55 11.116 -12.265 -14.932 1.00 0.00 N ATOM 0 H LYS A 55 11.123 -13.403 -8.402 1.00 0.00 H new ATOM 0 HA LYS A 55 12.716 -11.827 -10.231 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.713 -12.059 -9.759 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.419 -11.130 -11.067 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.268 -14.025 -10.696 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.723 -13.686 -11.452 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.206 -12.228 -12.433 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.922 -13.877 -12.952 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.614 -13.197 -13.748 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.968 -11.542 -13.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.434 -11.925 -15.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.872 -11.560 -14.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.528 -13.164 -15.254 1.00 0.00 H new ATOM 929 N VAL A 56 11.348 -10.294 -7.700 1.00 0.00 N ATOM 930 CA VAL A 56 11.339 -8.970 -7.019 1.00 0.00 C ATOM 931 C VAL A 56 12.784 -8.490 -6.882 1.00 0.00 C ATOM 932 O VAL A 56 13.136 -7.412 -7.317 1.00 0.00 O ATOM 933 CB VAL A 56 10.721 -9.124 -5.628 1.00 0.00 C ATOM 934 CG1 VAL A 56 10.820 -7.795 -4.874 1.00 0.00 C ATOM 935 CG2 VAL A 56 9.248 -9.523 -5.770 1.00 0.00 C ATOM 0 H VAL A 56 10.980 -11.070 -7.151 1.00 0.00 H new ATOM 0 HA VAL A 56 10.757 -8.251 -7.595 1.00 0.00 H new ATOM 0 HB VAL A 56 11.257 -9.895 -5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.380 -7.905 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.867 -7.509 -4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.284 -7.023 -5.426 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.804 -9.634 -4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.714 -8.751 -6.323 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.177 -10.469 -6.307 1.00 0.00 H new ATOM 945 N MET A 57 13.621 -9.284 -6.277 1.00 0.00 N ATOM 946 CA MET A 57 15.043 -8.880 -6.103 1.00 0.00 C ATOM 947 C MET A 57 15.652 -8.495 -7.453 1.00 0.00 C ATOM 948 O MET A 57 16.582 -7.715 -7.518 1.00 0.00 O ATOM 949 CB MET A 57 15.831 -10.046 -5.503 1.00 0.00 C ATOM 950 CG MET A 57 15.478 -10.196 -4.022 1.00 0.00 C ATOM 951 SD MET A 57 16.296 -8.889 -3.074 1.00 0.00 S ATOM 952 CE MET A 57 15.137 -8.859 -1.684 1.00 0.00 C ATOM 0 H MET A 57 13.381 -10.198 -5.894 1.00 0.00 H new ATOM 0 HA MET A 57 15.090 -8.020 -5.435 1.00 0.00 H new ATOM 0 HB2 MET A 57 15.600 -10.967 -6.037 1.00 0.00 H new ATOM 0 HB3 MET A 57 16.901 -9.872 -5.616 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.398 -10.137 -3.886 1.00 0.00 H new ATOM 0 HG3 MET A 57 15.792 -11.175 -3.659 1.00 0.00 H new ATOM 0 HE1 MET A 57 15.455 -8.107 -0.961 1.00 0.00 H new ATOM 0 HE2 MET A 57 14.139 -8.614 -2.048 1.00 0.00 H new ATOM 0 HE3 MET A 57 15.118 -9.838 -1.205 1.00 0.00 H new ATOM 962 N GLU A 58 15.131 -9.012 -8.538 1.00 0.00 N ATOM 963 CA GLU A 58 15.678 -8.643 -9.879 1.00 0.00 C ATOM 964 C GLU A 58 15.008 -7.355 -10.363 1.00 0.00 C ATOM 965 O GLU A 58 15.633 -6.530 -10.997 1.00 0.00 O ATOM 966 CB GLU A 58 15.452 -9.779 -10.881 1.00 0.00 C ATOM 967 CG GLU A 58 16.395 -9.610 -12.074 1.00 0.00 C ATOM 968 CD GLU A 58 15.941 -10.520 -13.217 1.00 0.00 C ATOM 969 OE1 GLU A 58 14.903 -11.144 -13.074 1.00 0.00 O ATOM 970 OE2 GLU A 58 16.640 -10.576 -14.216 1.00 0.00 O ATOM 0 H GLU A 58 14.353 -9.672 -8.553 1.00 0.00 H new ATOM 0 HA GLU A 58 16.752 -8.477 -9.796 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.627 -10.741 -10.400 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.416 -9.777 -11.221 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.400 -8.571 -12.403 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.416 -9.857 -11.782 1.00 0.00 H new ATOM 977 N THR A 59 13.757 -7.152 -10.059 1.00 0.00 N ATOM 978 CA THR A 59 13.100 -5.895 -10.497 1.00 0.00 C ATOM 979 C THR A 59 13.743 -4.734 -9.741 1.00 0.00 C ATOM 980 O THR A 59 14.155 -3.760 -10.339 1.00 0.00 O ATOM 981 CB THR A 59 11.604 -5.957 -10.206 1.00 0.00 C ATOM 982 OG1 THR A 59 11.402 -6.373 -8.863 1.00 0.00 O ATOM 983 CG2 THR A 59 10.936 -6.949 -11.159 1.00 0.00 C ATOM 0 H THR A 59 13.168 -7.796 -9.531 1.00 0.00 H new ATOM 0 HA THR A 59 13.228 -5.756 -11.570 1.00 0.00 H new ATOM 0 HB THR A 59 11.164 -4.970 -10.350 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.229 -6.768 -8.515 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.867 -6.992 -10.949 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.091 -6.626 -12.188 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.373 -7.938 -11.020 1.00 0.00 H new ATOM 991 N LEU A 60 13.877 -4.825 -8.450 1.00 0.00 N ATOM 992 CA LEU A 60 14.544 -3.717 -7.715 1.00 0.00 C ATOM 993 C LEU A 60 15.950 -3.543 -8.285 1.00 0.00 C ATOM 994 O LEU A 60 16.317 -2.480 -8.742 1.00 0.00 O ATOM 995 CB LEU A 60 14.643 -4.069 -6.228 1.00 0.00 C ATOM 996 CG LEU A 60 13.257 -4.423 -5.680 1.00 0.00 C ATOM 997 CD1 LEU A 60 13.402 -4.970 -4.258 1.00 0.00 C ATOM 998 CD2 LEU A 60 12.365 -3.173 -5.659 1.00 0.00 C ATOM 0 H LEU A 60 13.559 -5.607 -7.877 1.00 0.00 H new ATOM 0 HA LEU A 60 13.970 -2.797 -7.826 1.00 0.00 H new ATOM 0 HB2 LEU A 60 15.323 -4.909 -6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.058 -3.227 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 60 12.798 -5.176 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.418 -5.223 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 60 14.028 -5.862 -4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.864 -4.214 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.382 -3.434 -5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.818 -2.413 -5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.261 -2.783 -6.672 1.00 0.00 H new ATOM 1010 N ASP A 61 16.740 -4.584 -8.272 1.00 0.00 N ATOM 1011 CA ASP A 61 18.116 -4.474 -8.825 1.00 0.00 C ATOM 1012 C ASP A 61 18.046 -3.884 -10.234 1.00 0.00 C ATOM 1013 O ASP A 61 18.994 -3.295 -10.716 1.00 0.00 O ATOM 1014 CB ASP A 61 18.754 -5.864 -8.887 1.00 0.00 C ATOM 1015 CG ASP A 61 18.895 -6.423 -7.471 1.00 0.00 C ATOM 1016 OD1 ASP A 61 18.113 -6.033 -6.620 1.00 0.00 O ATOM 1017 OD2 ASP A 61 19.785 -7.231 -7.260 1.00 0.00 O ATOM 0 H ASP A 61 16.491 -5.502 -7.903 1.00 0.00 H new ATOM 0 HA ASP A 61 18.717 -3.828 -8.185 1.00 0.00 H new ATOM 0 HB2 ASP A 61 18.141 -6.531 -9.493 1.00 0.00 H new ATOM 0 HB3 ASP A 61 19.731 -5.806 -9.366 1.00 0.00 H new ATOM 1022 N GLU A 62 16.925 -4.039 -10.902 1.00 0.00 N ATOM 1023 CA GLU A 62 16.782 -3.490 -12.290 1.00 0.00 C ATOM 1024 C GLU A 62 15.996 -2.186 -12.234 1.00 0.00 C ATOM 1025 O GLU A 62 15.175 -1.887 -13.078 1.00 0.00 O ATOM 1026 CB GLU A 62 16.037 -4.470 -13.146 1.00 0.00 C ATOM 1027 CG GLU A 62 16.932 -5.663 -13.482 1.00 0.00 C ATOM 1028 CD GLU A 62 16.116 -6.716 -14.233 1.00 0.00 C ATOM 1029 OE1 GLU A 62 14.912 -6.757 -14.035 1.00 0.00 O ATOM 1030 OE2 GLU A 62 16.707 -7.463 -14.995 1.00 0.00 O ATOM 0 H GLU A 62 16.102 -4.523 -10.544 1.00 0.00 H new ATOM 0 HA GLU A 62 17.771 -3.313 -12.712 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.142 -4.812 -12.626 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.706 -3.984 -14.064 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.776 -5.338 -14.091 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.345 -6.091 -12.568 1.00 0.00 H new ATOM 1037 N ASP A 63 16.271 -1.421 -11.252 1.00 0.00 N ATOM 1038 CA ASP A 63 15.592 -0.103 -11.079 1.00 0.00 C ATOM 1039 C ASP A 63 15.552 0.633 -12.419 1.00 0.00 C ATOM 1040 O ASP A 63 14.591 1.296 -12.752 1.00 0.00 O ATOM 1041 CB ASP A 63 16.426 0.727 -10.099 1.00 0.00 C ATOM 1042 CG ASP A 63 15.760 2.086 -9.879 1.00 0.00 C ATOM 1043 OD1 ASP A 63 14.679 2.111 -9.314 1.00 0.00 O ATOM 1044 OD2 ASP A 63 16.345 3.080 -10.277 1.00 0.00 O ATOM 0 H ASP A 63 16.956 -1.643 -10.529 1.00 0.00 H new ATOM 0 HA ASP A 63 14.576 -0.249 -10.712 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.521 0.200 -9.150 1.00 0.00 H new ATOM 0 HB3 ASP A 63 17.434 0.864 -10.490 1.00 0.00 H new ATOM 1049 N GLY A 64 16.584 0.468 -13.199 1.00 0.00 N ATOM 1050 CA GLY A 64 16.651 1.096 -14.556 1.00 0.00 C ATOM 1051 C GLY A 64 16.344 2.605 -14.527 1.00 0.00 C ATOM 1052 O GLY A 64 16.521 3.276 -15.525 1.00 0.00 O ATOM 0 H GLY A 64 17.403 -0.087 -12.950 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.645 0.939 -14.976 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.943 0.598 -15.218 1.00 0.00 H new ATOM 1056 N ASP A 65 15.894 3.158 -13.418 1.00 0.00 N ATOM 1057 CA ASP A 65 15.588 4.641 -13.382 1.00 0.00 C ATOM 1058 C ASP A 65 16.652 5.443 -12.588 1.00 0.00 C ATOM 1059 O ASP A 65 16.900 6.588 -12.916 1.00 0.00 O ATOM 1060 CB ASP A 65 14.226 4.847 -12.719 1.00 0.00 C ATOM 1061 CG ASP A 65 14.217 4.179 -11.344 1.00 0.00 C ATOM 1062 OD1 ASP A 65 14.715 4.785 -10.410 1.00 0.00 O ATOM 1063 OD2 ASP A 65 13.711 3.073 -11.248 1.00 0.00 O ATOM 0 H ASP A 65 15.726 2.658 -12.545 1.00 0.00 H new ATOM 0 HA ASP A 65 15.591 5.006 -14.409 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.017 5.912 -12.618 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.439 4.426 -13.344 1.00 0.00 H new ATOM 1068 N GLY A 66 17.287 4.899 -11.567 1.00 0.00 N ATOM 1069 CA GLY A 66 18.315 5.683 -10.804 1.00 0.00 C ATOM 1070 C GLY A 66 17.727 6.132 -9.463 1.00 0.00 C ATOM 1071 O GLY A 66 18.441 6.326 -8.501 1.00 0.00 O ATOM 0 H GLY A 66 17.136 3.947 -11.232 1.00 0.00 H new ATOM 0 HA2 GLY A 66 19.203 5.073 -10.637 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.629 6.551 -11.384 1.00 0.00 H new ATOM 1075 N GLU A 67 16.427 6.283 -9.382 1.00 0.00 N ATOM 1076 CA GLU A 67 15.803 6.703 -8.085 1.00 0.00 C ATOM 1077 C GLU A 67 14.400 6.097 -7.964 1.00 0.00 C ATOM 1078 O GLU A 67 13.599 6.191 -8.873 1.00 0.00 O ATOM 1079 CB GLU A 67 15.711 8.230 -8.032 1.00 0.00 C ATOM 1080 CG GLU A 67 17.097 8.821 -7.762 1.00 0.00 C ATOM 1081 CD GLU A 67 16.979 10.334 -7.571 1.00 0.00 C ATOM 1082 OE1 GLU A 67 16.464 10.985 -8.465 1.00 0.00 O ATOM 1083 OE2 GLU A 67 17.405 10.816 -6.535 1.00 0.00 O ATOM 0 H GLU A 67 15.774 6.135 -10.151 1.00 0.00 H new ATOM 0 HA GLU A 67 16.418 6.348 -7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.319 8.613 -8.974 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.016 8.535 -7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.532 8.364 -6.873 1.00 0.00 H new ATOM 0 HG3 GLU A 67 17.766 8.600 -8.593 1.00 0.00 H new ATOM 1090 N CYS A 68 14.089 5.481 -6.847 1.00 0.00 N ATOM 1091 CA CYS A 68 12.731 4.873 -6.665 1.00 0.00 C ATOM 1092 C CYS A 68 11.882 5.788 -5.778 1.00 0.00 C ATOM 1093 O CYS A 68 12.276 6.152 -4.687 1.00 0.00 O ATOM 1094 CB CYS A 68 12.875 3.501 -5.998 1.00 0.00 C ATOM 1095 SG CYS A 68 11.251 2.918 -5.452 1.00 0.00 S ATOM 0 H CYS A 68 14.719 5.373 -6.052 1.00 0.00 H new ATOM 0 HA CYS A 68 12.247 4.756 -7.635 1.00 0.00 H new ATOM 0 HB2 CYS A 68 13.312 2.789 -6.698 1.00 0.00 H new ATOM 0 HB3 CYS A 68 13.553 3.568 -5.147 1.00 0.00 H new ATOM 0 HG CYS A 68 10.665 3.850 -4.760 1.00 0.00 H new ATOM 1101 N ASP A 69 10.721 6.168 -6.241 1.00 0.00 N ATOM 1102 CA ASP A 69 9.846 7.066 -5.432 1.00 0.00 C ATOM 1103 C ASP A 69 9.031 6.237 -4.436 1.00 0.00 C ATOM 1104 O ASP A 69 9.208 5.040 -4.317 1.00 0.00 O ATOM 1105 CB ASP A 69 8.894 7.819 -6.364 1.00 0.00 C ATOM 1106 CG ASP A 69 8.202 8.943 -5.591 1.00 0.00 C ATOM 1107 OD1 ASP A 69 8.899 9.698 -4.932 1.00 0.00 O ATOM 1108 OD2 ASP A 69 6.988 9.032 -5.672 1.00 0.00 O ATOM 0 H ASP A 69 10.340 5.895 -7.147 1.00 0.00 H new ATOM 0 HA ASP A 69 10.466 7.777 -4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.446 8.231 -7.209 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.151 7.134 -6.772 1.00 0.00 H new ATOM 1113 N PHE A 70 8.134 6.865 -3.724 1.00 0.00 N ATOM 1114 CA PHE A 70 7.300 6.116 -2.740 1.00 0.00 C ATOM 1115 C PHE A 70 6.217 5.333 -3.489 1.00 0.00 C ATOM 1116 O PHE A 70 5.843 4.248 -3.089 1.00 0.00 O ATOM 1117 CB PHE A 70 6.659 7.103 -1.760 1.00 0.00 C ATOM 1118 CG PHE A 70 5.901 6.353 -0.691 1.00 0.00 C ATOM 1119 CD1 PHE A 70 4.635 5.826 -0.971 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.460 6.191 0.583 1.00 0.00 C ATOM 1121 CE1 PHE A 70 3.929 5.136 0.021 1.00 0.00 C ATOM 1122 CE2 PHE A 70 5.754 5.501 1.575 1.00 0.00 C ATOM 1123 CZ PHE A 70 4.488 4.973 1.294 1.00 0.00 C ATOM 0 H PHE A 70 7.943 7.865 -3.781 1.00 0.00 H new ATOM 0 HA PHE A 70 7.922 5.417 -2.181 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.428 7.725 -1.303 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.984 7.772 -2.294 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.203 5.952 -1.953 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.436 6.599 0.800 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.952 4.729 -0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.186 5.376 2.557 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.943 4.440 2.059 1.00 0.00 H new ATOM 1133 N GLN A 71 5.715 5.857 -4.572 1.00 0.00 N ATOM 1134 CA GLN A 71 4.668 5.115 -5.333 1.00 0.00 C ATOM 1135 C GLN A 71 5.231 3.760 -5.766 1.00 0.00 C ATOM 1136 O GLN A 71 4.549 2.755 -5.732 1.00 0.00 O ATOM 1137 CB GLN A 71 4.265 5.920 -6.571 1.00 0.00 C ATOM 1138 CG GLN A 71 2.979 5.337 -7.161 1.00 0.00 C ATOM 1139 CD GLN A 71 2.523 6.195 -8.343 1.00 0.00 C ATOM 1140 OE1 GLN A 71 3.336 6.724 -9.075 1.00 0.00 O ATOM 1141 NE2 GLN A 71 1.247 6.354 -8.563 1.00 0.00 N ATOM 0 H GLN A 71 5.981 6.761 -4.962 1.00 0.00 H new ATOM 0 HA GLN A 71 3.792 4.966 -4.701 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.114 6.966 -6.305 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.064 5.892 -7.312 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.149 4.311 -7.487 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.200 5.304 -6.400 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.564 5.910 -7.949 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.932 6.922 -9.349 1.00 0.00 H new ATOM 1150 N GLU A 72 6.471 3.719 -6.164 1.00 0.00 N ATOM 1151 CA GLU A 72 7.076 2.425 -6.587 1.00 0.00 C ATOM 1152 C GLU A 72 7.291 1.533 -5.358 1.00 0.00 C ATOM 1153 O GLU A 72 7.342 0.324 -5.454 1.00 0.00 O ATOM 1154 CB GLU A 72 8.415 2.684 -7.289 1.00 0.00 C ATOM 1155 CG GLU A 72 8.161 3.152 -8.724 1.00 0.00 C ATOM 1156 CD GLU A 72 9.462 3.690 -9.323 1.00 0.00 C ATOM 1157 OE1 GLU A 72 9.873 4.768 -8.926 1.00 0.00 O ATOM 1158 OE2 GLU A 72 10.025 3.016 -10.170 1.00 0.00 O ATOM 0 H GLU A 72 7.093 4.526 -6.215 1.00 0.00 H new ATOM 0 HA GLU A 72 6.404 1.921 -7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.982 3.439 -6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.017 1.775 -7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.786 2.325 -9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.395 3.928 -8.735 1.00 0.00 H new ATOM 1165 N PHE A 73 7.386 2.127 -4.199 1.00 0.00 N ATOM 1166 CA PHE A 73 7.566 1.329 -2.949 1.00 0.00 C ATOM 1167 C PHE A 73 6.225 0.715 -2.529 1.00 0.00 C ATOM 1168 O PHE A 73 6.173 -0.430 -2.130 1.00 0.00 O ATOM 1169 CB PHE A 73 8.136 2.222 -1.837 1.00 0.00 C ATOM 1170 CG PHE A 73 8.075 1.512 -0.498 1.00 0.00 C ATOM 1171 CD1 PHE A 73 8.697 0.267 -0.332 1.00 0.00 C ATOM 1172 CD2 PHE A 73 7.404 2.105 0.582 1.00 0.00 C ATOM 1173 CE1 PHE A 73 8.647 -0.382 0.907 1.00 0.00 C ATOM 1174 CE2 PHE A 73 7.356 1.455 1.821 1.00 0.00 C ATOM 1175 CZ PHE A 73 7.978 0.212 1.984 1.00 0.00 C ATOM 0 H PHE A 73 7.347 3.137 -4.062 1.00 0.00 H new ATOM 0 HA PHE A 73 8.272 0.519 -3.131 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.168 2.486 -2.068 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.573 3.154 -1.787 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.215 -0.192 -1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.924 3.064 0.457 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.125 -1.342 1.032 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.839 1.913 2.651 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.942 -0.289 2.940 1.00 0.00 H new ATOM 1185 N MET A 74 5.142 1.427 -2.616 1.00 0.00 N ATOM 1186 CA MET A 74 3.848 0.800 -2.216 1.00 0.00 C ATOM 1187 C MET A 74 3.515 -0.318 -3.208 1.00 0.00 C ATOM 1188 O MET A 74 2.854 -1.274 -2.854 1.00 0.00 O ATOM 1189 CB MET A 74 2.729 1.842 -2.206 1.00 0.00 C ATOM 1190 CG MET A 74 1.514 1.276 -1.466 1.00 0.00 C ATOM 1191 SD MET A 74 1.862 1.211 0.315 1.00 0.00 S ATOM 1192 CE MET A 74 1.764 -0.587 0.542 1.00 0.00 C ATOM 0 H MET A 74 5.090 2.393 -2.938 1.00 0.00 H new ATOM 0 HA MET A 74 3.939 0.389 -1.210 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.072 2.755 -1.720 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.455 2.108 -3.227 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.639 1.898 -1.653 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.281 0.278 -1.838 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.456 -0.808 1.564 1.00 0.00 H new ATOM 0 HE2 MET A 74 1.036 -1.003 -0.155 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.741 -1.031 0.354 1.00 0.00 H new ATOM 1202 N ALA A 75 3.969 -0.248 -4.426 1.00 0.00 N ATOM 1203 CA ALA A 75 3.676 -1.349 -5.392 1.00 0.00 C ATOM 1204 C ALA A 75 4.580 -2.558 -5.110 1.00 0.00 C ATOM 1205 O ALA A 75 4.105 -3.667 -4.968 1.00 0.00 O ATOM 1206 CB ALA A 75 3.931 -0.850 -6.816 1.00 0.00 C ATOM 0 H ALA A 75 4.529 0.520 -4.797 1.00 0.00 H new ATOM 0 HA ALA A 75 2.634 -1.651 -5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.719 -1.650 -7.525 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.283 0.001 -7.025 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.973 -0.546 -6.914 1.00 0.00 H new ATOM 1212 N PHE A 76 5.871 -2.373 -5.036 1.00 0.00 N ATOM 1213 CA PHE A 76 6.765 -3.543 -4.774 1.00 0.00 C ATOM 1214 C PHE A 76 6.385 -4.192 -3.437 1.00 0.00 C ATOM 1215 O PHE A 76 6.470 -5.393 -3.275 1.00 0.00 O ATOM 1216 CB PHE A 76 8.237 -3.085 -4.739 1.00 0.00 C ATOM 1217 CG PHE A 76 8.803 -3.039 -6.147 1.00 0.00 C ATOM 1218 CD1 PHE A 76 8.873 -4.212 -6.912 1.00 0.00 C ATOM 1219 CD2 PHE A 76 9.253 -1.826 -6.688 1.00 0.00 C ATOM 1220 CE1 PHE A 76 9.388 -4.171 -8.211 1.00 0.00 C ATOM 1221 CE2 PHE A 76 9.771 -1.788 -7.988 1.00 0.00 C ATOM 1222 CZ PHE A 76 9.838 -2.959 -8.750 1.00 0.00 C ATOM 0 H PHE A 76 6.343 -1.475 -5.144 1.00 0.00 H new ATOM 0 HA PHE A 76 6.644 -4.273 -5.574 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.309 -2.100 -4.278 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.824 -3.768 -4.125 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.529 -5.148 -6.497 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.200 -0.921 -6.101 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.439 -5.075 -8.800 1.00 0.00 H new ATOM 0 HE2 PHE A 76 10.119 -0.854 -8.403 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.236 -2.929 -9.753 1.00 0.00 H new ATOM 1232 N VAL A 77 5.959 -3.414 -2.485 1.00 0.00 N ATOM 1233 CA VAL A 77 5.567 -4.002 -1.171 1.00 0.00 C ATOM 1234 C VAL A 77 4.364 -4.931 -1.379 1.00 0.00 C ATOM 1235 O VAL A 77 4.217 -5.931 -0.704 1.00 0.00 O ATOM 1236 CB VAL A 77 5.194 -2.876 -0.197 1.00 0.00 C ATOM 1237 CG1 VAL A 77 4.507 -3.459 1.044 1.00 0.00 C ATOM 1238 CG2 VAL A 77 6.462 -2.131 0.232 1.00 0.00 C ATOM 0 H VAL A 77 5.864 -2.401 -2.556 1.00 0.00 H new ATOM 0 HA VAL A 77 6.399 -4.570 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 77 4.511 -2.188 -0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.247 -2.652 1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.602 -3.987 0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.184 -4.153 1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.198 -1.331 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.143 -2.825 0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.949 -1.706 -0.646 1.00 0.00 H new ATOM 1248 N SER A 78 3.503 -4.606 -2.302 1.00 0.00 N ATOM 1249 CA SER A 78 2.308 -5.465 -2.546 1.00 0.00 C ATOM 1250 C SER A 78 2.730 -6.789 -3.194 1.00 0.00 C ATOM 1251 O SER A 78 2.367 -7.855 -2.739 1.00 0.00 O ATOM 1252 CB SER A 78 1.343 -4.732 -3.478 1.00 0.00 C ATOM 1253 OG SER A 78 1.856 -4.766 -4.804 1.00 0.00 O ATOM 0 H SER A 78 3.574 -3.782 -2.899 1.00 0.00 H new ATOM 0 HA SER A 78 1.820 -5.675 -1.594 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.359 -5.200 -3.444 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.216 -3.700 -3.151 1.00 0.00 H new ATOM 0 HG SER A 78 2.500 -4.037 -4.924 1.00 0.00 H new ATOM 1259 N MET A 79 3.467 -6.728 -4.267 1.00 0.00 N ATOM 1260 CA MET A 79 3.883 -7.980 -4.965 1.00 0.00 C ATOM 1261 C MET A 79 4.494 -8.978 -3.979 1.00 0.00 C ATOM 1262 O MET A 79 4.279 -10.168 -4.085 1.00 0.00 O ATOM 1263 CB MET A 79 4.916 -7.640 -6.041 1.00 0.00 C ATOM 1264 CG MET A 79 4.238 -6.872 -7.177 1.00 0.00 C ATOM 1265 SD MET A 79 5.465 -6.454 -8.441 1.00 0.00 S ATOM 1266 CE MET A 79 5.388 -8.012 -9.358 1.00 0.00 C ATOM 0 H MET A 79 3.801 -5.864 -4.693 1.00 0.00 H new ATOM 0 HA MET A 79 3.001 -8.433 -5.418 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.719 -7.041 -5.612 1.00 0.00 H new ATOM 0 HB3 MET A 79 5.370 -8.553 -6.426 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.442 -7.475 -7.613 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.775 -5.964 -6.791 1.00 0.00 H new ATOM 0 HE1 MET A 79 6.026 -7.948 -10.239 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.731 -8.827 -8.720 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.360 -8.201 -9.668 1.00 0.00 H new ATOM 1276 N VAL A 80 5.255 -8.517 -3.029 1.00 0.00 N ATOM 1277 CA VAL A 80 5.873 -9.467 -2.056 1.00 0.00 C ATOM 1278 C VAL A 80 4.807 -9.986 -1.087 1.00 0.00 C ATOM 1279 O VAL A 80 4.674 -11.177 -0.885 1.00 0.00 O ATOM 1280 CB VAL A 80 6.973 -8.755 -1.262 1.00 0.00 C ATOM 1281 CG1 VAL A 80 7.681 -9.761 -0.352 1.00 0.00 C ATOM 1282 CG2 VAL A 80 7.993 -8.142 -2.226 1.00 0.00 C ATOM 0 H VAL A 80 5.477 -7.532 -2.881 1.00 0.00 H new ATOM 0 HA VAL A 80 6.304 -10.304 -2.605 1.00 0.00 H new ATOM 0 HB VAL A 80 6.524 -7.966 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.463 -9.253 0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.960 -10.197 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.125 -10.550 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.773 -7.637 -1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.439 -8.930 -2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.494 -7.423 -2.875 1.00 0.00 H new ATOM 1292 N THR A 81 4.038 -9.116 -0.495 1.00 0.00 N ATOM 1293 CA THR A 81 2.982 -9.591 0.443 1.00 0.00 C ATOM 1294 C THR A 81 2.018 -10.502 -0.322 1.00 0.00 C ATOM 1295 O THR A 81 1.594 -11.530 0.167 1.00 0.00 O ATOM 1296 CB THR A 81 2.213 -8.393 1.003 1.00 0.00 C ATOM 1297 OG1 THR A 81 3.133 -7.448 1.532 1.00 0.00 O ATOM 1298 CG2 THR A 81 1.268 -8.864 2.110 1.00 0.00 C ATOM 0 H THR A 81 4.093 -8.105 -0.618 1.00 0.00 H new ATOM 0 HA THR A 81 3.440 -10.138 1.267 1.00 0.00 H new ATOM 0 HB THR A 81 1.632 -7.928 0.207 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.470 -6.879 0.809 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.720 -8.010 2.509 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.563 -9.589 1.703 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.846 -9.329 2.908 1.00 0.00 H new ATOM 1306 N THR A 82 1.675 -10.125 -1.522 1.00 0.00 N ATOM 1307 CA THR A 82 0.744 -10.954 -2.338 1.00 0.00 C ATOM 1308 C THR A 82 1.465 -12.211 -2.832 1.00 0.00 C ATOM 1309 O THR A 82 0.844 -13.198 -3.174 1.00 0.00 O ATOM 1310 CB THR A 82 0.256 -10.139 -3.537 1.00 0.00 C ATOM 1311 OG1 THR A 82 1.375 -9.608 -4.232 1.00 0.00 O ATOM 1312 CG2 THR A 82 -0.635 -8.995 -3.048 1.00 0.00 C ATOM 0 H THR A 82 2.002 -9.272 -1.976 1.00 0.00 H new ATOM 0 HA THR A 82 -0.108 -11.248 -1.725 1.00 0.00 H new ATOM 0 HB THR A 82 -0.316 -10.781 -4.207 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.663 -8.776 -3.802 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.983 -8.414 -3.902 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.493 -9.404 -2.514 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.065 -8.350 -2.379 1.00 0.00 H new ATOM 1320 N ALA A 83 2.772 -12.189 -2.872 1.00 0.00 N ATOM 1321 CA ALA A 83 3.519 -13.392 -3.342 1.00 0.00 C ATOM 1322 C ALA A 83 3.122 -14.592 -2.485 1.00 0.00 C ATOM 1323 O ALA A 83 3.181 -15.726 -2.916 1.00 0.00 O ATOM 1324 CB ALA A 83 5.025 -13.153 -3.206 1.00 0.00 C ATOM 0 H ALA A 83 3.351 -11.394 -2.601 1.00 0.00 H new ATOM 0 HA ALA A 83 3.277 -13.583 -4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.566 -14.034 -3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.313 -12.292 -3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.270 -12.962 -2.161 1.00 0.00 H new ATOM 1330 N CYS A 84 2.717 -14.347 -1.271 1.00 0.00 N ATOM 1331 CA CYS A 84 2.314 -15.470 -0.379 1.00 0.00 C ATOM 1332 C CYS A 84 0.956 -16.015 -0.829 1.00 0.00 C ATOM 1333 O CYS A 84 0.136 -15.299 -1.369 1.00 0.00 O ATOM 1334 CB CYS A 84 2.208 -14.964 1.061 1.00 0.00 C ATOM 1335 SG CYS A 84 0.763 -13.885 1.217 1.00 0.00 S ATOM 0 H CYS A 84 2.647 -13.417 -0.857 1.00 0.00 H new ATOM 0 HA CYS A 84 3.060 -16.263 -0.432 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.122 -15.806 1.748 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.112 -14.420 1.334 1.00 0.00 H new ATOM 0 HG CYS A 84 1.088 -12.673 0.879 1.00 0.00 H new ATOM 1341 N HIS A 85 0.715 -17.280 -0.615 1.00 0.00 N ATOM 1342 CA HIS A 85 -0.586 -17.876 -1.032 1.00 0.00 C ATOM 1343 C HIS A 85 -1.737 -16.984 -0.562 1.00 0.00 C ATOM 1344 O HIS A 85 -1.538 -16.015 0.143 1.00 0.00 O ATOM 1345 CB HIS A 85 -0.733 -19.265 -0.408 1.00 0.00 C ATOM 1346 CG HIS A 85 -0.659 -19.150 1.090 1.00 0.00 C ATOM 1347 ND1 HIS A 85 0.100 -18.176 1.720 1.00 0.00 N ATOM 1348 CD2 HIS A 85 -1.245 -19.877 2.096 1.00 0.00 C ATOM 1349 CE1 HIS A 85 -0.048 -18.342 3.047 1.00 0.00 C ATOM 1350 NE2 HIS A 85 -0.858 -19.365 3.331 1.00 0.00 N ATOM 0 H HIS A 85 1.364 -17.928 -0.168 1.00 0.00 H new ATOM 0 HA HIS A 85 -0.613 -17.958 -2.119 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -1.683 -19.710 -0.703 1.00 0.00 H new ATOM 0 HB3 HIS A 85 0.054 -19.925 -0.772 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -1.906 -20.719 1.951 1.00 0.00 H new ATOM 0 HE1 HIS A 85 0.430 -17.723 3.792 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -1.134 -19.699 4.254 1.00 0.00 H new ATOM 1358 N GLU A 86 -2.943 -17.306 -0.947 1.00 0.00 N ATOM 1359 CA GLU A 86 -4.111 -16.481 -0.523 1.00 0.00 C ATOM 1360 C GLU A 86 -4.025 -16.214 0.984 1.00 0.00 C ATOM 1361 O GLU A 86 -4.374 -17.051 1.792 1.00 0.00 O ATOM 1362 CB GLU A 86 -5.408 -17.236 -0.846 1.00 0.00 C ATOM 1363 CG GLU A 86 -5.208 -18.734 -0.586 1.00 0.00 C ATOM 1364 CD GLU A 86 -6.570 -19.426 -0.495 1.00 0.00 C ATOM 1365 OE1 GLU A 86 -7.505 -18.937 -1.107 1.00 0.00 O ATOM 1366 OE2 GLU A 86 -6.655 -20.435 0.187 1.00 0.00 O ATOM 0 H GLU A 86 -3.170 -18.106 -1.538 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.105 -15.530 -1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.225 -16.856 -0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.687 -17.071 -1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.617 -19.177 -1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.651 -18.882 0.339 1.00 0.00 H new ATOM 1373 N PHE A 87 -3.562 -15.057 1.369 1.00 0.00 N ATOM 1374 CA PHE A 87 -3.456 -14.752 2.822 1.00 0.00 C ATOM 1375 C PHE A 87 -4.856 -14.711 3.440 1.00 0.00 C ATOM 1376 O PHE A 87 -5.026 -14.930 4.624 1.00 0.00 O ATOM 1377 CB PHE A 87 -2.750 -13.408 3.028 1.00 0.00 C ATOM 1378 CG PHE A 87 -3.500 -12.308 2.311 1.00 0.00 C ATOM 1379 CD1 PHE A 87 -4.656 -11.764 2.882 1.00 0.00 C ATOM 1380 CD2 PHE A 87 -3.032 -11.826 1.082 1.00 0.00 C ATOM 1381 CE1 PHE A 87 -5.344 -10.737 2.224 1.00 0.00 C ATOM 1382 CE2 PHE A 87 -3.721 -10.800 0.425 1.00 0.00 C ATOM 1383 CZ PHE A 87 -4.876 -10.256 0.996 1.00 0.00 C ATOM 0 H PHE A 87 -3.254 -14.313 0.743 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.871 -15.531 3.310 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.687 -13.181 4.092 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.728 -13.465 2.654 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.017 -12.136 3.829 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.140 -12.246 0.641 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.236 -10.316 2.664 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.361 -10.428 -0.523 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.407 -9.464 0.489 1.00 0.00 H new ATOM 1393 N PHE A 88 -5.864 -14.444 2.653 1.00 0.00 N ATOM 1394 CA PHE A 88 -7.247 -14.405 3.211 1.00 0.00 C ATOM 1395 C PHE A 88 -7.517 -15.709 3.964 1.00 0.00 C ATOM 1396 O PHE A 88 -8.098 -15.716 5.031 1.00 0.00 O ATOM 1397 CB PHE A 88 -8.265 -14.260 2.077 1.00 0.00 C ATOM 1398 CG PHE A 88 -7.815 -13.187 1.116 1.00 0.00 C ATOM 1399 CD1 PHE A 88 -8.072 -11.840 1.399 1.00 0.00 C ATOM 1400 CD2 PHE A 88 -7.149 -13.539 -0.064 1.00 0.00 C ATOM 1401 CE1 PHE A 88 -7.661 -10.846 0.503 1.00 0.00 C ATOM 1402 CE2 PHE A 88 -6.740 -12.546 -0.961 1.00 0.00 C ATOM 1403 CZ PHE A 88 -6.996 -11.199 -0.678 1.00 0.00 C ATOM 0 H PHE A 88 -5.791 -14.252 1.654 1.00 0.00 H new ATOM 0 HA PHE A 88 -7.340 -13.555 3.887 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.374 -15.209 1.551 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -9.244 -14.007 2.485 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.587 -11.568 2.308 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.951 -14.578 -0.282 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -7.857 -9.807 0.722 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.227 -12.819 -1.871 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.681 -10.432 -1.370 1.00 0.00 H new ATOM 1413 N GLU A 89 -7.098 -16.812 3.402 1.00 0.00 N ATOM 1414 CA GLU A 89 -7.320 -18.136 4.056 1.00 0.00 C ATOM 1415 C GLU A 89 -6.017 -18.615 4.696 1.00 0.00 C ATOM 1416 O GLU A 89 -5.541 -19.698 4.423 1.00 0.00 O ATOM 1417 CB GLU A 89 -7.767 -19.149 3.000 1.00 0.00 C ATOM 1418 CG GLU A 89 -8.888 -18.542 2.154 1.00 0.00 C ATOM 1419 CD GLU A 89 -9.408 -19.590 1.168 1.00 0.00 C ATOM 1420 OE1 GLU A 89 -9.002 -20.735 1.282 1.00 0.00 O ATOM 1421 OE2 GLU A 89 -10.205 -19.230 0.317 1.00 0.00 O ATOM 0 H GLU A 89 -6.607 -16.853 2.509 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.087 -18.040 4.824 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.925 -19.424 2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.114 -20.063 3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.698 -18.199 2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.519 -17.670 1.614 1.00 0.00 H new ATOM 1428 N HIS A 90 -5.437 -17.817 5.549 1.00 0.00 N ATOM 1429 CA HIS A 90 -4.168 -18.232 6.208 1.00 0.00 C ATOM 1430 C HIS A 90 -4.444 -19.414 7.139 1.00 0.00 C ATOM 1431 O HIS A 90 -4.351 -19.301 8.345 1.00 0.00 O ATOM 1432 CB HIS A 90 -3.606 -17.062 7.019 1.00 0.00 C ATOM 1433 CG HIS A 90 -2.221 -17.404 7.494 1.00 0.00 C ATOM 1434 ND1 HIS A 90 -1.840 -17.266 8.819 1.00 0.00 N ATOM 1435 CD2 HIS A 90 -1.116 -17.881 6.834 1.00 0.00 C ATOM 1436 CE1 HIS A 90 -0.555 -17.653 8.914 1.00 0.00 C ATOM 1437 NE2 HIS A 90 -0.065 -18.037 7.732 1.00 0.00 N ATOM 0 H HIS A 90 -5.786 -16.897 5.818 1.00 0.00 H new ATOM 0 HA HIS A 90 -3.443 -18.527 5.450 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -3.580 -16.160 6.407 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -4.253 -16.851 7.871 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -1.070 -18.102 5.778 1.00 0.00 H new ATOM 0 HE1 HIS A 90 0.011 -17.653 9.834 1.00 0.00 H new ATOM 0 HE2 HIS A 90 0.877 -18.372 7.531 1.00 0.00 H new ATOM 1445 N GLU A 91 -4.783 -20.547 6.589 1.00 0.00 N ATOM 1446 CA GLU A 91 -5.067 -21.735 7.443 1.00 0.00 C ATOM 1447 C GLU A 91 -3.775 -22.196 8.121 1.00 0.00 C ATOM 1448 O GLU A 91 -3.618 -23.393 8.299 1.00 0.00 O ATOM 1449 CB GLU A 91 -5.619 -22.866 6.573 1.00 0.00 C ATOM 1450 CG GLU A 91 -6.986 -22.462 6.018 1.00 0.00 C ATOM 1451 CD GLU A 91 -8.011 -22.436 7.153 1.00 0.00 C ATOM 1452 OE1 GLU A 91 -8.356 -23.501 7.638 1.00 0.00 O ATOM 1453 OE2 GLU A 91 -8.434 -21.351 7.517 1.00 0.00 O ATOM 1454 OXT GLU A 91 -2.966 -21.345 8.451 1.00 0.00 O ATOM 0 H GLU A 91 -4.876 -20.702 5.585 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.801 -21.470 8.204 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.931 -23.079 5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.709 -23.780 7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.924 -21.481 5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.300 -23.166 5.247 1.00 0.00 H new TER 1461 GLU A 91 ATOM 1462 N MET B 0 9.404 -7.723 14.207 1.00 0.00 N ATOM 1463 CA MET B 0 8.101 -7.273 14.773 1.00 0.00 C ATOM 1464 C MET B 0 8.136 -5.760 15.002 1.00 0.00 C ATOM 1465 O MET B 0 7.760 -5.274 16.051 1.00 0.00 O ATOM 1466 CB MET B 0 7.847 -7.987 16.102 1.00 0.00 C ATOM 1467 CG MET B 0 9.115 -7.947 16.957 1.00 0.00 C ATOM 1468 SD MET B 0 8.709 -8.405 18.660 1.00 0.00 S ATOM 1469 CE MET B 0 10.184 -7.705 19.440 1.00 0.00 C ATOM 0 H1 MET B 0 9.443 -8.762 14.210 1.00 0.00 H new ATOM 0 H2 MET B 0 9.497 -7.376 13.231 1.00 0.00 H new ATOM 0 H3 MET B 0 10.182 -7.346 14.785 1.00 0.00 H new ATOM 0 HA MET B 0 7.300 -7.514 14.074 1.00 0.00 H new ATOM 0 HB2 MET B 0 7.024 -7.508 16.632 1.00 0.00 H new ATOM 0 HB3 MET B 0 7.551 -9.020 15.920 1.00 0.00 H new ATOM 0 HG2 MET B 0 9.861 -8.632 16.553 1.00 0.00 H new ATOM 0 HG3 MET B 0 9.552 -6.949 16.932 1.00 0.00 H new ATOM 0 HE1 MET B 0 10.143 -7.876 20.516 1.00 0.00 H new ATOM 0 HE2 MET B 0 11.074 -8.183 19.030 1.00 0.00 H new ATOM 0 HE3 MET B 0 10.225 -6.633 19.245 1.00 0.00 H new ATOM 1481 N SER B 1 8.581 -5.010 14.030 1.00 0.00 N ATOM 1482 CA SER B 1 8.633 -3.530 14.198 1.00 0.00 C ATOM 1483 C SER B 1 7.208 -2.977 14.242 1.00 0.00 C ATOM 1484 O SER B 1 6.253 -3.676 13.967 1.00 0.00 O ATOM 1485 CB SER B 1 9.387 -2.907 13.023 1.00 0.00 C ATOM 1486 OG SER B 1 8.553 -2.920 11.871 1.00 0.00 O ATOM 0 H SER B 1 8.910 -5.357 13.129 1.00 0.00 H new ATOM 0 HA SER B 1 9.149 -3.286 15.127 1.00 0.00 H new ATOM 0 HB2 SER B 1 9.679 -1.885 13.264 1.00 0.00 H new ATOM 0 HB3 SER B 1 10.304 -3.463 12.829 1.00 0.00 H new ATOM 0 HG SER B 1 9.109 -2.917 11.064 1.00 0.00 H new ATOM 1492 N GLU B 2 7.055 -1.727 14.589 1.00 0.00 N ATOM 1493 CA GLU B 2 5.688 -1.135 14.652 1.00 0.00 C ATOM 1494 C GLU B 2 5.004 -1.279 13.291 1.00 0.00 C ATOM 1495 O GLU B 2 3.807 -1.471 13.201 1.00 0.00 O ATOM 1496 CB GLU B 2 5.796 0.349 15.014 1.00 0.00 C ATOM 1497 CG GLU B 2 4.414 0.888 15.391 1.00 0.00 C ATOM 1498 CD GLU B 2 4.021 0.380 16.781 1.00 0.00 C ATOM 1499 OE1 GLU B 2 4.892 -0.110 17.481 1.00 0.00 O ATOM 1500 OE2 GLU B 2 2.855 0.490 17.122 1.00 0.00 O ATOM 0 H GLU B 2 7.816 -1.092 14.831 1.00 0.00 H new ATOM 0 HA GLU B 2 5.100 -1.655 15.409 1.00 0.00 H new ATOM 0 HB2 GLU B 2 6.488 0.481 15.846 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.199 0.911 14.171 1.00 0.00 H new ATOM 0 HG2 GLU B 2 4.424 1.978 15.381 1.00 0.00 H new ATOM 0 HG3 GLU B 2 3.676 0.569 14.655 1.00 0.00 H new ATOM 1507 N LEU B 3 5.756 -1.180 12.229 1.00 0.00 N ATOM 1508 CA LEU B 3 5.156 -1.300 10.870 1.00 0.00 C ATOM 1509 C LEU B 3 4.528 -2.690 10.702 1.00 0.00 C ATOM 1510 O LEU B 3 3.399 -2.821 10.274 1.00 0.00 O ATOM 1511 CB LEU B 3 6.254 -1.083 9.811 1.00 0.00 C ATOM 1512 CG LEU B 3 5.648 -0.518 8.518 1.00 0.00 C ATOM 1513 CD1 LEU B 3 6.760 -0.305 7.488 1.00 0.00 C ATOM 1514 CD2 LEU B 3 4.607 -1.499 7.956 1.00 0.00 C ATOM 0 H LEU B 3 6.763 -1.021 12.244 1.00 0.00 H new ATOM 0 HA LEU B 3 4.379 -0.546 10.743 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.009 -0.397 10.196 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.758 -2.027 9.602 1.00 0.00 H new ATOM 0 HG LEU B 3 5.161 0.433 8.734 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.333 0.096 6.569 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.493 0.398 7.884 1.00 0.00 H new ATOM 0 HD13 LEU B 3 7.247 -1.257 7.276 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.181 -1.092 7.039 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.086 -2.454 7.741 1.00 0.00 H new ATOM 0 HD23 LEU B 3 3.814 -1.648 8.689 1.00 0.00 H new ATOM 1526 N GLU B 4 5.242 -3.731 11.041 1.00 0.00 N ATOM 1527 CA GLU B 4 4.667 -5.100 10.896 1.00 0.00 C ATOM 1528 C GLU B 4 3.283 -5.135 11.544 1.00 0.00 C ATOM 1529 O GLU B 4 2.326 -5.624 10.977 1.00 0.00 O ATOM 1530 CB GLU B 4 5.582 -6.114 11.584 1.00 0.00 C ATOM 1531 CG GLU B 4 7.005 -5.965 11.040 1.00 0.00 C ATOM 1532 CD GLU B 4 7.875 -7.108 11.565 1.00 0.00 C ATOM 1533 OE1 GLU B 4 7.407 -8.234 11.555 1.00 0.00 O ATOM 1534 OE2 GLU B 4 8.994 -6.837 11.968 1.00 0.00 O ATOM 0 H GLU B 4 6.192 -3.693 11.410 1.00 0.00 H new ATOM 0 HA GLU B 4 4.582 -5.352 9.839 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.574 -5.954 12.662 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.218 -7.126 11.409 1.00 0.00 H new ATOM 0 HG2 GLU B 4 6.992 -5.975 9.950 1.00 0.00 H new ATOM 0 HG3 GLU B 4 7.424 -5.006 11.345 1.00 0.00 H new ATOM 1541 N LYS B 5 3.175 -4.600 12.728 1.00 0.00 N ATOM 1542 CA LYS B 5 1.862 -4.573 13.429 1.00 0.00 C ATOM 1543 C LYS B 5 0.792 -4.038 12.477 1.00 0.00 C ATOM 1544 O LYS B 5 -0.323 -4.520 12.429 1.00 0.00 O ATOM 1545 CB LYS B 5 1.962 -3.627 14.632 1.00 0.00 C ATOM 1546 CG LYS B 5 3.198 -3.972 15.471 1.00 0.00 C ATOM 1547 CD LYS B 5 3.168 -5.455 15.869 1.00 0.00 C ATOM 1548 CE LYS B 5 4.092 -5.683 17.069 1.00 0.00 C ATOM 1549 NZ LYS B 5 4.292 -7.145 17.274 1.00 0.00 N ATOM 0 H LYS B 5 3.947 -4.177 13.244 1.00 0.00 H new ATOM 0 HA LYS B 5 1.600 -5.579 13.757 1.00 0.00 H new ATOM 0 HB2 LYS B 5 2.022 -2.594 14.289 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.063 -3.707 15.244 1.00 0.00 H new ATOM 0 HG2 LYS B 5 4.104 -3.758 14.904 1.00 0.00 H new ATOM 0 HG3 LYS B 5 3.227 -3.348 16.364 1.00 0.00 H new ATOM 0 HD2 LYS B 5 2.150 -5.755 16.119 1.00 0.00 H new ATOM 0 HD3 LYS B 5 3.486 -6.074 15.030 1.00 0.00 H new ATOM 0 HE2 LYS B 5 5.052 -5.194 16.900 1.00 0.00 H new ATOM 0 HE3 LYS B 5 3.660 -5.236 17.964 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 4.920 -7.299 18.089 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 3.374 -7.599 17.454 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 4.723 -7.559 16.423 1.00 0.00 H new ATOM 1563 N ALA B 6 1.139 -3.029 11.725 1.00 0.00 N ATOM 1564 CA ALA B 6 0.178 -2.414 10.767 1.00 0.00 C ATOM 1565 C ALA B 6 0.070 -3.255 9.487 1.00 0.00 C ATOM 1566 O ALA B 6 -0.977 -3.322 8.875 1.00 0.00 O ATOM 1567 CB ALA B 6 0.668 -0.998 10.425 1.00 0.00 C ATOM 0 H ALA B 6 2.064 -2.598 11.735 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.811 -2.371 11.224 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -0.025 -0.533 9.724 1.00 0.00 H new ATOM 0 HB2 ALA B 6 0.719 -0.401 11.335 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.658 -1.055 9.973 1.00 0.00 H new ATOM 1573 N MET B 7 1.124 -3.902 9.074 1.00 0.00 N ATOM 1574 CA MET B 7 1.030 -4.728 7.836 1.00 0.00 C ATOM 1575 C MET B 7 -0.013 -5.831 8.070 1.00 0.00 C ATOM 1576 O MET B 7 -0.882 -6.069 7.253 1.00 0.00 O ATOM 1577 CB MET B 7 2.412 -5.342 7.522 1.00 0.00 C ATOM 1578 CG MET B 7 2.636 -5.424 6.004 1.00 0.00 C ATOM 1579 SD MET B 7 1.129 -6.015 5.187 1.00 0.00 S ATOM 1580 CE MET B 7 1.273 -5.023 3.678 1.00 0.00 C ATOM 0 H MET B 7 2.035 -3.896 9.532 1.00 0.00 H new ATOM 0 HA MET B 7 0.726 -4.116 6.987 1.00 0.00 H new ATOM 0 HB2 MET B 7 3.196 -4.738 7.979 1.00 0.00 H new ATOM 0 HB3 MET B 7 2.481 -6.338 7.959 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.910 -4.443 5.615 1.00 0.00 H new ATOM 0 HG3 MET B 7 3.466 -6.097 5.786 1.00 0.00 H new ATOM 0 HE1 MET B 7 0.430 -5.236 3.021 1.00 0.00 H new ATOM 0 HE2 MET B 7 1.273 -3.964 3.937 1.00 0.00 H new ATOM 0 HE3 MET B 7 2.203 -5.271 3.167 1.00 0.00 H new ATOM 1590 N VAL B 8 0.067 -6.490 9.193 1.00 0.00 N ATOM 1591 CA VAL B 8 -0.911 -7.568 9.515 1.00 0.00 C ATOM 1592 C VAL B 8 -2.288 -6.949 9.778 1.00 0.00 C ATOM 1593 O VAL B 8 -3.308 -7.502 9.416 1.00 0.00 O ATOM 1594 CB VAL B 8 -0.439 -8.307 10.767 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -1.318 -9.538 10.995 1.00 0.00 C ATOM 1596 CG2 VAL B 8 1.015 -8.749 10.576 1.00 0.00 C ATOM 0 H VAL B 8 0.775 -6.326 9.909 1.00 0.00 H new ATOM 0 HA VAL B 8 -0.983 -8.263 8.678 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.511 -7.645 11.630 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.981 -10.065 11.888 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.354 -9.226 11.127 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -1.246 -10.201 10.133 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.355 -9.276 11.467 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.083 -9.412 9.714 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.643 -7.873 10.411 1.00 0.00 H new ATOM 1606 N ALA B 9 -2.323 -5.801 10.398 1.00 0.00 N ATOM 1607 CA ALA B 9 -3.629 -5.136 10.680 1.00 0.00 C ATOM 1608 C ALA B 9 -4.375 -4.907 9.365 1.00 0.00 C ATOM 1609 O ALA B 9 -5.546 -5.206 9.236 1.00 0.00 O ATOM 1610 CB ALA B 9 -3.360 -3.781 11.339 1.00 0.00 C ATOM 0 H ALA B 9 -1.501 -5.292 10.723 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.229 -5.764 11.339 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.307 -3.285 11.550 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.814 -3.931 12.270 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.767 -3.161 10.667 1.00 0.00 H new ATOM 1616 N LEU B 10 -3.699 -4.363 8.396 1.00 0.00 N ATOM 1617 CA LEU B 10 -4.344 -4.085 7.084 1.00 0.00 C ATOM 1618 C LEU B 10 -5.048 -5.337 6.575 1.00 0.00 C ATOM 1619 O LEU B 10 -6.220 -5.333 6.259 1.00 0.00 O ATOM 1620 CB LEU B 10 -3.241 -3.709 6.074 1.00 0.00 C ATOM 1621 CG LEU B 10 -2.860 -2.221 6.217 1.00 0.00 C ATOM 1622 CD1 LEU B 10 -1.452 -1.997 5.658 1.00 0.00 C ATOM 1623 CD2 LEU B 10 -3.852 -1.337 5.439 1.00 0.00 C ATOM 0 H LEU B 10 -2.716 -4.096 8.457 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.068 -3.278 7.197 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.362 -4.333 6.238 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.587 -3.906 5.059 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.891 -1.953 7.273 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -1.183 -0.945 5.759 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -0.739 -2.609 6.211 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.430 -2.277 4.605 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.570 -0.290 5.549 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.831 -1.609 4.384 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.858 -1.485 5.832 1.00 0.00 H new ATOM 1635 N ILE B 11 -4.310 -6.402 6.473 1.00 0.00 N ATOM 1636 CA ILE B 11 -4.882 -7.670 5.957 1.00 0.00 C ATOM 1637 C ILE B 11 -6.114 -8.072 6.763 1.00 0.00 C ATOM 1638 O ILE B 11 -7.088 -8.548 6.214 1.00 0.00 O ATOM 1639 CB ILE B 11 -3.829 -8.775 6.063 1.00 0.00 C ATOM 1640 CG1 ILE B 11 -2.637 -8.428 5.165 1.00 0.00 C ATOM 1641 CG2 ILE B 11 -4.437 -10.108 5.617 1.00 0.00 C ATOM 1642 CD1 ILE B 11 -1.466 -9.361 5.482 1.00 0.00 C ATOM 0 H ILE B 11 -3.324 -6.448 6.728 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.175 -7.526 4.917 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.494 -8.860 7.097 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -2.919 -8.525 4.116 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.341 -7.391 5.321 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -3.686 -10.894 5.693 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.285 -10.353 6.257 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -4.774 -10.027 4.583 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.619 -9.112 4.842 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.179 -9.242 6.527 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -1.765 -10.394 5.303 1.00 0.00 H new ATOM 1654 N ASP B 12 -6.082 -7.924 8.060 1.00 0.00 N ATOM 1655 CA ASP B 12 -7.261 -8.349 8.865 1.00 0.00 C ATOM 1656 C ASP B 12 -8.442 -7.399 8.639 1.00 0.00 C ATOM 1657 O ASP B 12 -9.578 -7.828 8.603 1.00 0.00 O ATOM 1658 CB ASP B 12 -6.898 -8.404 10.349 1.00 0.00 C ATOM 1659 CG ASP B 12 -8.101 -8.910 11.149 1.00 0.00 C ATOM 1660 OD1 ASP B 12 -8.381 -10.095 11.074 1.00 0.00 O ATOM 1661 OD2 ASP B 12 -8.721 -8.103 11.822 1.00 0.00 O ATOM 0 H ASP B 12 -5.303 -7.533 8.590 1.00 0.00 H new ATOM 0 HA ASP B 12 -7.557 -9.346 8.540 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -6.043 -9.063 10.501 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -6.604 -7.415 10.700 1.00 0.00 H new ATOM 1666 N VAL B 13 -8.212 -6.116 8.486 1.00 0.00 N ATOM 1667 CA VAL B 13 -9.376 -5.208 8.266 1.00 0.00 C ATOM 1668 C VAL B 13 -9.957 -5.474 6.878 1.00 0.00 C ATOM 1669 O VAL B 13 -11.158 -5.557 6.714 1.00 0.00 O ATOM 1670 CB VAL B 13 -8.963 -3.742 8.404 1.00 0.00 C ATOM 1671 CG1 VAL B 13 -10.164 -2.842 8.101 1.00 0.00 C ATOM 1672 CG2 VAL B 13 -8.475 -3.481 9.832 1.00 0.00 C ATOM 0 H VAL B 13 -7.295 -5.670 8.503 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.133 -5.407 9.024 1.00 0.00 H new ATOM 0 HB VAL B 13 -8.160 -3.523 7.701 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -9.870 -1.797 8.199 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.510 -3.027 7.084 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -10.968 -3.060 8.803 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.181 -2.436 9.931 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.277 -3.700 10.536 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -7.619 -4.121 10.047 1.00 0.00 H new ATOM 1682 N PHE B 14 -9.137 -5.643 5.882 1.00 0.00 N ATOM 1683 CA PHE B 14 -9.693 -5.941 4.534 1.00 0.00 C ATOM 1684 C PHE B 14 -10.582 -7.180 4.654 1.00 0.00 C ATOM 1685 O PHE B 14 -11.566 -7.328 3.956 1.00 0.00 O ATOM 1686 CB PHE B 14 -8.559 -6.217 3.545 1.00 0.00 C ATOM 1687 CG PHE B 14 -9.148 -6.521 2.186 1.00 0.00 C ATOM 1688 CD1 PHE B 14 -9.593 -7.815 1.888 1.00 0.00 C ATOM 1689 CD2 PHE B 14 -9.252 -5.507 1.225 1.00 0.00 C ATOM 1690 CE1 PHE B 14 -10.141 -8.095 0.629 1.00 0.00 C ATOM 1691 CE2 PHE B 14 -9.799 -5.788 -0.033 1.00 0.00 C ATOM 1692 CZ PHE B 14 -10.244 -7.082 -0.331 1.00 0.00 C ATOM 0 H PHE B 14 -8.120 -5.589 5.939 1.00 0.00 H new ATOM 0 HA PHE B 14 -10.268 -5.090 4.170 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -7.897 -5.354 3.483 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -7.956 -7.057 3.890 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -9.514 -8.597 2.629 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -8.910 -4.509 1.454 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -10.484 -9.093 0.399 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -9.878 -5.006 -0.774 1.00 0.00 H new ATOM 0 HZ PHE B 14 -10.666 -7.298 -1.301 1.00 0.00 H new ATOM 1702 N HIS B 15 -10.238 -8.069 5.548 1.00 0.00 N ATOM 1703 CA HIS B 15 -11.051 -9.303 5.733 1.00 0.00 C ATOM 1704 C HIS B 15 -12.313 -8.980 6.541 1.00 0.00 C ATOM 1705 O HIS B 15 -13.351 -9.586 6.364 1.00 0.00 O ATOM 1706 CB HIS B 15 -10.222 -10.348 6.483 1.00 0.00 C ATOM 1707 CG HIS B 15 -11.019 -11.617 6.613 1.00 0.00 C ATOM 1708 ND1 HIS B 15 -11.043 -12.359 7.784 1.00 0.00 N ATOM 1709 CD2 HIS B 15 -11.828 -12.287 5.728 1.00 0.00 C ATOM 1710 CE1 HIS B 15 -11.843 -13.421 7.574 1.00 0.00 C ATOM 1711 NE2 HIS B 15 -12.347 -13.426 6.338 1.00 0.00 N ATOM 0 H HIS B 15 -9.425 -7.992 6.160 1.00 0.00 H new ATOM 0 HA HIS B 15 -11.340 -9.693 4.757 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -9.292 -10.543 5.949 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -9.950 -9.973 7.470 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -12.031 -11.977 4.713 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -12.052 -14.178 8.316 1.00 0.00 H new ATOM 0 HE2 HIS B 15 -12.977 -14.116 5.928 1.00 0.00 H new ATOM 1719 N GLN B 16 -12.217 -8.039 7.446 1.00 0.00 N ATOM 1720 CA GLN B 16 -13.393 -7.682 8.293 1.00 0.00 C ATOM 1721 C GLN B 16 -14.598 -7.359 7.411 1.00 0.00 C ATOM 1722 O GLN B 16 -15.699 -7.806 7.668 1.00 0.00 O ATOM 1723 CB GLN B 16 -13.048 -6.465 9.159 1.00 0.00 C ATOM 1724 CG GLN B 16 -14.207 -6.153 10.118 1.00 0.00 C ATOM 1725 CD GLN B 16 -15.296 -5.363 9.384 1.00 0.00 C ATOM 1726 OE1 GLN B 16 -16.292 -5.920 8.968 1.00 0.00 O ATOM 1727 NE2 GLN B 16 -15.148 -4.077 9.212 1.00 0.00 N ATOM 0 H GLN B 16 -11.371 -7.501 7.635 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.641 -8.528 8.934 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.138 -6.659 9.727 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -12.849 -5.602 8.524 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -14.622 -7.080 10.513 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -13.841 -5.579 10.969 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -14.312 -3.609 9.561 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -15.869 -3.541 8.729 1.00 0.00 H new ATOM 1736 N TYR B 17 -14.412 -6.584 6.378 1.00 0.00 N ATOM 1737 CA TYR B 17 -15.562 -6.239 5.497 1.00 0.00 C ATOM 1738 C TYR B 17 -15.954 -7.461 4.670 1.00 0.00 C ATOM 1739 O TYR B 17 -17.115 -7.806 4.569 1.00 0.00 O ATOM 1740 CB TYR B 17 -15.167 -5.090 4.566 1.00 0.00 C ATOM 1741 CG TYR B 17 -15.080 -3.809 5.365 1.00 0.00 C ATOM 1742 CD1 TYR B 17 -14.028 -3.620 6.269 1.00 0.00 C ATOM 1743 CD2 TYR B 17 -16.054 -2.813 5.206 1.00 0.00 C ATOM 1744 CE1 TYR B 17 -13.948 -2.438 7.014 1.00 0.00 C ATOM 1745 CE2 TYR B 17 -15.973 -1.631 5.952 1.00 0.00 C ATOM 1746 CZ TYR B 17 -14.921 -1.443 6.856 1.00 0.00 C ATOM 1747 OH TYR B 17 -14.842 -0.276 7.590 1.00 0.00 O ATOM 0 H TYR B 17 -13.517 -6.176 6.107 1.00 0.00 H new ATOM 0 HA TYR B 17 -16.410 -5.931 6.109 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -14.209 -5.303 4.093 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -15.901 -4.985 3.767 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -13.278 -4.387 6.392 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -16.866 -2.957 4.509 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.136 -2.293 7.711 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -16.723 -0.864 5.830 1.00 0.00 H new ATOM 0 HH TYR B 17 -15.595 0.308 7.359 1.00 0.00 H new ATOM 1757 N SER B 18 -14.994 -8.120 4.074 1.00 0.00 N ATOM 1758 CA SER B 18 -15.304 -9.325 3.247 1.00 0.00 C ATOM 1759 C SER B 18 -15.044 -10.596 4.062 1.00 0.00 C ATOM 1760 O SER B 18 -14.246 -11.428 3.676 1.00 0.00 O ATOM 1761 CB SER B 18 -14.406 -9.328 2.010 1.00 0.00 C ATOM 1762 OG SER B 18 -14.627 -8.135 1.267 1.00 0.00 O ATOM 0 H SER B 18 -14.005 -7.875 4.125 1.00 0.00 H new ATOM 0 HA SER B 18 -16.352 -9.298 2.947 1.00 0.00 H new ATOM 0 HB2 SER B 18 -13.359 -9.397 2.306 1.00 0.00 H new ATOM 0 HB3 SER B 18 -14.621 -10.200 1.392 1.00 0.00 H new ATOM 0 HG SER B 18 -14.052 -8.132 0.474 1.00 0.00 H new ATOM 1768 N GLY B 19 -15.723 -10.765 5.176 1.00 0.00 N ATOM 1769 CA GLY B 19 -15.536 -11.998 6.013 1.00 0.00 C ATOM 1770 C GLY B 19 -16.891 -12.693 6.166 1.00 0.00 C ATOM 1771 O GLY B 19 -16.971 -13.841 6.555 1.00 0.00 O ATOM 0 H GLY B 19 -16.402 -10.098 5.543 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -14.817 -12.669 5.543 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -15.133 -11.734 6.991 1.00 0.00 H new ATOM 1775 N ARG B 20 -17.956 -12.015 5.837 1.00 0.00 N ATOM 1776 CA ARG B 20 -19.305 -12.643 5.933 1.00 0.00 C ATOM 1777 C ARG B 20 -19.397 -13.783 4.919 1.00 0.00 C ATOM 1778 O ARG B 20 -20.106 -14.744 5.144 1.00 0.00 O ATOM 1779 CB ARG B 20 -20.399 -11.601 5.674 1.00 0.00 C ATOM 1780 CG ARG B 20 -21.744 -12.124 6.188 1.00 0.00 C ATOM 1781 CD ARG B 20 -22.818 -11.049 6.000 1.00 0.00 C ATOM 1782 NE ARG B 20 -24.012 -11.392 6.822 1.00 0.00 N ATOM 1783 CZ ARG B 20 -25.148 -10.785 6.610 1.00 0.00 C ATOM 1784 NH1 ARG B 20 -25.263 -9.508 6.855 1.00 0.00 N ATOM 1785 NH2 ARG B 20 -26.169 -11.456 6.150 1.00 0.00 N ATOM 0 H ARG B 20 -17.951 -11.051 5.505 1.00 0.00 H new ATOM 0 HA ARG B 20 -19.451 -13.041 6.937 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -20.148 -10.665 6.172 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -20.465 -11.387 4.607 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -22.023 -13.030 5.650 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -21.663 -12.392 7.242 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -22.428 -10.075 6.294 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -23.096 -10.977 4.948 1.00 0.00 H new ATOM 0 HE ARG B 20 -23.942 -12.102 7.551 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -24.465 -8.983 7.212 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -26.151 -9.035 6.689 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -26.078 -12.453 5.957 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -27.057 -10.983 5.984 1.00 0.00 H new ATOM 1799 N GLU B 21 -18.670 -13.731 3.831 1.00 0.00 N ATOM 1800 CA GLU B 21 -18.718 -14.877 2.866 1.00 0.00 C ATOM 1801 C GLU B 21 -17.343 -15.048 2.219 1.00 0.00 C ATOM 1802 O GLU B 21 -16.826 -16.144 2.130 1.00 0.00 O ATOM 1803 CB GLU B 21 -19.781 -14.615 1.790 1.00 0.00 C ATOM 1804 CG GLU B 21 -20.197 -15.941 1.138 1.00 0.00 C ATOM 1805 CD GLU B 21 -20.861 -15.669 -0.214 1.00 0.00 C ATOM 1806 OE1 GLU B 21 -21.308 -14.553 -0.419 1.00 0.00 O ATOM 1807 OE2 GLU B 21 -20.911 -16.582 -1.022 1.00 0.00 O ATOM 0 H GLU B 21 -18.055 -12.960 3.570 1.00 0.00 H new ATOM 0 HA GLU B 21 -18.983 -15.790 3.399 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -20.650 -14.129 2.234 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -19.387 -13.935 1.034 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -19.324 -16.580 1.003 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -20.886 -16.477 1.791 1.00 0.00 H new ATOM 1814 N GLY B 22 -16.739 -13.976 1.779 1.00 0.00 N ATOM 1815 CA GLY B 22 -15.389 -14.077 1.149 1.00 0.00 C ATOM 1816 C GLY B 22 -15.349 -15.257 0.177 1.00 0.00 C ATOM 1817 O GLY B 22 -14.291 -15.733 -0.184 1.00 0.00 O ATOM 0 H GLY B 22 -17.123 -13.032 1.829 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -15.156 -13.153 0.621 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -14.628 -14.204 1.919 1.00 0.00 H new ATOM 1821 N ASP B 23 -16.486 -15.732 -0.262 1.00 0.00 N ATOM 1822 CA ASP B 23 -16.483 -16.875 -1.222 1.00 0.00 C ATOM 1823 C ASP B 23 -15.504 -16.545 -2.353 1.00 0.00 C ATOM 1824 O ASP B 23 -14.575 -17.280 -2.618 1.00 0.00 O ATOM 1825 CB ASP B 23 -17.891 -17.074 -1.795 1.00 0.00 C ATOM 1826 CG ASP B 23 -17.846 -18.085 -2.944 1.00 0.00 C ATOM 1827 OD1 ASP B 23 -17.811 -19.271 -2.663 1.00 0.00 O ATOM 1828 OD2 ASP B 23 -17.847 -17.654 -4.085 1.00 0.00 O ATOM 0 H ASP B 23 -17.408 -15.382 -0.000 1.00 0.00 H new ATOM 0 HA ASP B 23 -16.180 -17.792 -0.717 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -18.565 -17.427 -1.014 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -18.286 -16.123 -2.151 1.00 0.00 H new ATOM 1833 N LYS B 24 -15.688 -15.423 -2.997 1.00 0.00 N ATOM 1834 CA LYS B 24 -14.748 -15.019 -4.083 1.00 0.00 C ATOM 1835 C LYS B 24 -13.632 -14.175 -3.459 1.00 0.00 C ATOM 1836 O LYS B 24 -13.771 -13.659 -2.368 1.00 0.00 O ATOM 1837 CB LYS B 24 -15.497 -14.185 -5.133 1.00 0.00 C ATOM 1838 CG LYS B 24 -16.292 -15.107 -6.069 1.00 0.00 C ATOM 1839 CD LYS B 24 -16.850 -14.301 -7.252 1.00 0.00 C ATOM 1840 CE LYS B 24 -18.058 -13.472 -6.804 1.00 0.00 C ATOM 1841 NZ LYS B 24 -18.713 -12.870 -7.999 1.00 0.00 N ATOM 0 H LYS B 24 -16.449 -14.768 -2.818 1.00 0.00 H new ATOM 0 HA LYS B 24 -14.331 -15.902 -4.567 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -16.172 -13.485 -4.640 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -14.788 -13.591 -5.710 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -15.650 -15.908 -6.435 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -17.109 -15.578 -5.522 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -16.077 -13.644 -7.651 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -17.141 -14.976 -8.057 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -18.766 -14.102 -6.266 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -17.741 -12.689 -6.116 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -19.534 -12.306 -7.698 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -18.035 -12.257 -8.495 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -19.028 -13.626 -8.640 1.00 0.00 H new ATOM 1855 N HIS B 25 -12.541 -14.008 -4.160 1.00 0.00 N ATOM 1856 CA HIS B 25 -11.412 -13.170 -3.644 1.00 0.00 C ATOM 1857 C HIS B 25 -11.331 -11.924 -4.523 1.00 0.00 C ATOM 1858 O HIS B 25 -10.268 -11.512 -4.944 1.00 0.00 O ATOM 1859 CB HIS B 25 -10.104 -13.957 -3.750 1.00 0.00 C ATOM 1860 CG HIS B 25 -9.888 -14.382 -5.176 1.00 0.00 C ATOM 1861 ND1 HIS B 25 -10.648 -15.375 -5.775 1.00 0.00 N ATOM 1862 CD2 HIS B 25 -9.002 -13.960 -6.136 1.00 0.00 C ATOM 1863 CE1 HIS B 25 -10.209 -15.515 -7.039 1.00 0.00 C ATOM 1864 NE2 HIS B 25 -9.206 -14.677 -7.311 1.00 0.00 N ATOM 0 H HIS B 25 -12.380 -14.420 -5.079 1.00 0.00 H new ATOM 0 HA HIS B 25 -11.574 -12.898 -2.601 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -9.269 -13.343 -3.412 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -10.140 -14.831 -3.100 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.259 -13.188 -6.000 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -10.618 -16.220 -7.748 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -8.698 -14.583 -8.191 1.00 0.00 H new ATOM 1872 N LYS B 26 -12.461 -11.322 -4.798 1.00 0.00 N ATOM 1873 CA LYS B 26 -12.491 -10.095 -5.647 1.00 0.00 C ATOM 1874 C LYS B 26 -13.394 -9.043 -4.996 1.00 0.00 C ATOM 1875 O LYS B 26 -14.321 -9.376 -4.284 1.00 0.00 O ATOM 1876 CB LYS B 26 -13.046 -10.453 -7.026 1.00 0.00 C ATOM 1877 CG LYS B 26 -12.097 -11.436 -7.715 1.00 0.00 C ATOM 1878 CD LYS B 26 -12.668 -11.834 -9.076 1.00 0.00 C ATOM 1879 CE LYS B 26 -11.641 -12.680 -9.830 1.00 0.00 C ATOM 1880 NZ LYS B 26 -12.103 -12.893 -11.231 1.00 0.00 N ATOM 0 H LYS B 26 -13.374 -11.633 -4.466 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.482 -9.695 -5.747 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -14.037 -10.895 -6.928 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -13.157 -9.553 -7.631 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -11.115 -10.981 -7.841 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -11.961 -12.321 -7.094 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -13.592 -12.396 -8.944 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.916 -10.943 -9.653 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -10.672 -12.182 -9.828 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -11.507 -13.639 -9.330 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -12.261 -13.908 -11.394 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -12.991 -12.375 -11.386 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -11.379 -12.545 -11.892 1.00 0.00 H new ATOM 1894 N LEU B 27 -13.137 -7.779 -5.236 1.00 0.00 N ATOM 1895 CA LEU B 27 -13.985 -6.694 -4.636 1.00 0.00 C ATOM 1896 C LEU B 27 -14.537 -5.834 -5.771 1.00 0.00 C ATOM 1897 O LEU B 27 -13.858 -5.572 -6.743 1.00 0.00 O ATOM 1898 CB LEU B 27 -13.124 -5.837 -3.701 1.00 0.00 C ATOM 1899 CG LEU B 27 -13.989 -4.782 -2.996 1.00 0.00 C ATOM 1900 CD1 LEU B 27 -15.025 -5.461 -2.076 1.00 0.00 C ATOM 1901 CD2 LEU B 27 -13.077 -3.874 -2.163 1.00 0.00 C ATOM 0 H LEU B 27 -12.372 -7.448 -5.825 1.00 0.00 H new ATOM 0 HA LEU B 27 -14.807 -7.124 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -12.637 -6.472 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -12.334 -5.348 -4.270 1.00 0.00 H new ATOM 0 HG LEU B 27 -14.523 -4.195 -3.743 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -15.630 -4.699 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -15.670 -6.108 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -14.508 -6.056 -1.323 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -13.679 -3.120 -1.657 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -12.547 -4.472 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -12.356 -3.384 -2.817 1.00 0.00 H new ATOM 1913 N LYS B 28 -15.770 -5.403 -5.674 1.00 0.00 N ATOM 1914 CA LYS B 28 -16.356 -4.574 -6.771 1.00 0.00 C ATOM 1915 C LYS B 28 -16.074 -3.091 -6.501 1.00 0.00 C ATOM 1916 O LYS B 28 -15.918 -2.680 -5.369 1.00 0.00 O ATOM 1917 CB LYS B 28 -17.867 -4.813 -6.830 1.00 0.00 C ATOM 1918 CG LYS B 28 -18.435 -4.229 -8.123 1.00 0.00 C ATOM 1919 CD LYS B 28 -19.902 -4.643 -8.267 1.00 0.00 C ATOM 1920 CE LYS B 28 -20.548 -3.860 -9.412 1.00 0.00 C ATOM 1921 NZ LYS B 28 -19.978 -4.318 -10.710 1.00 0.00 N ATOM 0 H LYS B 28 -16.393 -5.588 -4.888 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.907 -4.854 -7.724 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -18.077 -5.881 -6.780 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -18.351 -4.352 -5.969 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -18.352 -3.142 -8.111 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -17.860 -4.584 -8.978 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -19.971 -5.713 -8.461 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -20.437 -4.453 -7.336 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -21.628 -4.008 -9.404 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -20.372 -2.792 -9.282 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -20.498 -3.874 -11.494 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -18.975 -4.048 -10.763 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -20.063 -5.352 -10.781 1.00 0.00 H new ATOM 1935 N LYS B 29 -16.011 -2.284 -7.525 1.00 0.00 N ATOM 1936 CA LYS B 29 -15.743 -0.830 -7.323 1.00 0.00 C ATOM 1937 C LYS B 29 -16.865 -0.199 -6.487 1.00 0.00 C ATOM 1938 O LYS B 29 -16.630 0.647 -5.648 1.00 0.00 O ATOM 1939 CB LYS B 29 -15.686 -0.139 -8.696 1.00 0.00 C ATOM 1940 CG LYS B 29 -17.001 -0.380 -9.489 1.00 0.00 C ATOM 1941 CD LYS B 29 -17.896 0.867 -9.447 1.00 0.00 C ATOM 1942 CE LYS B 29 -19.165 0.606 -10.259 1.00 0.00 C ATOM 1943 NZ LYS B 29 -20.057 1.798 -10.183 1.00 0.00 N ATOM 0 H LYS B 29 -16.134 -2.569 -8.496 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.795 -0.706 -6.799 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -15.527 0.931 -8.563 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -14.838 -0.520 -9.265 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.767 -0.631 -10.524 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.535 -1.232 -9.067 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -18.154 1.109 -8.416 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.361 1.726 -9.852 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.908 0.396 -11.297 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -19.682 -0.273 -9.874 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -20.920 1.621 -10.735 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -20.311 1.979 -9.191 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -19.562 2.627 -10.570 1.00 0.00 H new ATOM 1957 N SER B 30 -18.082 -0.591 -6.733 1.00 0.00 N ATOM 1958 CA SER B 30 -19.235 -0.009 -5.986 1.00 0.00 C ATOM 1959 C SER B 30 -19.093 -0.245 -4.477 1.00 0.00 C ATOM 1960 O SER B 30 -19.373 0.627 -3.669 1.00 0.00 O ATOM 1961 CB SER B 30 -20.525 -0.671 -6.471 1.00 0.00 C ATOM 1962 OG SER B 30 -20.434 -2.075 -6.274 1.00 0.00 O ATOM 0 H SER B 30 -18.332 -1.296 -7.426 1.00 0.00 H new ATOM 0 HA SER B 30 -19.259 1.065 -6.168 1.00 0.00 H new ATOM 0 HB2 SER B 30 -21.380 -0.270 -5.927 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.687 -0.450 -7.526 1.00 0.00 H new ATOM 0 HG SER B 30 -21.260 -2.503 -6.582 1.00 0.00 H new ATOM 1968 N GLU B 31 -18.659 -1.415 -4.083 1.00 0.00 N ATOM 1969 CA GLU B 31 -18.520 -1.686 -2.621 1.00 0.00 C ATOM 1970 C GLU B 31 -17.217 -1.068 -2.119 1.00 0.00 C ATOM 1971 O GLU B 31 -17.134 -0.579 -1.010 1.00 0.00 O ATOM 1972 CB GLU B 31 -18.527 -3.194 -2.357 1.00 0.00 C ATOM 1973 CG GLU B 31 -19.871 -3.783 -2.789 1.00 0.00 C ATOM 1974 CD GLU B 31 -19.781 -5.310 -2.797 1.00 0.00 C ATOM 1975 OE1 GLU B 31 -18.673 -5.819 -2.754 1.00 0.00 O ATOM 1976 OE2 GLU B 31 -20.821 -5.945 -2.845 1.00 0.00 O ATOM 0 H GLU B 31 -18.398 -2.184 -4.700 1.00 0.00 H new ATOM 0 HA GLU B 31 -19.361 -1.242 -2.089 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -17.715 -3.673 -2.904 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -18.356 -3.389 -1.298 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -20.658 -3.458 -2.108 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -20.137 -3.419 -3.781 1.00 0.00 H new ATOM 1983 N LEU B 32 -16.202 -1.073 -2.939 1.00 0.00 N ATOM 1984 CA LEU B 32 -14.908 -0.471 -2.522 1.00 0.00 C ATOM 1985 C LEU B 32 -15.134 1.015 -2.245 1.00 0.00 C ATOM 1986 O LEU B 32 -14.651 1.549 -1.268 1.00 0.00 O ATOM 1987 CB LEU B 32 -13.870 -0.660 -3.636 1.00 0.00 C ATOM 1988 CG LEU B 32 -12.596 0.138 -3.328 1.00 0.00 C ATOM 1989 CD1 LEU B 32 -12.082 -0.215 -1.928 1.00 0.00 C ATOM 1990 CD2 LEU B 32 -11.525 -0.211 -4.366 1.00 0.00 C ATOM 0 H LEU B 32 -16.215 -1.468 -3.879 1.00 0.00 H new ATOM 0 HA LEU B 32 -14.535 -0.956 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -13.627 -1.718 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -14.288 -0.335 -4.589 1.00 0.00 H new ATOM 0 HG LEU B 32 -12.819 1.204 -3.366 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -11.178 0.356 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -12.845 0.028 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -11.858 -1.281 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -10.616 0.352 -4.154 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -11.309 -1.279 -4.321 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -11.887 0.045 -5.362 1.00 0.00 H new ATOM 2002 N LYS B 33 -15.849 1.698 -3.094 1.00 0.00 N ATOM 2003 CA LYS B 33 -16.068 3.147 -2.855 1.00 0.00 C ATOM 2004 C LYS B 33 -16.626 3.342 -1.446 1.00 0.00 C ATOM 2005 O LYS B 33 -16.087 4.088 -0.652 1.00 0.00 O ATOM 2006 CB LYS B 33 -17.059 3.692 -3.890 1.00 0.00 C ATOM 2007 CG LYS B 33 -16.348 3.872 -5.235 1.00 0.00 C ATOM 2008 CD LYS B 33 -17.383 4.092 -6.342 1.00 0.00 C ATOM 2009 CE LYS B 33 -18.318 5.243 -5.958 1.00 0.00 C ATOM 2010 NZ LYS B 33 -19.012 5.745 -7.178 1.00 0.00 N ATOM 0 H LYS B 33 -16.286 1.319 -3.934 1.00 0.00 H new ATOM 0 HA LYS B 33 -15.125 3.685 -2.949 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -17.899 3.007 -4.000 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -17.467 4.645 -3.552 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -15.667 4.722 -5.186 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -15.744 2.993 -5.458 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -16.880 4.318 -7.282 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -17.959 3.180 -6.500 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -19.049 4.903 -5.224 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -17.750 6.048 -5.492 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -19.370 6.706 -7.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -18.344 5.764 -7.974 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -19.807 5.116 -7.409 1.00 0.00 H new ATOM 2024 N GLU B 34 -17.715 2.692 -1.135 1.00 0.00 N ATOM 2025 CA GLU B 34 -18.314 2.865 0.225 1.00 0.00 C ATOM 2026 C GLU B 34 -17.215 2.743 1.294 1.00 0.00 C ATOM 2027 O GLU B 34 -17.256 3.412 2.308 1.00 0.00 O ATOM 2028 CB GLU B 34 -19.385 1.798 0.457 1.00 0.00 C ATOM 2029 CG GLU B 34 -20.459 1.909 -0.627 1.00 0.00 C ATOM 2030 CD GLU B 34 -21.215 3.229 -0.463 1.00 0.00 C ATOM 2031 OE1 GLU B 34 -22.007 3.324 0.459 1.00 0.00 O ATOM 2032 OE2 GLU B 34 -20.988 4.122 -1.263 1.00 0.00 O ATOM 0 H GLU B 34 -18.214 2.054 -1.755 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.772 3.852 0.294 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -18.935 0.805 0.438 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -19.833 1.926 1.442 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -20.000 1.861 -1.615 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -21.151 1.070 -0.555 1.00 0.00 H new ATOM 2039 N LEU B 35 -16.230 1.912 1.080 1.00 0.00 N ATOM 2040 CA LEU B 35 -15.137 1.779 2.094 1.00 0.00 C ATOM 2041 C LEU B 35 -14.319 3.076 2.135 1.00 0.00 C ATOM 2042 O LEU B 35 -14.006 3.578 3.196 1.00 0.00 O ATOM 2043 CB LEU B 35 -14.233 0.595 1.733 1.00 0.00 C ATOM 2044 CG LEU B 35 -13.127 0.416 2.786 1.00 0.00 C ATOM 2045 CD1 LEU B 35 -13.741 0.087 4.159 1.00 0.00 C ATOM 2046 CD2 LEU B 35 -12.207 -0.730 2.348 1.00 0.00 C ATOM 0 H LEU B 35 -16.133 1.322 0.254 1.00 0.00 H new ATOM 0 HA LEU B 35 -15.573 1.599 3.077 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -14.828 -0.316 1.665 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.786 0.758 0.752 1.00 0.00 H new ATOM 0 HG LEU B 35 -12.559 1.342 2.872 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -12.945 -0.037 4.893 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -14.397 0.901 4.469 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -14.316 -0.836 4.089 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -11.418 -0.866 3.088 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -12.786 -1.649 2.262 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -11.762 -0.490 1.383 1.00 0.00 H new ATOM 2058 N ILE B 36 -13.985 3.641 1.006 1.00 0.00 N ATOM 2059 CA ILE B 36 -13.212 4.918 1.009 1.00 0.00 C ATOM 2060 C ILE B 36 -13.958 5.962 1.845 1.00 0.00 C ATOM 2061 O ILE B 36 -13.363 6.766 2.533 1.00 0.00 O ATOM 2062 CB ILE B 36 -13.092 5.426 -0.432 1.00 0.00 C ATOM 2063 CG1 ILE B 36 -12.591 4.285 -1.326 1.00 0.00 C ATOM 2064 CG2 ILE B 36 -12.095 6.591 -0.485 1.00 0.00 C ATOM 2065 CD1 ILE B 36 -12.268 4.820 -2.723 1.00 0.00 C ATOM 0 H ILE B 36 -14.213 3.274 0.082 1.00 0.00 H new ATOM 0 HA ILE B 36 -12.222 4.750 1.432 1.00 0.00 H new ATOM 0 HB ILE B 36 -14.066 5.769 -0.782 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -11.703 3.831 -0.887 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -13.349 3.504 -1.392 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -12.011 6.951 -1.510 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -12.446 7.400 0.156 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -11.119 6.251 -0.138 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -11.913 4.004 -3.352 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.166 5.253 -3.163 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -11.495 5.585 -2.650 1.00 0.00 H new ATOM 2077 N ASN B 37 -15.259 5.971 1.759 1.00 0.00 N ATOM 2078 CA ASN B 37 -16.062 6.979 2.511 1.00 0.00 C ATOM 2079 C ASN B 37 -15.935 6.774 4.025 1.00 0.00 C ATOM 2080 O ASN B 37 -16.110 7.699 4.792 1.00 0.00 O ATOM 2081 CB ASN B 37 -17.533 6.836 2.109 1.00 0.00 C ATOM 2082 CG ASN B 37 -18.390 7.794 2.939 1.00 0.00 C ATOM 2083 OD1 ASN B 37 -19.306 7.375 3.617 1.00 0.00 O ATOM 2084 ND2 ASN B 37 -18.131 9.073 2.913 1.00 0.00 N ATOM 0 H ASN B 37 -15.805 5.319 1.196 1.00 0.00 H new ATOM 0 HA ASN B 37 -15.688 7.973 2.267 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -17.653 7.053 1.047 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -17.864 5.809 2.264 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -18.698 9.719 3.462 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -17.362 9.426 2.344 1.00 0.00 H new ATOM 2091 N ASN B 38 -15.662 5.567 4.464 1.00 0.00 N ATOM 2092 CA ASN B 38 -15.558 5.293 5.938 1.00 0.00 C ATOM 2093 C ASN B 38 -14.139 4.858 6.319 1.00 0.00 C ATOM 2094 O ASN B 38 -13.892 4.501 7.453 1.00 0.00 O ATOM 2095 CB ASN B 38 -16.536 4.172 6.301 1.00 0.00 C ATOM 2096 CG ASN B 38 -17.941 4.547 5.824 1.00 0.00 C ATOM 2097 OD1 ASN B 38 -18.159 5.642 5.344 1.00 0.00 O ATOM 2098 ND2 ASN B 38 -18.909 3.680 5.937 1.00 0.00 N ATOM 0 H ASN B 38 -15.506 4.756 3.865 1.00 0.00 H new ATOM 0 HA ASN B 38 -15.797 6.207 6.481 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -16.221 3.236 5.839 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -16.537 4.011 7.379 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -19.849 3.921 5.622 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -18.726 2.761 6.340 1.00 0.00 H new ATOM 2105 N GLU B 39 -13.207 4.870 5.393 1.00 0.00 N ATOM 2106 CA GLU B 39 -11.805 4.439 5.724 1.00 0.00 C ATOM 2107 C GLU B 39 -10.818 5.579 5.463 1.00 0.00 C ATOM 2108 O GLU B 39 -9.793 5.671 6.109 1.00 0.00 O ATOM 2109 CB GLU B 39 -11.429 3.244 4.844 1.00 0.00 C ATOM 2110 CG GLU B 39 -10.167 2.578 5.396 1.00 0.00 C ATOM 2111 CD GLU B 39 -10.505 1.843 6.695 1.00 0.00 C ATOM 2112 OE1 GLU B 39 -10.858 0.678 6.618 1.00 0.00 O ATOM 2113 OE2 GLU B 39 -10.407 2.458 7.743 1.00 0.00 O ATOM 0 H GLU B 39 -13.354 5.158 4.426 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.759 4.165 6.778 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -12.249 2.527 4.817 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -11.260 3.573 3.819 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -9.762 1.879 4.665 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -9.398 3.328 5.579 1.00 0.00 H new ATOM 2120 N LEU B 40 -11.120 6.454 4.534 1.00 0.00 N ATOM 2121 CA LEU B 40 -10.201 7.603 4.233 1.00 0.00 C ATOM 2122 C LEU B 40 -10.939 8.916 4.525 1.00 0.00 C ATOM 2123 O LEU B 40 -10.610 9.960 3.996 1.00 0.00 O ATOM 2124 CB LEU B 40 -9.783 7.544 2.745 1.00 0.00 C ATOM 2125 CG LEU B 40 -8.426 6.835 2.597 1.00 0.00 C ATOM 2126 CD1 LEU B 40 -8.493 5.431 3.217 1.00 0.00 C ATOM 2127 CD2 LEU B 40 -8.074 6.725 1.110 1.00 0.00 C ATOM 0 H LEU B 40 -11.967 6.423 3.967 1.00 0.00 H new ATOM 0 HA LEU B 40 -9.307 7.546 4.854 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -10.542 7.015 2.168 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.719 8.553 2.338 1.00 0.00 H new ATOM 0 HG LEU B 40 -7.660 7.412 3.115 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -7.527 4.938 3.107 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -8.740 5.512 4.276 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -9.259 4.845 2.709 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -7.113 6.223 1.000 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.844 6.151 0.595 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -8.014 7.723 0.675 1.00 0.00 H new ATOM 2139 N SER B 41 -11.932 8.865 5.371 1.00 0.00 N ATOM 2140 CA SER B 41 -12.695 10.098 5.711 1.00 0.00 C ATOM 2141 C SER B 41 -11.816 11.029 6.549 1.00 0.00 C ATOM 2142 O SER B 41 -12.003 12.229 6.560 1.00 0.00 O ATOM 2143 CB SER B 41 -13.940 9.720 6.513 1.00 0.00 C ATOM 2144 OG SER B 41 -14.634 10.903 6.887 1.00 0.00 O ATOM 0 H SER B 41 -12.248 8.018 5.843 1.00 0.00 H new ATOM 0 HA SER B 41 -12.991 10.606 4.793 1.00 0.00 H new ATOM 0 HB2 SER B 41 -14.588 9.077 5.918 1.00 0.00 H new ATOM 0 HB3 SER B 41 -13.657 9.154 7.401 1.00 0.00 H new ATOM 0 HG SER B 41 -15.434 10.665 7.400 1.00 0.00 H new ATOM 2150 N HIS B 42 -10.858 10.488 7.250 1.00 0.00 N ATOM 2151 CA HIS B 42 -9.969 11.346 8.082 1.00 0.00 C ATOM 2152 C HIS B 42 -9.008 12.114 7.172 1.00 0.00 C ATOM 2153 O HIS B 42 -8.764 13.289 7.359 1.00 0.00 O ATOM 2154 CB HIS B 42 -9.171 10.465 9.045 1.00 0.00 C ATOM 2155 CG HIS B 42 -8.363 11.334 9.969 1.00 0.00 C ATOM 2156 ND1 HIS B 42 -8.954 12.179 10.894 1.00 0.00 N ATOM 2157 CD2 HIS B 42 -7.008 11.497 10.125 1.00 0.00 C ATOM 2158 CE1 HIS B 42 -7.967 12.808 11.558 1.00 0.00 C ATOM 2159 NE2 HIS B 42 -6.761 12.428 11.128 1.00 0.00 N ATOM 0 H HIS B 42 -10.653 9.489 7.282 1.00 0.00 H new ATOM 0 HA HIS B 42 -10.571 12.054 8.652 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -9.847 9.833 9.621 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -8.513 9.800 8.486 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -6.250 10.981 9.555 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -8.130 13.532 12.343 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -5.854 12.751 11.463 1.00 0.00 H new ATOM 2167 N PHE B 43 -8.459 11.456 6.187 1.00 0.00 N ATOM 2168 CA PHE B 43 -7.513 12.144 5.264 1.00 0.00 C ATOM 2169 C PHE B 43 -8.281 13.144 4.396 1.00 0.00 C ATOM 2170 O PHE B 43 -7.723 14.090 3.876 1.00 0.00 O ATOM 2171 CB PHE B 43 -6.829 11.108 4.369 1.00 0.00 C ATOM 2172 CG PHE B 43 -5.842 10.305 5.186 1.00 0.00 C ATOM 2173 CD1 PHE B 43 -4.614 10.870 5.552 1.00 0.00 C ATOM 2174 CD2 PHE B 43 -6.153 8.996 5.576 1.00 0.00 C ATOM 2175 CE1 PHE B 43 -3.698 10.127 6.308 1.00 0.00 C ATOM 2176 CE2 PHE B 43 -5.237 8.254 6.331 1.00 0.00 C ATOM 2177 CZ PHE B 43 -4.010 8.819 6.697 1.00 0.00 C ATOM 0 H PHE B 43 -8.625 10.471 5.982 1.00 0.00 H new ATOM 0 HA PHE B 43 -6.759 12.675 5.846 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -7.574 10.446 3.927 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -6.316 11.606 3.546 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -4.373 11.879 5.251 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -7.100 8.559 5.294 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -2.751 10.563 6.591 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -5.477 7.245 6.631 1.00 0.00 H new ATOM 0 HZ PHE B 43 -3.304 8.246 7.280 1.00 0.00 H new ATOM 2187 N LEU B 44 -9.558 12.932 4.227 1.00 0.00 N ATOM 2188 CA LEU B 44 -10.370 13.854 3.381 1.00 0.00 C ATOM 2189 C LEU B 44 -10.078 15.309 3.776 1.00 0.00 C ATOM 2190 O LEU B 44 -10.169 16.211 2.968 1.00 0.00 O ATOM 2191 CB LEU B 44 -11.867 13.531 3.584 1.00 0.00 C ATOM 2192 CG LEU B 44 -12.670 13.764 2.287 1.00 0.00 C ATOM 2193 CD1 LEU B 44 -12.450 15.196 1.787 1.00 0.00 C ATOM 2194 CD2 LEU B 44 -12.246 12.755 1.194 1.00 0.00 C ATOM 0 H LEU B 44 -10.076 12.157 4.640 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.112 13.722 2.330 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -11.978 12.494 3.902 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -12.271 14.154 4.382 1.00 0.00 H new ATOM 0 HG LEU B 44 -13.728 13.616 2.504 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -13.020 15.353 0.871 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -12.783 15.902 2.548 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -11.390 15.352 1.586 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -12.824 12.936 0.288 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -11.185 12.877 0.978 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -12.430 11.740 1.545 1.00 0.00 H new ATOM 2206 N GLU B 45 -9.731 15.546 5.009 1.00 0.00 N ATOM 2207 CA GLU B 45 -9.444 16.943 5.441 1.00 0.00 C ATOM 2208 C GLU B 45 -8.103 17.402 4.864 1.00 0.00 C ATOM 2209 O GLU B 45 -7.957 18.526 4.426 1.00 0.00 O ATOM 2210 CB GLU B 45 -9.388 17.000 6.969 1.00 0.00 C ATOM 2211 CG GLU B 45 -9.465 18.457 7.430 1.00 0.00 C ATOM 2212 CD GLU B 45 -9.255 18.525 8.943 1.00 0.00 C ATOM 2213 OE1 GLU B 45 -8.144 18.275 9.379 1.00 0.00 O ATOM 2214 OE2 GLU B 45 -10.209 18.828 9.641 1.00 0.00 O ATOM 0 H GLU B 45 -9.634 14.836 5.735 1.00 0.00 H new ATOM 0 HA GLU B 45 -10.233 17.601 5.077 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -10.213 16.429 7.395 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -8.465 16.543 7.327 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -8.707 19.051 6.920 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -10.434 18.882 7.167 1.00 0.00 H new ATOM 2221 N GLU B 46 -7.120 16.544 4.868 1.00 0.00 N ATOM 2222 CA GLU B 46 -5.782 16.931 4.329 1.00 0.00 C ATOM 2223 C GLU B 46 -5.730 16.672 2.820 1.00 0.00 C ATOM 2224 O GLU B 46 -4.903 15.921 2.341 1.00 0.00 O ATOM 2225 CB GLU B 46 -4.700 16.101 5.022 1.00 0.00 C ATOM 2226 CG GLU B 46 -4.844 16.237 6.539 1.00 0.00 C ATOM 2227 CD GLU B 46 -3.581 15.710 7.222 1.00 0.00 C ATOM 2228 OE1 GLU B 46 -2.505 15.956 6.703 1.00 0.00 O ATOM 2229 OE2 GLU B 46 -3.712 15.068 8.251 1.00 0.00 O ATOM 0 H GLU B 46 -7.184 15.589 5.222 1.00 0.00 H new ATOM 0 HA GLU B 46 -5.613 17.991 4.516 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -4.787 15.054 4.730 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -3.712 16.438 4.708 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -5.006 17.281 6.807 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -5.715 15.680 6.883 1.00 0.00 H new ATOM 2236 N ILE B 47 -6.604 17.298 2.068 1.00 0.00 N ATOM 2237 CA ILE B 47 -6.619 17.109 0.580 1.00 0.00 C ATOM 2238 C ILE B 47 -6.423 18.465 -0.099 1.00 0.00 C ATOM 2239 O ILE B 47 -7.337 19.261 -0.192 1.00 0.00 O ATOM 2240 CB ILE B 47 -7.973 16.530 0.154 1.00 0.00 C ATOM 2241 CG1 ILE B 47 -8.206 15.165 0.828 1.00 0.00 C ATOM 2242 CG2 ILE B 47 -8.013 16.372 -1.368 1.00 0.00 C ATOM 2243 CD1 ILE B 47 -7.055 14.194 0.523 1.00 0.00 C ATOM 0 H ILE B 47 -7.314 17.938 2.424 1.00 0.00 H new ATOM 0 HA ILE B 47 -5.819 16.427 0.290 1.00 0.00 H new ATOM 0 HB ILE B 47 -8.762 17.214 0.466 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -8.297 15.299 1.906 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -9.147 14.740 0.479 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -8.977 15.960 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -7.873 17.345 -1.839 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -7.217 15.698 -1.685 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -7.246 13.238 1.011 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -6.982 14.043 -0.554 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -6.119 14.611 0.895 1.00 0.00 H new ATOM 2255 N LYS B 48 -5.237 18.739 -0.576 1.00 0.00 N ATOM 2256 CA LYS B 48 -4.985 20.047 -1.249 1.00 0.00 C ATOM 2257 C LYS B 48 -5.347 19.933 -2.732 1.00 0.00 C ATOM 2258 O LYS B 48 -5.927 20.830 -3.311 1.00 0.00 O ATOM 2259 CB LYS B 48 -3.506 20.419 -1.103 1.00 0.00 C ATOM 2260 CG LYS B 48 -3.041 20.119 0.325 1.00 0.00 C ATOM 2261 CD LYS B 48 -3.968 20.813 1.326 1.00 0.00 C ATOM 2262 CE LYS B 48 -3.310 20.835 2.707 1.00 0.00 C ATOM 2263 NZ LYS B 48 -2.736 19.492 3.006 1.00 0.00 N ATOM 0 H LYS B 48 -4.433 18.114 -0.529 1.00 0.00 H new ATOM 0 HA LYS B 48 -5.597 20.821 -0.787 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -2.906 19.855 -1.818 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -3.362 21.476 -1.329 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -3.042 19.043 0.500 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -2.016 20.464 0.464 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -4.179 21.830 0.997 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -4.923 20.290 1.376 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -2.526 21.592 2.736 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -4.043 21.106 3.467 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -2.395 19.471 3.988 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -3.469 18.765 2.879 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -1.944 19.301 2.360 1.00 0.00 H new ATOM 2277 N GLU B 49 -5.011 18.831 -3.352 1.00 0.00 N ATOM 2278 CA GLU B 49 -5.338 18.654 -4.797 1.00 0.00 C ATOM 2279 C GLU B 49 -6.761 18.107 -4.928 1.00 0.00 C ATOM 2280 O GLU B 49 -7.013 16.946 -4.672 1.00 0.00 O ATOM 2281 CB GLU B 49 -4.353 17.665 -5.424 1.00 0.00 C ATOM 2282 CG GLU B 49 -2.997 18.345 -5.619 1.00 0.00 C ATOM 2283 CD GLU B 49 -2.493 18.871 -4.274 1.00 0.00 C ATOM 2284 OE1 GLU B 49 -2.366 18.074 -3.359 1.00 0.00 O ATOM 2285 OE2 GLU B 49 -2.244 20.061 -4.181 1.00 0.00 O ATOM 0 H GLU B 49 -4.524 18.046 -2.919 1.00 0.00 H new ATOM 0 HA GLU B 49 -5.265 19.613 -5.310 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -4.243 16.790 -4.783 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -4.736 17.313 -6.382 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -2.280 17.638 -6.037 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -3.088 19.165 -6.331 1.00 0.00 H new ATOM 2292 N GLN B 50 -7.695 18.926 -5.330 1.00 0.00 N ATOM 2293 CA GLN B 50 -9.097 18.441 -5.484 1.00 0.00 C ATOM 2294 C GLN B 50 -9.255 17.756 -6.844 1.00 0.00 C ATOM 2295 O GLN B 50 -10.076 16.877 -7.015 1.00 0.00 O ATOM 2296 CB GLN B 50 -10.056 19.630 -5.403 1.00 0.00 C ATOM 2297 CG GLN B 50 -10.068 20.180 -3.975 1.00 0.00 C ATOM 2298 CD GLN B 50 -8.707 20.802 -3.656 1.00 0.00 C ATOM 2299 OE1 GLN B 50 -8.014 21.262 -4.540 1.00 0.00 O ATOM 2300 NE2 GLN B 50 -8.294 20.836 -2.418 1.00 0.00 N ATOM 0 H GLN B 50 -7.548 19.909 -5.558 1.00 0.00 H new ATOM 0 HA GLN B 50 -9.325 17.730 -4.690 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -9.747 20.408 -6.101 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -11.060 19.321 -5.694 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -10.855 20.927 -3.868 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -10.289 19.380 -3.268 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -8.876 20.449 -1.675 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -7.389 21.249 -2.193 1.00 0.00 H new ATOM 2309 N GLU B 51 -8.481 18.157 -7.814 1.00 0.00 N ATOM 2310 CA GLU B 51 -8.595 17.535 -9.165 1.00 0.00 C ATOM 2311 C GLU B 51 -7.993 16.125 -9.156 1.00 0.00 C ATOM 2312 O GLU B 51 -8.346 15.296 -9.972 1.00 0.00 O ATOM 2313 CB GLU B 51 -7.889 18.403 -10.208 1.00 0.00 C ATOM 2314 CG GLU B 51 -8.471 19.817 -10.175 1.00 0.00 C ATOM 2315 CD GLU B 51 -9.916 19.787 -10.675 1.00 0.00 C ATOM 2316 OE1 GLU B 51 -10.266 18.838 -11.357 1.00 0.00 O ATOM 2317 OE2 GLU B 51 -10.648 20.714 -10.368 1.00 0.00 O ATOM 0 H GLU B 51 -7.775 18.888 -7.731 1.00 0.00 H new ATOM 0 HA GLU B 51 -9.651 17.462 -9.426 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -6.818 18.434 -10.006 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -8.013 17.970 -11.201 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -8.435 20.213 -9.160 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -7.873 20.482 -10.798 1.00 0.00 H new ATOM 2324 N VAL B 52 -7.124 15.821 -8.233 1.00 0.00 N ATOM 2325 CA VAL B 52 -6.561 14.440 -8.186 1.00 0.00 C ATOM 2326 C VAL B 52 -7.630 13.508 -7.614 1.00 0.00 C ATOM 2327 O VAL B 52 -7.929 12.477 -8.184 1.00 0.00 O ATOM 2328 CB VAL B 52 -5.323 14.413 -7.280 1.00 0.00 C ATOM 2329 CG1 VAL B 52 -4.891 12.964 -7.034 1.00 0.00 C ATOM 2330 CG2 VAL B 52 -4.179 15.169 -7.955 1.00 0.00 C ATOM 0 H VAL B 52 -6.781 16.460 -7.516 1.00 0.00 H new ATOM 0 HA VAL B 52 -6.272 14.120 -9.187 1.00 0.00 H new ATOM 0 HB VAL B 52 -5.567 14.886 -6.329 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -4.012 12.951 -6.390 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -5.702 12.419 -6.551 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -4.651 12.489 -7.985 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -3.300 15.149 -7.311 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -3.942 14.695 -8.907 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -4.478 16.203 -8.129 1.00 0.00 H new ATOM 2340 N VAL B 53 -8.214 13.852 -6.503 1.00 0.00 N ATOM 2341 CA VAL B 53 -9.261 12.967 -5.927 1.00 0.00 C ATOM 2342 C VAL B 53 -10.439 12.889 -6.900 1.00 0.00 C ATOM 2343 O VAL B 53 -11.095 11.875 -7.018 1.00 0.00 O ATOM 2344 CB VAL B 53 -9.732 13.534 -4.585 1.00 0.00 C ATOM 2345 CG1 VAL B 53 -10.932 12.730 -4.079 1.00 0.00 C ATOM 2346 CG2 VAL B 53 -8.593 13.441 -3.567 1.00 0.00 C ATOM 0 H VAL B 53 -8.014 14.700 -5.972 1.00 0.00 H new ATOM 0 HA VAL B 53 -8.853 11.969 -5.767 1.00 0.00 H new ATOM 0 HB VAL B 53 -10.024 14.576 -4.715 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -11.265 13.136 -3.124 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -11.744 12.794 -4.803 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -10.643 11.687 -3.949 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -8.926 13.844 -2.611 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -8.303 12.398 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -7.738 14.014 -3.924 1.00 0.00 H new ATOM 2356 N ASP B 54 -10.713 13.956 -7.598 1.00 0.00 N ATOM 2357 CA ASP B 54 -11.848 13.941 -8.561 1.00 0.00 C ATOM 2358 C ASP B 54 -11.619 12.847 -9.605 1.00 0.00 C ATOM 2359 O ASP B 54 -12.527 12.130 -9.976 1.00 0.00 O ATOM 2360 CB ASP B 54 -11.945 15.297 -9.261 1.00 0.00 C ATOM 2361 CG ASP B 54 -12.338 16.371 -8.244 1.00 0.00 C ATOM 2362 OD1 ASP B 54 -12.920 16.016 -7.232 1.00 0.00 O ATOM 2363 OD2 ASP B 54 -12.050 17.529 -8.494 1.00 0.00 O ATOM 0 H ASP B 54 -10.201 14.836 -7.543 1.00 0.00 H new ATOM 0 HA ASP B 54 -12.775 13.743 -8.022 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -10.990 15.549 -9.721 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -12.683 15.252 -10.062 1.00 0.00 H new ATOM 2368 N LYS B 55 -10.412 12.721 -10.097 1.00 0.00 N ATOM 2369 CA LYS B 55 -10.139 11.682 -11.131 1.00 0.00 C ATOM 2370 C LYS B 55 -10.206 10.291 -10.499 1.00 0.00 C ATOM 2371 O LYS B 55 -10.530 9.324 -11.159 1.00 0.00 O ATOM 2372 CB LYS B 55 -8.757 11.910 -11.752 1.00 0.00 C ATOM 2373 CG LYS B 55 -8.751 13.211 -12.581 1.00 0.00 C ATOM 2374 CD LYS B 55 -9.246 12.940 -14.016 1.00 0.00 C ATOM 2375 CE LYS B 55 -8.085 12.455 -14.893 1.00 0.00 C ATOM 2376 NZ LYS B 55 -8.565 12.271 -16.292 1.00 0.00 N ATOM 0 H LYS B 55 -9.609 13.290 -9.828 1.00 0.00 H new ATOM 0 HA LYS B 55 -10.893 11.753 -11.915 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -8.003 11.967 -10.967 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -8.492 11.065 -12.387 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -9.389 13.956 -12.105 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -7.744 13.626 -12.610 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -10.037 12.191 -14.000 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -9.676 13.848 -14.438 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -7.270 13.178 -14.869 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -7.690 11.516 -14.506 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -7.779 11.942 -16.888 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -9.329 11.566 -16.307 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -8.922 13.176 -16.658 1.00 0.00 H new ATOM 2390 N VAL B 56 -9.945 10.171 -9.227 1.00 0.00 N ATOM 2391 CA VAL B 56 -10.045 8.835 -8.577 1.00 0.00 C ATOM 2392 C VAL B 56 -11.492 8.356 -8.681 1.00 0.00 C ATOM 2393 O VAL B 56 -11.771 7.287 -9.186 1.00 0.00 O ATOM 2394 CB VAL B 56 -9.655 8.961 -7.103 1.00 0.00 C ATOM 2395 CG1 VAL B 56 -9.873 7.620 -6.399 1.00 0.00 C ATOM 2396 CG2 VAL B 56 -8.178 9.359 -7.001 1.00 0.00 C ATOM 0 H VAL B 56 -9.668 10.936 -8.612 1.00 0.00 H new ATOM 0 HA VAL B 56 -9.378 8.125 -9.066 1.00 0.00 H new ATOM 0 HB VAL B 56 -10.272 9.723 -6.627 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -9.595 7.711 -5.349 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -10.923 7.337 -6.473 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -9.257 6.856 -6.873 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -7.897 9.450 -5.952 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -7.562 8.596 -7.477 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -8.023 10.315 -7.502 1.00 0.00 H new ATOM 2406 N MET B 57 -12.415 9.142 -8.202 1.00 0.00 N ATOM 2407 CA MET B 57 -13.847 8.739 -8.264 1.00 0.00 C ATOM 2408 C MET B 57 -14.234 8.381 -9.701 1.00 0.00 C ATOM 2409 O MET B 57 -15.141 7.604 -9.927 1.00 0.00 O ATOM 2410 CB MET B 57 -14.721 9.896 -7.776 1.00 0.00 C ATOM 2411 CG MET B 57 -14.608 10.018 -6.256 1.00 0.00 C ATOM 2412 SD MET B 57 -15.566 8.697 -5.473 1.00 0.00 S ATOM 2413 CE MET B 57 -14.644 8.638 -3.918 1.00 0.00 C ATOM 0 H MET B 57 -12.239 10.049 -7.769 1.00 0.00 H new ATOM 0 HA MET B 57 -13.998 7.867 -7.628 1.00 0.00 H new ATOM 0 HB2 MET B 57 -14.408 10.826 -8.250 1.00 0.00 H new ATOM 0 HB3 MET B 57 -15.759 9.726 -8.061 1.00 0.00 H new ATOM 0 HG2 MET B 57 -13.563 9.954 -5.952 1.00 0.00 H new ATOM 0 HG3 MET B 57 -14.976 10.991 -5.930 1.00 0.00 H new ATOM 0 HE1 MET B 57 -15.073 7.874 -3.269 1.00 0.00 H new ATOM 0 HE2 MET B 57 -13.601 8.396 -4.122 1.00 0.00 H new ATOM 0 HE3 MET B 57 -14.701 9.608 -3.424 1.00 0.00 H new ATOM 2423 N GLU B 58 -13.546 8.915 -10.680 1.00 0.00 N ATOM 2424 CA GLU B 58 -13.873 8.571 -12.097 1.00 0.00 C ATOM 2425 C GLU B 58 -13.134 7.291 -12.492 1.00 0.00 C ATOM 2426 O GLU B 58 -13.650 6.479 -13.231 1.00 0.00 O ATOM 2427 CB GLU B 58 -13.490 9.724 -13.029 1.00 0.00 C ATOM 2428 CG GLU B 58 -14.232 9.580 -14.360 1.00 0.00 C ATOM 2429 CD GLU B 58 -13.601 10.509 -15.400 1.00 0.00 C ATOM 2430 OE1 GLU B 58 -12.599 11.128 -15.082 1.00 0.00 O ATOM 2431 OE2 GLU B 58 -14.132 10.585 -16.495 1.00 0.00 O ATOM 0 H GLU B 58 -12.775 9.572 -10.559 1.00 0.00 H new ATOM 0 HA GLU B 58 -14.946 8.406 -12.189 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.739 10.678 -12.564 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.413 9.724 -13.200 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -14.186 8.547 -14.704 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -15.286 9.826 -14.229 1.00 0.00 H new ATOM 2438 N THR B 59 -11.947 7.079 -11.996 1.00 0.00 N ATOM 2439 CA THR B 59 -11.229 5.828 -12.347 1.00 0.00 C ATOM 2440 C THR B 59 -11.984 4.656 -11.724 1.00 0.00 C ATOM 2441 O THR B 59 -12.296 3.693 -12.398 1.00 0.00 O ATOM 2442 CB THR B 59 -9.799 5.881 -11.820 1.00 0.00 C ATOM 2443 OG1 THR B 59 -9.813 6.272 -10.455 1.00 0.00 O ATOM 2444 CG2 THR B 59 -8.988 6.888 -12.636 1.00 0.00 C ATOM 0 H THR B 59 -11.449 7.712 -11.370 1.00 0.00 H new ATOM 0 HA THR B 59 -11.185 5.708 -13.429 1.00 0.00 H new ATOM 0 HB THR B 59 -9.342 4.896 -11.910 1.00 0.00 H new ATOM 0 HG1 THR B 59 -10.700 6.618 -10.223 1.00 0.00 H new ATOM 0 HG21 THR B 59 -7.966 6.924 -12.258 1.00 0.00 H new ATOM 0 HG22 THR B 59 -8.977 6.583 -13.683 1.00 0.00 H new ATOM 0 HG23 THR B 59 -9.442 7.875 -12.550 1.00 0.00 H new ATOM 2452 N LEU B 60 -12.323 4.723 -10.469 1.00 0.00 N ATOM 2453 CA LEU B 60 -13.097 3.604 -9.870 1.00 0.00 C ATOM 2454 C LEU B 60 -14.395 3.445 -10.659 1.00 0.00 C ATOM 2455 O LEU B 60 -14.685 2.391 -11.189 1.00 0.00 O ATOM 2456 CB LEU B 60 -13.432 3.930 -8.412 1.00 0.00 C ATOM 2457 CG LEU B 60 -12.151 4.270 -7.644 1.00 0.00 C ATOM 2458 CD1 LEU B 60 -12.520 4.791 -6.253 1.00 0.00 C ATOM 2459 CD2 LEU B 60 -11.274 3.017 -7.504 1.00 0.00 C ATOM 0 H LEU B 60 -12.101 5.494 -9.839 1.00 0.00 H new ATOM 0 HA LEU B 60 -12.512 2.685 -9.905 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -14.126 4.770 -8.369 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -13.931 3.080 -7.946 1.00 0.00 H new ATOM 0 HG LEU B 60 -11.597 5.033 -8.190 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -11.611 5.034 -5.703 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -13.135 5.685 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -13.077 4.025 -5.713 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -10.365 3.268 -6.957 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -11.823 2.247 -6.962 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -11.010 2.645 -8.494 1.00 0.00 H new ATOM 2471 N ASP B 61 -15.177 4.487 -10.754 1.00 0.00 N ATOM 2472 CA ASP B 61 -16.448 4.392 -11.521 1.00 0.00 C ATOM 2473 C ASP B 61 -16.155 3.826 -12.912 1.00 0.00 C ATOM 2474 O ASP B 61 -17.013 3.248 -13.549 1.00 0.00 O ATOM 2475 CB ASP B 61 -17.068 5.784 -11.658 1.00 0.00 C ATOM 2476 CG ASP B 61 -17.433 6.318 -10.272 1.00 0.00 C ATOM 2477 OD1 ASP B 61 -16.795 5.911 -9.315 1.00 0.00 O ATOM 2478 OD2 ASP B 61 -18.344 7.125 -10.191 1.00 0.00 O ATOM 0 H ASP B 61 -14.989 5.397 -10.334 1.00 0.00 H new ATOM 0 HA ASP B 61 -17.143 3.737 -10.997 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -16.366 6.460 -12.147 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -17.957 5.738 -12.287 1.00 0.00 H new ATOM 2483 N GLU B 62 -14.944 3.988 -13.389 1.00 0.00 N ATOM 2484 CA GLU B 62 -14.583 3.460 -14.743 1.00 0.00 C ATOM 2485 C GLU B 62 -13.820 2.153 -14.593 1.00 0.00 C ATOM 2486 O GLU B 62 -12.869 1.872 -15.297 1.00 0.00 O ATOM 2487 CB GLU B 62 -13.703 4.457 -15.448 1.00 0.00 C ATOM 2488 CG GLU B 62 -14.535 5.660 -15.905 1.00 0.00 C ATOM 2489 CD GLU B 62 -13.611 6.725 -16.499 1.00 0.00 C ATOM 2490 OE1 GLU B 62 -12.454 6.759 -16.112 1.00 0.00 O ATOM 2491 OE2 GLU B 62 -14.075 7.486 -17.331 1.00 0.00 O ATOM 0 H GLU B 62 -14.188 4.465 -12.897 1.00 0.00 H new ATOM 0 HA GLU B 62 -15.493 3.292 -15.319 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -12.907 4.787 -14.781 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -13.224 3.988 -16.308 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -15.270 5.347 -16.647 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -15.089 6.073 -15.062 1.00 0.00 H new ATOM 2498 N ASP B 63 -14.247 1.371 -13.681 1.00 0.00 N ATOM 2499 CA ASP B 63 -13.601 0.049 -13.419 1.00 0.00 C ATOM 2500 C ASP B 63 -13.348 -0.658 -14.752 1.00 0.00 C ATOM 2501 O ASP B 63 -12.346 -1.319 -14.941 1.00 0.00 O ATOM 2502 CB ASP B 63 -14.571 -0.793 -12.595 1.00 0.00 C ATOM 2503 CG ASP B 63 -13.951 -2.157 -12.303 1.00 0.00 C ATOM 2504 OD1 ASP B 63 -12.974 -2.197 -11.574 1.00 0.00 O ATOM 2505 OD2 ASP B 63 -14.467 -3.140 -12.809 1.00 0.00 O ATOM 0 H ASP B 63 -15.041 1.580 -13.076 1.00 0.00 H new ATOM 0 HA ASP B 63 -12.658 0.184 -12.890 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -14.807 -0.283 -11.661 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -15.509 -0.918 -13.136 1.00 0.00 H new ATOM 2510 N GLY B 64 -14.240 -0.473 -15.683 1.00 0.00 N ATOM 2511 CA GLY B 64 -14.089 -1.077 -17.041 1.00 0.00 C ATOM 2512 C GLY B 64 -13.795 -2.589 -16.994 1.00 0.00 C ATOM 2513 O GLY B 64 -13.809 -3.241 -18.020 1.00 0.00 O ATOM 0 H GLY B 64 -15.086 0.083 -15.560 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -15.001 -0.907 -17.613 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -13.282 -0.571 -17.571 1.00 0.00 H new ATOM 2517 N ASP B 65 -13.524 -3.163 -15.841 1.00 0.00 N ATOM 2518 CA ASP B 65 -13.227 -4.645 -15.784 1.00 0.00 C ATOM 2519 C ASP B 65 -14.403 -5.460 -15.183 1.00 0.00 C ATOM 2520 O ASP B 65 -14.596 -6.597 -15.567 1.00 0.00 O ATOM 2521 CB ASP B 65 -11.988 -4.867 -14.916 1.00 0.00 C ATOM 2522 CG ASP B 65 -12.197 -4.225 -13.545 1.00 0.00 C ATOM 2523 OD1 ASP B 65 -12.837 -4.847 -12.713 1.00 0.00 O ATOM 2524 OD2 ASP B 65 -11.713 -3.123 -13.349 1.00 0.00 O ATOM 0 H ASP B 65 -13.494 -2.680 -14.943 1.00 0.00 H new ATOM 0 HA ASP B 65 -13.067 -4.990 -16.806 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -11.798 -5.934 -14.803 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -11.111 -4.436 -15.400 1.00 0.00 H new ATOM 2529 N GLY B 66 -15.192 -4.933 -14.268 1.00 0.00 N ATOM 2530 CA GLY B 66 -16.328 -5.726 -13.693 1.00 0.00 C ATOM 2531 C GLY B 66 -15.961 -6.199 -12.282 1.00 0.00 C ATOM 2532 O GLY B 66 -16.820 -6.410 -11.449 1.00 0.00 O ATOM 0 H GLY B 66 -15.096 -3.988 -13.897 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -17.231 -5.116 -13.660 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -16.546 -6.583 -14.330 1.00 0.00 H new ATOM 2536 N GLU B 67 -14.690 -6.357 -11.998 1.00 0.00 N ATOM 2537 CA GLU B 67 -14.281 -6.803 -10.626 1.00 0.00 C ATOM 2538 C GLU B 67 -12.915 -6.204 -10.272 1.00 0.00 C ATOM 2539 O GLU B 67 -11.980 -6.284 -11.044 1.00 0.00 O ATOM 2540 CB GLU B 67 -14.199 -8.331 -10.587 1.00 0.00 C ATOM 2541 CG GLU B 67 -15.611 -8.923 -10.552 1.00 0.00 C ATOM 2542 CD GLU B 67 -15.524 -10.440 -10.373 1.00 0.00 C ATOM 2543 OE1 GLU B 67 -14.873 -11.077 -11.185 1.00 0.00 O ATOM 2544 OE2 GLU B 67 -16.110 -10.939 -9.426 1.00 0.00 O ATOM 0 H GLU B 67 -13.923 -6.198 -12.651 1.00 0.00 H new ATOM 0 HA GLU B 67 -15.020 -6.462 -9.901 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -13.662 -8.698 -11.461 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -13.638 -8.652 -9.710 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -16.182 -8.482 -9.735 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -16.140 -8.685 -11.475 1.00 0.00 H new ATOM 2551 N CYS B 68 -12.786 -5.609 -9.109 1.00 0.00 N ATOM 2552 CA CYS B 68 -11.475 -5.008 -8.702 1.00 0.00 C ATOM 2553 C CYS B 68 -10.778 -5.941 -7.708 1.00 0.00 C ATOM 2554 O CYS B 68 -11.340 -6.324 -6.701 1.00 0.00 O ATOM 2555 CB CYS B 68 -11.723 -3.648 -8.042 1.00 0.00 C ATOM 2556 SG CYS B 68 -10.207 -3.080 -7.234 1.00 0.00 S ATOM 0 H CYS B 68 -13.534 -5.514 -8.422 1.00 0.00 H new ATOM 0 HA CYS B 68 -10.843 -4.875 -9.580 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -12.042 -2.922 -8.790 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -12.528 -3.728 -7.312 1.00 0.00 H new ATOM 0 HG CYS B 68 -9.750 -4.019 -6.459 1.00 0.00 H new ATOM 2562 N ASP B 69 -9.558 -6.316 -7.987 1.00 0.00 N ATOM 2563 CA ASP B 69 -8.822 -7.232 -7.066 1.00 0.00 C ATOM 2564 C ASP B 69 -8.177 -6.423 -5.938 1.00 0.00 C ATOM 2565 O ASP B 69 -8.370 -5.228 -5.826 1.00 0.00 O ATOM 2566 CB ASP B 69 -7.734 -7.970 -7.848 1.00 0.00 C ATOM 2567 CG ASP B 69 -7.175 -9.111 -6.996 1.00 0.00 C ATOM 2568 OD1 ASP B 69 -7.967 -9.875 -6.470 1.00 0.00 O ATOM 2569 OD2 ASP B 69 -5.963 -9.201 -6.884 1.00 0.00 O ATOM 0 H ASP B 69 -9.038 -6.027 -8.815 1.00 0.00 H new ATOM 0 HA ASP B 69 -9.520 -7.952 -6.639 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -8.144 -8.364 -8.778 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -6.935 -7.280 -8.119 1.00 0.00 H new ATOM 2574 N PHE B 70 -7.405 -7.067 -5.104 1.00 0.00 N ATOM 2575 CA PHE B 70 -6.738 -6.338 -3.987 1.00 0.00 C ATOM 2576 C PHE B 70 -5.549 -5.544 -4.538 1.00 0.00 C ATOM 2577 O PHE B 70 -5.243 -4.469 -4.064 1.00 0.00 O ATOM 2578 CB PHE B 70 -6.261 -7.344 -2.935 1.00 0.00 C ATOM 2579 CG PHE B 70 -5.682 -6.616 -1.745 1.00 0.00 C ATOM 2580 CD1 PHE B 70 -4.388 -6.087 -1.810 1.00 0.00 C ATOM 2581 CD2 PHE B 70 -6.437 -6.475 -0.574 1.00 0.00 C ATOM 2582 CE1 PHE B 70 -3.849 -5.417 -0.706 1.00 0.00 C ATOM 2583 CE2 PHE B 70 -5.898 -5.805 0.530 1.00 0.00 C ATOM 2584 CZ PHE B 70 -4.603 -5.276 0.464 1.00 0.00 C ATOM 0 H PHE B 70 -7.208 -8.067 -5.148 1.00 0.00 H new ATOM 0 HA PHE B 70 -7.442 -5.648 -3.523 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -7.093 -7.972 -2.617 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.510 -8.005 -3.367 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -3.805 -6.196 -2.713 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -7.435 -6.883 -0.523 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -2.851 -5.009 -0.757 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -6.481 -5.696 1.433 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.186 -4.759 1.316 1.00 0.00 H new ATOM 2594 N GLN B 71 -4.881 -6.050 -5.538 1.00 0.00 N ATOM 2595 CA GLN B 71 -3.726 -5.298 -6.108 1.00 0.00 C ATOM 2596 C GLN B 71 -4.214 -3.933 -6.601 1.00 0.00 C ATOM 2597 O GLN B 71 -3.546 -2.931 -6.441 1.00 0.00 O ATOM 2598 CB GLN B 71 -3.132 -6.081 -7.281 1.00 0.00 C ATOM 2599 CG GLN B 71 -1.768 -5.492 -7.649 1.00 0.00 C ATOM 2600 CD GLN B 71 -1.130 -6.329 -8.759 1.00 0.00 C ATOM 2601 OE1 GLN B 71 -1.816 -6.842 -9.620 1.00 0.00 O ATOM 2602 NE2 GLN B 71 0.166 -6.488 -8.775 1.00 0.00 N ATOM 0 H GLN B 71 -5.082 -6.945 -5.983 1.00 0.00 H new ATOM 0 HA GLN B 71 -2.962 -5.163 -5.342 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -3.026 -7.132 -7.014 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -3.803 -6.036 -8.139 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -1.884 -4.460 -7.979 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -1.119 -5.476 -6.773 1.00 0.00 H new ATOM 0 HE21 GLN B 71 0.742 -6.057 -8.052 1.00 0.00 H new ATOM 0 HE22 GLN B 71 0.603 -7.043 -9.511 1.00 0.00 H new ATOM 2611 N GLU B 72 -5.375 -3.882 -7.190 1.00 0.00 N ATOM 2612 CA GLU B 72 -5.905 -2.579 -7.681 1.00 0.00 C ATOM 2613 C GLU B 72 -6.312 -1.708 -6.485 1.00 0.00 C ATOM 2614 O GLU B 72 -6.347 -0.497 -6.566 1.00 0.00 O ATOM 2615 CB GLU B 72 -7.114 -2.821 -8.591 1.00 0.00 C ATOM 2616 CG GLU B 72 -6.635 -3.264 -9.976 1.00 0.00 C ATOM 2617 CD GLU B 72 -7.824 -3.787 -10.784 1.00 0.00 C ATOM 2618 OE1 GLU B 72 -8.293 -4.871 -10.477 1.00 0.00 O ATOM 2619 OE2 GLU B 72 -8.245 -3.096 -11.697 1.00 0.00 O ATOM 0 H GLU B 72 -5.981 -4.686 -7.353 1.00 0.00 H new ATOM 0 HA GLU B 72 -5.132 -2.064 -8.251 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -7.761 -3.584 -8.158 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -7.707 -1.910 -8.674 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -6.168 -2.427 -10.496 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -5.877 -4.042 -9.879 1.00 0.00 H new ATOM 2626 N PHE B 73 -6.590 -2.322 -5.368 1.00 0.00 N ATOM 2627 CA PHE B 73 -6.967 -1.547 -4.147 1.00 0.00 C ATOM 2628 C PHE B 73 -5.710 -0.945 -3.508 1.00 0.00 C ATOM 2629 O PHE B 73 -5.722 0.193 -3.086 1.00 0.00 O ATOM 2630 CB PHE B 73 -7.706 -2.458 -3.157 1.00 0.00 C ATOM 2631 CG PHE B 73 -7.859 -1.773 -1.813 1.00 0.00 C ATOM 2632 CD1 PHE B 73 -8.500 -0.530 -1.725 1.00 0.00 C ATOM 2633 CD2 PHE B 73 -7.369 -2.387 -0.650 1.00 0.00 C ATOM 2634 CE1 PHE B 73 -8.648 0.097 -0.482 1.00 0.00 C ATOM 2635 CE2 PHE B 73 -7.519 -1.760 0.592 1.00 0.00 C ATOM 2636 CZ PHE B 73 -8.159 -0.518 0.676 1.00 0.00 C ATOM 0 H PHE B 73 -6.573 -3.334 -5.246 1.00 0.00 H new ATOM 0 HA PHE B 73 -7.636 -0.732 -4.424 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -8.688 -2.715 -3.554 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -7.157 -3.392 -3.035 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -8.880 -0.055 -2.617 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -6.875 -3.345 -0.714 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -9.140 1.056 -0.417 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -7.141 -2.234 1.486 1.00 0.00 H new ATOM 0 HZ PHE B 73 -8.275 -0.034 1.635 1.00 0.00 H new ATOM 2646 N MET B 74 -4.626 -1.658 -3.435 1.00 0.00 N ATOM 2647 CA MET B 74 -3.413 -1.042 -2.823 1.00 0.00 C ATOM 2648 C MET B 74 -2.927 0.093 -3.728 1.00 0.00 C ATOM 2649 O MET B 74 -2.331 1.041 -3.256 1.00 0.00 O ATOM 2650 CB MET B 74 -2.310 -2.087 -2.654 1.00 0.00 C ATOM 2651 CG MET B 74 -1.228 -1.538 -1.719 1.00 0.00 C ATOM 2652 SD MET B 74 -1.855 -1.504 -0.015 1.00 0.00 S ATOM 2653 CE MET B 74 -1.795 0.289 0.256 1.00 0.00 C ATOM 0 H MET B 74 -4.523 -2.618 -3.763 1.00 0.00 H new ATOM 0 HA MET B 74 -3.663 -0.649 -1.837 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.726 -3.008 -2.246 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.877 -2.335 -3.623 1.00 0.00 H new ATOM 0 HG2 MET B 74 -0.334 -2.160 -1.776 1.00 0.00 H new ATOM 0 HG3 MET B 74 -0.939 -0.534 -2.031 1.00 0.00 H new ATOM 0 HE1 MET B 74 -1.600 0.491 1.309 1.00 0.00 H new ATOM 0 HE2 MET B 74 -0.999 0.722 -0.350 1.00 0.00 H new ATOM 0 HE3 MET B 74 -2.750 0.732 -0.028 1.00 0.00 H new ATOM 2663 N ALA B 75 -3.181 0.046 -5.005 1.00 0.00 N ATOM 2664 CA ALA B 75 -2.738 1.163 -5.891 1.00 0.00 C ATOM 2665 C ALA B 75 -3.675 2.369 -5.735 1.00 0.00 C ATOM 2666 O ALA B 75 -3.228 3.474 -5.499 1.00 0.00 O ATOM 2667 CB ALA B 75 -2.763 0.691 -7.346 1.00 0.00 C ATOM 0 H ALA B 75 -3.674 -0.713 -5.475 1.00 0.00 H new ATOM 0 HA ALA B 75 -1.727 1.460 -5.611 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -2.440 1.503 -7.998 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -2.090 -0.158 -7.465 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -3.776 0.392 -7.614 1.00 0.00 H new ATOM 2673 N PHE B 76 -4.962 2.187 -5.870 1.00 0.00 N ATOM 2674 CA PHE B 76 -5.886 3.354 -5.733 1.00 0.00 C ATOM 2675 C PHE B 76 -5.723 3.978 -4.340 1.00 0.00 C ATOM 2676 O PHE B 76 -5.833 5.176 -4.172 1.00 0.00 O ATOM 2677 CB PHE B 76 -7.345 2.900 -5.940 1.00 0.00 C ATOM 2678 CG PHE B 76 -7.679 2.881 -7.421 1.00 0.00 C ATOM 2679 CD1 PHE B 76 -7.626 4.068 -8.166 1.00 0.00 C ATOM 2680 CD2 PHE B 76 -8.038 1.680 -8.049 1.00 0.00 C ATOM 2681 CE1 PHE B 76 -7.929 4.052 -9.531 1.00 0.00 C ATOM 2682 CE2 PHE B 76 -8.342 1.667 -9.416 1.00 0.00 C ATOM 2683 CZ PHE B 76 -8.286 2.852 -10.157 1.00 0.00 C ATOM 0 H PHE B 76 -5.411 1.292 -6.067 1.00 0.00 H new ATOM 0 HA PHE B 76 -5.639 4.098 -6.491 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -7.489 1.907 -5.514 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -8.022 3.574 -5.415 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -7.351 4.995 -7.685 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.080 0.764 -7.478 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -7.888 4.967 -10.103 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -8.620 0.741 -9.898 1.00 0.00 H new ATOM 0 HZ PHE B 76 -8.518 2.841 -11.212 1.00 0.00 H new ATOM 2693 N VAL B 77 -5.454 3.182 -3.347 1.00 0.00 N ATOM 2694 CA VAL B 77 -5.277 3.746 -1.977 1.00 0.00 C ATOM 2695 C VAL B 77 -4.056 4.675 -1.974 1.00 0.00 C ATOM 2696 O VAL B 77 -4.018 5.661 -1.266 1.00 0.00 O ATOM 2697 CB VAL B 77 -5.063 2.601 -0.977 1.00 0.00 C ATOM 2698 CG1 VAL B 77 -4.583 3.160 0.368 1.00 0.00 C ATOM 2699 CG2 VAL B 77 -6.383 1.852 -0.768 1.00 0.00 C ATOM 0 H VAL B 77 -5.349 2.170 -3.420 1.00 0.00 H new ATOM 0 HA VAL B 77 -6.165 4.309 -1.689 1.00 0.00 H new ATOM 0 HB VAL B 77 -4.310 1.920 -1.374 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -4.434 2.340 1.071 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -3.642 3.692 0.226 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -5.331 3.846 0.765 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -6.232 1.039 -0.058 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -7.134 2.539 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -6.724 1.444 -1.719 1.00 0.00 H new ATOM 2709 N SER B 78 -3.058 4.363 -2.753 1.00 0.00 N ATOM 2710 CA SER B 78 -1.840 5.223 -2.789 1.00 0.00 C ATOM 2711 C SER B 78 -2.154 6.560 -3.471 1.00 0.00 C ATOM 2712 O SER B 78 -1.869 7.617 -2.944 1.00 0.00 O ATOM 2713 CB SER B 78 -0.739 4.504 -3.569 1.00 0.00 C ATOM 2714 OG SER B 78 -1.034 4.564 -4.958 1.00 0.00 O ATOM 0 H SER B 78 -3.032 3.549 -3.367 1.00 0.00 H new ATOM 0 HA SER B 78 -1.510 5.415 -1.768 1.00 0.00 H new ATOM 0 HB2 SER B 78 0.227 4.969 -3.370 1.00 0.00 H new ATOM 0 HB3 SER B 78 -0.666 3.466 -3.245 1.00 0.00 H new ATOM 0 HG SER B 78 -1.675 3.859 -5.187 1.00 0.00 H new ATOM 2720 N MET B 79 -2.711 6.521 -4.649 1.00 0.00 N ATOM 2721 CA MET B 79 -3.011 7.787 -5.382 1.00 0.00 C ATOM 2722 C MET B 79 -3.771 8.768 -4.487 1.00 0.00 C ATOM 2723 O MET B 79 -3.541 9.959 -4.536 1.00 0.00 O ATOM 2724 CB MET B 79 -3.859 7.469 -6.615 1.00 0.00 C ATOM 2725 CG MET B 79 -3.009 6.719 -7.641 1.00 0.00 C ATOM 2726 SD MET B 79 -4.019 6.327 -9.092 1.00 0.00 S ATOM 2727 CE MET B 79 -3.797 7.901 -9.957 1.00 0.00 C ATOM 0 H MET B 79 -2.973 5.666 -5.139 1.00 0.00 H new ATOM 0 HA MET B 79 -2.069 8.246 -5.681 1.00 0.00 H new ATOM 0 HB2 MET B 79 -4.721 6.865 -6.331 1.00 0.00 H new ATOM 0 HB3 MET B 79 -4.245 8.390 -7.051 1.00 0.00 H new ATOM 0 HG2 MET B 79 -2.153 7.327 -7.934 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.614 5.803 -7.202 1.00 0.00 H new ATOM 0 HE1 MET B 79 -4.302 7.860 -10.922 1.00 0.00 H new ATOM 0 HE2 MET B 79 -4.221 8.708 -9.359 1.00 0.00 H new ATOM 0 HE3 MET B 79 -2.734 8.085 -10.111 1.00 0.00 H new ATOM 2737 N VAL B 80 -4.673 8.292 -3.679 1.00 0.00 N ATOM 2738 CA VAL B 80 -5.438 9.227 -2.799 1.00 0.00 C ATOM 2739 C VAL B 80 -4.540 9.725 -1.664 1.00 0.00 C ATOM 2740 O VAL B 80 -4.440 10.911 -1.421 1.00 0.00 O ATOM 2741 CB VAL B 80 -6.651 8.503 -2.204 1.00 0.00 C ATOM 2742 CG1 VAL B 80 -7.495 9.495 -1.399 1.00 0.00 C ATOM 2743 CG2 VAL B 80 -7.504 7.911 -3.329 1.00 0.00 C ATOM 0 H VAL B 80 -4.916 7.306 -3.587 1.00 0.00 H new ATOM 0 HA VAL B 80 -5.776 10.076 -3.393 1.00 0.00 H new ATOM 0 HB VAL B 80 -6.305 7.702 -1.551 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -8.357 8.980 -0.976 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -6.893 9.915 -0.594 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -7.837 10.297 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -8.365 7.397 -2.901 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -7.848 8.711 -3.985 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -6.907 7.202 -3.904 1.00 0.00 H new ATOM 2753 N THR B 81 -3.875 8.842 -0.972 1.00 0.00 N ATOM 2754 CA THR B 81 -2.981 9.297 0.130 1.00 0.00 C ATOM 2755 C THR B 81 -1.908 10.218 -0.455 1.00 0.00 C ATOM 2756 O THR B 81 -1.567 11.237 0.114 1.00 0.00 O ATOM 2757 CB THR B 81 -2.312 8.086 0.783 1.00 0.00 C ATOM 2758 OG1 THR B 81 -3.304 7.135 1.141 1.00 0.00 O ATOM 2759 CG2 THR B 81 -1.555 8.535 2.035 1.00 0.00 C ATOM 0 H THR B 81 -3.911 7.833 -1.120 1.00 0.00 H new ATOM 0 HA THR B 81 -3.563 9.832 0.881 1.00 0.00 H new ATOM 0 HB THR B 81 -1.612 7.633 0.081 1.00 0.00 H new ATOM 0 HG1 THR B 81 -3.532 6.590 0.359 1.00 0.00 H new ATOM 0 HG21 THR B 81 -1.078 7.673 2.501 1.00 0.00 H new ATOM 0 HG22 THR B 81 -0.794 9.265 1.758 1.00 0.00 H new ATOM 0 HG23 THR B 81 -2.253 8.988 2.739 1.00 0.00 H new ATOM 2767 N THR B 82 -1.378 9.862 -1.592 1.00 0.00 N ATOM 2768 CA THR B 82 -0.329 10.703 -2.234 1.00 0.00 C ATOM 2769 C THR B 82 -0.963 11.971 -2.814 1.00 0.00 C ATOM 2770 O THR B 82 -0.295 12.962 -3.034 1.00 0.00 O ATOM 2771 CB THR B 82 0.344 9.908 -3.355 1.00 0.00 C ATOM 2772 OG1 THR B 82 -0.650 9.394 -4.229 1.00 0.00 O ATOM 2773 CG2 THR B 82 1.145 8.753 -2.752 1.00 0.00 C ATOM 0 H THR B 82 -1.628 9.018 -2.108 1.00 0.00 H new ATOM 0 HA THR B 82 0.415 10.984 -1.488 1.00 0.00 H new ATOM 0 HB THR B 82 1.016 10.560 -3.913 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.900 8.490 -3.944 1.00 0.00 H new ATOM 0 HG21 THR B 82 1.624 8.187 -3.551 1.00 0.00 H new ATOM 0 HG22 THR B 82 1.907 9.150 -2.081 1.00 0.00 H new ATOM 0 HG23 THR B 82 0.476 8.098 -2.194 1.00 0.00 H new ATOM 2781 N ALA B 83 -2.246 11.954 -3.061 1.00 0.00 N ATOM 2782 CA ALA B 83 -2.910 13.167 -3.622 1.00 0.00 C ATOM 2783 C ALA B 83 -2.654 14.350 -2.692 1.00 0.00 C ATOM 2784 O ALA B 83 -2.644 15.492 -3.106 1.00 0.00 O ATOM 2785 CB ALA B 83 -4.417 12.930 -3.732 1.00 0.00 C ATOM 0 H ALA B 83 -2.861 11.156 -2.899 1.00 0.00 H new ATOM 0 HA ALA B 83 -2.506 13.376 -4.612 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -4.896 13.819 -4.142 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -4.605 12.081 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -4.826 12.721 -2.743 1.00 0.00 H new ATOM 2791 N CYS B 84 -2.447 14.082 -1.433 1.00 0.00 N ATOM 2792 CA CYS B 84 -2.191 15.187 -0.468 1.00 0.00 C ATOM 2793 C CYS B 84 -0.779 15.737 -0.686 1.00 0.00 C ATOM 2794 O CYS B 84 0.116 15.028 -1.101 1.00 0.00 O ATOM 2795 CB CYS B 84 -2.316 14.655 0.961 1.00 0.00 C ATOM 2796 SG CYS B 84 -0.914 13.570 1.326 1.00 0.00 S ATOM 0 H CYS B 84 -2.444 13.145 -1.030 1.00 0.00 H new ATOM 0 HA CYS B 84 -2.919 15.983 -0.624 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -2.342 15.484 1.668 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -3.252 14.109 1.076 1.00 0.00 H new ATOM 0 HG CYS B 84 -1.055 12.448 0.685 1.00 0.00 H new ATOM 2802 N HIS B 85 -0.576 16.997 -0.413 1.00 0.00 N ATOM 2803 CA HIS B 85 0.776 17.596 -0.607 1.00 0.00 C ATOM 2804 C HIS B 85 1.837 16.693 0.023 1.00 0.00 C ATOM 2805 O HIS B 85 1.529 15.711 0.670 1.00 0.00 O ATOM 2806 CB HIS B 85 0.821 18.973 0.058 1.00 0.00 C ATOM 2807 CG HIS B 85 0.510 18.832 1.522 1.00 0.00 C ATOM 2808 ND1 HIS B 85 -0.340 17.849 2.006 1.00 0.00 N ATOM 2809 CD2 HIS B 85 0.929 19.539 2.622 1.00 0.00 C ATOM 2810 CE1 HIS B 85 -0.404 17.991 3.342 1.00 0.00 C ATOM 2811 NE2 HIS B 85 0.350 19.007 3.770 1.00 0.00 N ATOM 0 H HIS B 85 -1.288 17.638 -0.064 1.00 0.00 H new ATOM 0 HA HIS B 85 0.976 17.697 -1.674 1.00 0.00 H new ATOM 0 HB2 HIS B 85 1.806 19.421 -0.074 1.00 0.00 H new ATOM 0 HB3 HIS B 85 0.101 19.641 -0.415 1.00 0.00 H new ATOM 0 HD2 HIS B 85 1.606 20.381 2.600 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -0.994 17.360 3.990 1.00 0.00 H new ATOM 0 HE2 HIS B 85 0.475 19.325 4.731 1.00 0.00 H new ATOM 2819 N GLU B 86 3.089 17.018 -0.158 1.00 0.00 N ATOM 2820 CA GLU B 86 4.174 16.182 0.431 1.00 0.00 C ATOM 2821 C GLU B 86 3.850 15.889 1.900 1.00 0.00 C ATOM 2822 O GLU B 86 4.066 16.710 2.769 1.00 0.00 O ATOM 2823 CB GLU B 86 5.506 16.940 0.332 1.00 0.00 C ATOM 2824 CG GLU B 86 5.268 18.433 0.584 1.00 0.00 C ATOM 2825 CD GLU B 86 6.598 19.120 0.904 1.00 0.00 C ATOM 2826 OE1 GLU B 86 7.618 18.638 0.440 1.00 0.00 O ATOM 2827 OE2 GLU B 86 6.573 20.116 1.608 1.00 0.00 O ATOM 0 H GLU B 86 3.407 17.828 -0.690 1.00 0.00 H new ATOM 0 HA GLU B 86 4.252 15.241 -0.113 1.00 0.00 H new ATOM 0 HB2 GLU B 86 6.215 16.546 1.060 1.00 0.00 H new ATOM 0 HB3 GLU B 86 5.947 16.793 -0.654 1.00 0.00 H new ATOM 0 HG2 GLU B 86 4.812 18.892 -0.294 1.00 0.00 H new ATOM 0 HG3 GLU B 86 4.571 18.566 1.411 1.00 0.00 H new ATOM 2834 N PHE B 87 3.331 14.726 2.185 1.00 0.00 N ATOM 2835 CA PHE B 87 2.996 14.396 3.597 1.00 0.00 C ATOM 2836 C PHE B 87 4.280 14.340 4.429 1.00 0.00 C ATOM 2837 O PHE B 87 4.258 14.535 5.628 1.00 0.00 O ATOM 2838 CB PHE B 87 2.266 13.050 3.663 1.00 0.00 C ATOM 2839 CG PHE B 87 3.120 11.962 3.055 1.00 0.00 C ATOM 2840 CD1 PHE B 87 4.171 11.403 3.792 1.00 0.00 C ATOM 2841 CD2 PHE B 87 2.854 11.502 1.758 1.00 0.00 C ATOM 2842 CE1 PHE B 87 4.955 10.387 3.234 1.00 0.00 C ATOM 2843 CE2 PHE B 87 3.639 10.487 1.201 1.00 0.00 C ATOM 2844 CZ PHE B 87 4.689 9.929 1.939 1.00 0.00 C ATOM 0 H PHE B 87 3.126 13.994 1.505 1.00 0.00 H new ATOM 0 HA PHE B 87 2.341 15.168 4.001 1.00 0.00 H new ATOM 0 HB2 PHE B 87 2.035 12.804 4.699 1.00 0.00 H new ATOM 0 HB3 PHE B 87 1.317 13.117 3.132 1.00 0.00 H new ATOM 0 HD1 PHE B 87 4.377 11.756 4.792 1.00 0.00 H new ATOM 0 HD2 PHE B 87 2.043 11.931 1.189 1.00 0.00 H new ATOM 0 HE1 PHE B 87 5.766 9.956 3.803 1.00 0.00 H new ATOM 0 HE2 PHE B 87 3.435 10.134 0.201 1.00 0.00 H new ATOM 0 HZ PHE B 87 5.294 9.145 1.509 1.00 0.00 H new ATOM 2854 N PHE B 88 5.401 14.085 3.808 1.00 0.00 N ATOM 2855 CA PHE B 88 6.677 14.032 4.579 1.00 0.00 C ATOM 2856 C PHE B 88 6.823 15.319 5.390 1.00 0.00 C ATOM 2857 O PHE B 88 7.227 15.305 6.535 1.00 0.00 O ATOM 2858 CB PHE B 88 7.862 13.904 3.618 1.00 0.00 C ATOM 2859 CG PHE B 88 7.571 12.849 2.578 1.00 0.00 C ATOM 2860 CD1 PHE B 88 7.779 11.497 2.874 1.00 0.00 C ATOM 2861 CD2 PHE B 88 7.101 13.225 1.313 1.00 0.00 C ATOM 2862 CE1 PHE B 88 7.516 10.520 1.906 1.00 0.00 C ATOM 2863 CE2 PHE B 88 6.840 12.248 0.345 1.00 0.00 C ATOM 2864 CZ PHE B 88 7.047 10.896 0.641 1.00 0.00 C ATOM 0 H PHE B 88 5.488 13.912 2.807 1.00 0.00 H new ATOM 0 HA PHE B 88 6.662 13.170 5.246 1.00 0.00 H new ATOM 0 HB2 PHE B 88 8.053 14.861 3.133 1.00 0.00 H new ATOM 0 HB3 PHE B 88 8.763 13.642 4.172 1.00 0.00 H new ATOM 0 HD1 PHE B 88 8.142 11.207 3.849 1.00 0.00 H new ATOM 0 HD2 PHE B 88 6.940 14.268 1.085 1.00 0.00 H new ATOM 0 HE1 PHE B 88 7.675 9.477 2.135 1.00 0.00 H new ATOM 0 HE2 PHE B 88 6.479 12.538 -0.631 1.00 0.00 H new ATOM 0 HZ PHE B 88 6.845 10.143 -0.106 1.00 0.00 H new ATOM 2874 N GLU B 89 6.499 16.434 4.788 1.00 0.00 N ATOM 2875 CA GLU B 89 6.614 17.746 5.491 1.00 0.00 C ATOM 2876 C GLU B 89 5.226 18.216 5.925 1.00 0.00 C ATOM 2877 O GLU B 89 4.799 19.306 5.599 1.00 0.00 O ATOM 2878 CB GLU B 89 7.223 18.776 4.539 1.00 0.00 C ATOM 2879 CG GLU B 89 8.465 18.181 3.871 1.00 0.00 C ATOM 2880 CD GLU B 89 9.135 19.245 3.000 1.00 0.00 C ATOM 2881 OE1 GLU B 89 8.715 20.389 3.068 1.00 0.00 O ATOM 2882 OE2 GLU B 89 10.057 18.899 2.280 1.00 0.00 O ATOM 0 H GLU B 89 6.156 16.492 3.829 1.00 0.00 H new ATOM 0 HA GLU B 89 7.250 17.635 6.369 1.00 0.00 H new ATOM 0 HB2 GLU B 89 6.493 19.064 3.783 1.00 0.00 H new ATOM 0 HB3 GLU B 89 7.489 19.680 5.086 1.00 0.00 H new ATOM 0 HG2 GLU B 89 9.163 17.824 4.629 1.00 0.00 H new ATOM 0 HG3 GLU B 89 8.187 17.320 3.263 1.00 0.00 H new ATOM 2889 N HIS B 90 4.517 17.405 6.660 1.00 0.00 N ATOM 2890 CA HIS B 90 3.159 17.811 7.116 1.00 0.00 C ATOM 2891 C HIS B 90 3.283 18.976 8.101 1.00 0.00 C ATOM 2892 O HIS B 90 3.000 18.841 9.274 1.00 0.00 O ATOM 2893 CB HIS B 90 2.476 16.629 7.805 1.00 0.00 C ATOM 2894 CG HIS B 90 1.033 16.966 8.061 1.00 0.00 C ATOM 2895 ND1 HIS B 90 0.446 16.806 9.306 1.00 0.00 N ATOM 2896 CD2 HIS B 90 0.047 17.458 7.241 1.00 0.00 C ATOM 2897 CE1 HIS B 90 -0.838 17.194 9.201 1.00 0.00 C ATOM 2898 NE2 HIS B 90 -1.134 17.601 7.964 1.00 0.00 N ATOM 0 H HIS B 90 4.819 16.480 6.964 1.00 0.00 H new ATOM 0 HA HIS B 90 2.563 18.121 6.257 1.00 0.00 H new ATOM 0 HB2 HIS B 90 2.548 15.739 7.180 1.00 0.00 H new ATOM 0 HB3 HIS B 90 2.980 16.401 8.744 1.00 0.00 H new ATOM 0 HD2 HIS B 90 0.169 17.697 6.195 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -1.544 17.178 10.018 1.00 0.00 H new ATOM 0 HE2 HIS B 90 -2.032 17.943 7.622 1.00 0.00 H new ATOM 2906 N GLU B 91 3.706 20.118 7.632 1.00 0.00 N ATOM 2907 CA GLU B 91 3.850 21.289 8.542 1.00 0.00 C ATOM 2908 C GLU B 91 2.467 21.742 9.014 1.00 0.00 C ATOM 2909 O GLU B 91 2.284 22.936 9.187 1.00 0.00 O ATOM 2910 CB GLU B 91 4.534 22.434 7.792 1.00 0.00 C ATOM 2911 CG GLU B 91 5.972 22.037 7.454 1.00 0.00 C ATOM 2912 CD GLU B 91 6.803 21.987 8.737 1.00 0.00 C ATOM 2913 OE1 GLU B 91 7.066 23.041 9.290 1.00 0.00 O ATOM 2914 OE2 GLU B 91 7.163 20.894 9.144 1.00 0.00 O ATOM 2915 OXT GLU B 91 1.616 20.887 9.196 1.00 0.00 O ATOM 0 H GLU B 91 3.958 20.291 6.659 1.00 0.00 H new ATOM 0 HA GLU B 91 4.453 21.007 9.405 1.00 0.00 H new ATOM 0 HB2 GLU B 91 3.985 22.664 6.879 1.00 0.00 H new ATOM 0 HB3 GLU B 91 4.529 23.337 8.403 1.00 0.00 H new ATOM 0 HG2 GLU B 91 5.986 21.065 6.961 1.00 0.00 H new ATOM 0 HG3 GLU B 91 6.404 22.754 6.756 1.00 0.00 H new TER 2922 GLU B 91