USER MOD reduce.3.24.130724 H: found=0, std=0, add=1428, rem=0, adj=40 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: B 48 LYS NZ :NH3+ 168:sc= -0.531 (180deg=0) USER MOD Set 1.2: B 85 HIS : no HE2:sc= -1.03 K(o=-1.6,f=-0.53) USER MOD Set 2.1: B 55 LYS NZ :NH3+ -119:sc= -0.0255 (180deg=0) USER MOD Set 2.2: B 79 MET CE :methyl 180:sc= -0.0149 (180deg=0) USER MOD Set 3.1: B 29 LYS NZ :NH3+ -140:sc= -0.562 (180deg=-3.12!) USER MOD Set 3.2: B 30 SER OG : rot 180:sc= 0.125 USER MOD Set 4.1: A 82 THR OG1 : rot -86:sc= -0.695 USER MOD Set 4.2: B 71 GLN : amide:sc= -1.83 X(o=-2.5,f=-2.8) USER MOD Set 5.1: A 7 MET CE :methyl 150:sc= -16.8! (180deg=-14.7!) USER MOD Set 5.2: A 78 SER OG : rot -96:sc= -0.734 USER MOD Set 5.3: A 81 THR OG1 : rot 99:sc= -4.5! USER MOD Set 5.4: B 7 MET CE :methyl 159:sc= -15.8! (180deg=-14.4!) USER MOD Set 5.5: B 78 SER OG : rot -98:sc= -0.486 USER MOD Set 5.6: B 81 THR OG1 : rot 100:sc= -4.49! USER MOD Set 6.1: A 55 LYS NZ :NH3+ -119:sc= -0.0143 (180deg=0) USER MOD Set 6.2: A 79 MET CE :methyl 180:sc= -0.0136 (180deg=0) USER MOD Set 7.1: A 71 GLN : amide:sc= -1.45 X(o=-1.7,f=-1.8) USER MOD Set 7.2: B 82 THR OG1 : rot -85:sc= -0.25 USER MOD Set 8.1: A 48 LYS NZ :NH3+ 167:sc= -0.545 (180deg=0) USER MOD Set 8.2: A 85 HIS : no HE2:sc= -1.07 K(o=-1.6,f=-0.56) USER MOD Set 9.1: A 29 LYS NZ :NH3+ -138:sc= -0.525 (180deg=-3.14!) USER MOD Set 9.2: A 30 SER OG : rot 180:sc= 0.11 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc= -0.171 (180deg=-0.171) USER MOD Single : A 1 SER OG : rot 140:sc= -1.34 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.379 X(o=-0.38,f=-0.18) USER MOD Single : A 16 GLN : amide:sc= -0.027 X(o=-0.027,f=-0.2) 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= -2.69! C(o=-2.7!,f=-2.5!) USER MOD Single : A 26 LYS NZ :NH3+ -144:sc= -0.442 (180deg=-2.31!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -128:sc= 0.257 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.435 K(o=-0.43,f=-1.1) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 23:sc= 0.142! USER MOD Single : A 42 HIS : no HD1:sc=-0.00356 X(o=-0.0036,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.0685 K(o=-0.069,f=-2.2!) USER MOD Single : A 57 MET CE :methyl -154:sc= -0.539 (180deg=-1.6!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -120:sc= -1.5! USER MOD Single : A 74 MET CE :methyl 155:sc= -15.7! (180deg=-17.9!) USER MOD Single : A 84 CYS SG : rot -95:sc= -0.267 USER MOD Single : A 90 HIS : no HD1:sc= -0.928 X(o=-0.93,f=-0.62) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ 180:sc= -0.17 (180deg=-0.17) USER MOD Single : B 1 SER OG : rot 140:sc= -0.968 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.19) USER MOD Single : B 16 GLN : amide:sc= -0.0175 X(o=-0.017,f=-0.12) 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= -2.54 X(o=-2.5,f=-2.3) USER MOD Single : B 26 LYS NZ :NH3+ -145:sc= -0.528 (180deg=-2.29!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ -132:sc= 0.244 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -0.494 K(o=-0.49,f=-1.1) USER MOD Single : B 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot 180:sc= -0.0789 USER MOD Single : B 42 HIS : no HD1:sc=-0.00131 X(o=-0.0013,f=-0.0004) USER MOD Single : B 50 GLN : amide:sc= -0.0653 K(o=-0.065,f=-2.3!) USER MOD Single : B 57 MET CE :methyl -161:sc= -0.569 (180deg=-1.63!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 CYS SG : rot -120:sc= -1.6! USER MOD Single : B 74 MET CE :methyl 165:sc= -15.8! (180deg=-18.2!) USER MOD Single : B 84 CYS SG : rot -94:sc= -0.259 USER MOD Single : B 90 HIS : no HD1:sc= -1.02 X(o=-1,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 6.966 4.682 -15.604 1.00 0.00 N ATOM 2 CA MET A 0 8.448 4.842 -15.598 1.00 0.00 C ATOM 3 C MET A 0 9.080 3.709 -14.789 1.00 0.00 C ATOM 4 O MET A 0 9.987 3.038 -15.244 1.00 0.00 O ATOM 5 CB MET A 0 8.813 6.187 -14.965 1.00 0.00 C ATOM 6 CG MET A 0 10.165 6.656 -15.508 1.00 0.00 C ATOM 7 SD MET A 0 10.351 8.432 -15.213 1.00 0.00 S ATOM 8 CE MET A 0 12.066 8.387 -14.634 1.00 0.00 C ATOM 0 H1 MET A 0 6.536 5.453 -16.154 1.00 0.00 H new ATOM 0 H2 MET A 0 6.717 3.769 -16.034 1.00 0.00 H new ATOM 0 H3 MET A 0 6.610 4.713 -14.628 1.00 0.00 H new ATOM 0 HA MET A 0 8.821 4.809 -16.622 1.00 0.00 H new ATOM 0 HB2 MET A 0 8.044 6.926 -15.187 1.00 0.00 H new ATOM 0 HB3 MET A 0 8.858 6.090 -13.880 1.00 0.00 H new ATOM 0 HG2 MET A 0 10.973 6.109 -15.022 1.00 0.00 H new ATOM 0 HG3 MET A 0 10.233 6.445 -16.575 1.00 0.00 H new ATOM 0 HE1 MET A 0 12.394 9.397 -14.390 1.00 0.00 H new ATOM 0 HE2 MET A 0 12.134 7.759 -13.746 1.00 0.00 H new ATOM 0 HE3 MET A 0 12.704 7.977 -15.417 1.00 0.00 H new ATOM 20 N SER A 1 8.611 3.487 -13.590 1.00 0.00 N ATOM 21 CA SER A 1 9.187 2.397 -12.754 1.00 0.00 C ATOM 22 C SER A 1 8.085 1.405 -12.374 1.00 0.00 C ATOM 23 O SER A 1 6.913 1.661 -12.567 1.00 0.00 O ATOM 24 CB SER A 1 9.795 2.993 -11.483 1.00 0.00 C ATOM 25 OG SER A 1 9.720 2.037 -10.435 1.00 0.00 O ATOM 0 H SER A 1 7.854 4.014 -13.155 1.00 0.00 H new ATOM 0 HA SER A 1 9.962 1.880 -13.320 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.833 3.275 -11.660 1.00 0.00 H new ATOM 0 HB3 SER A 1 9.261 3.901 -11.202 1.00 0.00 H new ATOM 0 HG SER A 1 10.547 2.062 -9.910 1.00 0.00 H new ATOM 31 N GLU A 2 8.453 0.275 -11.836 1.00 0.00 N ATOM 32 CA GLU A 2 7.429 -0.732 -11.442 1.00 0.00 C ATOM 33 C GLU A 2 6.818 -0.338 -10.095 1.00 0.00 C ATOM 34 O GLU A 2 5.639 -0.515 -9.861 1.00 0.00 O ATOM 35 CB GLU A 2 8.089 -2.108 -11.318 1.00 0.00 C ATOM 36 CG GLU A 2 7.171 -3.170 -11.924 1.00 0.00 C ATOM 37 CD GLU A 2 7.334 -3.176 -13.446 1.00 0.00 C ATOM 38 OE1 GLU A 2 8.438 -2.929 -13.904 1.00 0.00 O ATOM 39 OE2 GLU A 2 6.353 -3.426 -14.127 1.00 0.00 O ATOM 0 H GLU A 2 9.419 0.006 -11.652 1.00 0.00 H new ATOM 0 HA GLU A 2 6.646 -0.770 -12.200 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.051 -2.109 -11.830 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.285 -2.336 -10.270 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.415 -4.152 -11.517 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.134 -2.964 -11.659 1.00 0.00 H new ATOM 46 N LEU A 3 7.614 0.192 -9.208 1.00 0.00 N ATOM 47 CA LEU A 3 7.086 0.597 -7.874 1.00 0.00 C ATOM 48 C LEU A 3 6.338 1.924 -7.997 1.00 0.00 C ATOM 49 O LEU A 3 5.218 2.063 -7.554 1.00 0.00 O ATOM 50 CB LEU A 3 8.252 0.771 -6.901 1.00 0.00 C ATOM 51 CG LEU A 3 7.727 0.765 -5.464 1.00 0.00 C ATOM 52 CD1 LEU A 3 7.040 -0.570 -5.178 1.00 0.00 C ATOM 53 CD2 LEU A 3 8.894 0.957 -4.492 1.00 0.00 C ATOM 0 H LEU A 3 8.610 0.363 -9.349 1.00 0.00 H new ATOM 0 HA LEU A 3 6.407 -0.172 -7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.976 -0.032 -7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.772 1.707 -7.105 1.00 0.00 H new ATOM 0 HG LEU A 3 7.011 1.577 -5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.666 -0.575 -4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.208 -0.707 -5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.755 -1.382 -5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.519 0.953 -3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.611 0.146 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.384 1.909 -4.695 1.00 0.00 H new ATOM 65 N GLU A 4 6.958 2.902 -8.588 1.00 0.00 N ATOM 66 CA GLU A 4 6.299 4.232 -8.735 1.00 0.00 C ATOM 67 C GLU A 4 4.926 4.069 -9.393 1.00 0.00 C ATOM 68 O GLU A 4 3.932 4.572 -8.912 1.00 0.00 O ATOM 69 CB GLU A 4 7.184 5.131 -9.609 1.00 0.00 C ATOM 70 CG GLU A 4 6.429 6.410 -9.992 1.00 0.00 C ATOM 71 CD GLU A 4 7.083 7.037 -11.226 1.00 0.00 C ATOM 72 OE1 GLU A 4 7.746 6.315 -11.953 1.00 0.00 O ATOM 73 OE2 GLU A 4 6.905 8.228 -11.425 1.00 0.00 O ATOM 0 H GLU A 4 7.898 2.840 -8.979 1.00 0.00 H new ATOM 0 HA GLU A 4 6.166 4.682 -7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.097 5.387 -9.072 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.483 4.594 -10.509 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.384 6.180 -10.198 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.443 7.116 -9.162 1.00 0.00 H new ATOM 80 N LYS A 5 4.866 3.386 -10.497 1.00 0.00 N ATOM 81 CA LYS A 5 3.560 3.212 -11.198 1.00 0.00 C ATOM 82 C LYS A 5 2.535 2.559 -10.270 1.00 0.00 C ATOM 83 O LYS A 5 1.358 2.849 -10.334 1.00 0.00 O ATOM 84 CB LYS A 5 3.759 2.329 -12.432 1.00 0.00 C ATOM 85 CG LYS A 5 3.377 3.108 -13.690 1.00 0.00 C ATOM 86 CD LYS A 5 4.230 2.626 -14.866 1.00 0.00 C ATOM 87 CE LYS A 5 3.352 1.847 -15.849 1.00 0.00 C ATOM 88 NZ LYS A 5 2.612 2.804 -16.718 1.00 0.00 N ATOM 0 H LYS A 5 5.664 2.938 -10.948 1.00 0.00 H new ATOM 0 HA LYS A 5 3.190 4.193 -11.497 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.798 2.004 -12.495 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.148 1.430 -12.350 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.319 2.966 -13.912 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.529 4.175 -13.530 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.690 3.477 -15.368 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.041 1.993 -14.505 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.968 1.186 -16.459 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.650 1.215 -15.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.015 2.276 -17.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.013 3.417 -16.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.290 3.389 -17.247 1.00 0.00 H new ATOM 102 N ALA A 6 2.961 1.669 -9.421 1.00 0.00 N ATOM 103 CA ALA A 6 1.995 0.991 -8.511 1.00 0.00 C ATOM 104 C ALA A 6 1.673 1.887 -7.311 1.00 0.00 C ATOM 105 O ALA A 6 0.583 2.408 -7.187 1.00 0.00 O ATOM 106 CB ALA A 6 2.601 -0.322 -8.019 1.00 0.00 C ATOM 0 H ALA A 6 3.934 1.381 -9.316 1.00 0.00 H new ATOM 0 HA ALA A 6 1.073 0.792 -9.057 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.897 -0.821 -7.353 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.813 -0.967 -8.872 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.526 -0.117 -7.481 1.00 0.00 H new ATOM 112 N MET A 7 2.610 2.059 -6.422 1.00 0.00 N ATOM 113 CA MET A 7 2.364 2.907 -5.221 1.00 0.00 C ATOM 114 C MET A 7 1.774 4.249 -5.651 1.00 0.00 C ATOM 115 O MET A 7 0.738 4.674 -5.172 1.00 0.00 O ATOM 116 CB MET A 7 3.694 3.143 -4.495 1.00 0.00 C ATOM 117 CG MET A 7 3.546 4.301 -3.505 1.00 0.00 C ATOM 118 SD MET A 7 2.277 3.894 -2.280 1.00 0.00 S ATOM 119 CE MET A 7 3.111 2.459 -1.559 1.00 0.00 C ATOM 0 H MET A 7 3.541 1.647 -6.475 1.00 0.00 H new ATOM 0 HA MET A 7 1.663 2.404 -4.555 1.00 0.00 H new ATOM 0 HB2 MET A 7 3.997 2.238 -3.968 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.478 3.368 -5.218 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.497 4.492 -3.008 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.274 5.214 -4.035 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.830 2.364 -0.510 1.00 0.00 H new ATOM 0 HE2 MET A 7 2.816 1.558 -2.097 1.00 0.00 H new ATOM 0 HE3 MET A 7 4.191 2.589 -1.635 1.00 0.00 H new ATOM 129 N VAL A 8 2.433 4.922 -6.548 1.00 0.00 N ATOM 130 CA VAL A 8 1.926 6.245 -7.008 1.00 0.00 C ATOM 131 C VAL A 8 0.555 6.074 -7.669 1.00 0.00 C ATOM 132 O VAL A 8 -0.264 6.972 -7.657 1.00 0.00 O ATOM 133 CB VAL A 8 2.917 6.846 -8.004 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.615 8.332 -8.190 1.00 0.00 C ATOM 135 CG2 VAL A 8 4.339 6.688 -7.457 1.00 0.00 C ATOM 0 H VAL A 8 3.302 4.614 -6.984 1.00 0.00 H new ATOM 0 HA VAL A 8 1.823 6.914 -6.154 1.00 0.00 H new ATOM 0 HB VAL A 8 2.828 6.332 -8.961 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.322 8.761 -8.900 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.600 8.452 -8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.707 8.845 -7.232 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.050 7.115 -8.164 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.421 7.206 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.559 5.630 -7.316 1.00 0.00 H new ATOM 145 N ALA A 9 0.290 4.928 -8.240 1.00 0.00 N ATOM 146 CA ALA A 9 -1.036 4.712 -8.889 1.00 0.00 C ATOM 147 C ALA A 9 -2.126 4.722 -7.817 1.00 0.00 C ATOM 148 O ALA A 9 -3.170 5.321 -7.985 1.00 0.00 O ATOM 149 CB ALA A 9 -1.044 3.363 -9.611 1.00 0.00 C ATOM 0 H ALA A 9 0.931 4.136 -8.285 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.222 5.507 -9.612 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.014 3.209 -10.084 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.264 3.353 -10.372 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.860 2.565 -8.892 1.00 0.00 H new ATOM 155 N LEU A 10 -1.891 4.067 -6.712 1.00 0.00 N ATOM 156 CA LEU A 10 -2.913 4.047 -5.631 1.00 0.00 C ATOM 157 C LEU A 10 -3.330 5.483 -5.324 1.00 0.00 C ATOM 158 O LEU A 10 -4.499 5.786 -5.181 1.00 0.00 O ATOM 159 CB LEU A 10 -2.320 3.403 -4.376 1.00 0.00 C ATOM 160 CG LEU A 10 -3.042 2.084 -4.091 1.00 0.00 C ATOM 161 CD1 LEU A 10 -2.030 1.041 -3.610 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.098 2.305 -3.005 1.00 0.00 C ATOM 0 H LEU A 10 -1.037 3.546 -6.513 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.781 3.470 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.254 3.224 -4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.422 4.077 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.524 1.730 -5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.544 0.102 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.276 0.883 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.548 1.395 -2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.613 1.366 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.615 2.659 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.820 3.048 -3.345 1.00 0.00 H new ATOM 174 N ILE A 11 -2.383 6.377 -5.235 1.00 0.00 N ATOM 175 CA ILE A 11 -2.730 7.797 -4.955 1.00 0.00 C ATOM 176 C ILE A 11 -3.774 8.259 -5.974 1.00 0.00 C ATOM 177 O ILE A 11 -4.729 8.935 -5.645 1.00 0.00 O ATOM 178 CB ILE A 11 -1.475 8.664 -5.084 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.472 8.282 -3.992 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.854 10.138 -4.932 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.862 8.982 -4.257 1.00 0.00 C ATOM 0 H ILE A 11 -1.387 6.185 -5.344 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.129 7.889 -3.945 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.024 8.503 -6.063 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.857 8.569 -3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.331 7.201 -3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.960 10.755 -5.024 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.566 10.413 -5.710 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.306 10.298 -3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.576 8.710 -3.480 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.248 8.673 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.714 10.062 -4.252 1.00 0.00 H new ATOM 193 N ASP A 12 -3.599 7.890 -7.213 1.00 0.00 N ATOM 194 CA ASP A 12 -4.574 8.296 -8.262 1.00 0.00 C ATOM 195 C ASP A 12 -5.979 7.869 -7.844 1.00 0.00 C ATOM 196 O ASP A 12 -6.889 8.671 -7.771 1.00 0.00 O ATOM 197 CB ASP A 12 -4.203 7.614 -9.580 1.00 0.00 C ATOM 198 CG ASP A 12 -5.026 8.217 -10.719 1.00 0.00 C ATOM 199 OD1 ASP A 12 -6.209 7.922 -10.791 1.00 0.00 O ATOM 200 OD2 ASP A 12 -4.461 8.965 -11.501 1.00 0.00 O ATOM 0 H ASP A 12 -2.819 7.322 -7.544 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.549 9.378 -8.389 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.139 7.741 -9.780 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.389 6.542 -9.511 1.00 0.00 H new ATOM 205 N VAL A 13 -6.161 6.608 -7.571 1.00 0.00 N ATOM 206 CA VAL A 13 -7.508 6.119 -7.155 1.00 0.00 C ATOM 207 C VAL A 13 -8.120 7.100 -6.153 1.00 0.00 C ATOM 208 O VAL A 13 -9.320 7.277 -6.098 1.00 0.00 O ATOM 209 CB VAL A 13 -7.373 4.740 -6.500 1.00 0.00 C ATOM 210 CG1 VAL A 13 -8.658 4.399 -5.739 1.00 0.00 C ATOM 211 CG2 VAL A 13 -7.135 3.687 -7.580 1.00 0.00 C ATOM 0 H VAL A 13 -5.435 5.893 -7.617 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.152 6.044 -8.031 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.533 4.754 -5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.557 3.418 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.834 5.149 -4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.499 4.388 -6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.039 2.705 -7.116 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.976 3.680 -8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.220 3.923 -8.123 1.00 0.00 H new ATOM 221 N PHE A 14 -7.307 7.732 -5.353 1.00 0.00 N ATOM 222 CA PHE A 14 -7.849 8.693 -4.348 1.00 0.00 C ATOM 223 C PHE A 14 -8.527 9.865 -5.061 1.00 0.00 C ATOM 224 O PHE A 14 -9.731 10.019 -5.015 1.00 0.00 O ATOM 225 CB PHE A 14 -6.707 9.222 -3.475 1.00 0.00 C ATOM 226 CG PHE A 14 -7.172 9.309 -2.041 1.00 0.00 C ATOM 227 CD1 PHE A 14 -7.195 8.159 -1.241 1.00 0.00 C ATOM 228 CD2 PHE A 14 -7.584 10.538 -1.509 1.00 0.00 C ATOM 229 CE1 PHE A 14 -7.628 8.238 0.088 1.00 0.00 C ATOM 230 CE2 PHE A 14 -8.017 10.617 -0.179 1.00 0.00 C ATOM 231 CZ PHE A 14 -8.038 9.467 0.619 1.00 0.00 C ATOM 0 H PHE A 14 -6.293 7.626 -5.350 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.580 8.180 -3.723 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.842 8.563 -3.549 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.390 10.204 -3.827 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.878 7.211 -1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.568 11.425 -2.125 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.646 7.351 0.704 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.334 11.565 0.230 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.371 9.528 1.645 1.00 0.00 H new ATOM 241 N HIS A 15 -7.764 10.701 -5.711 1.00 0.00 N ATOM 242 CA HIS A 15 -8.366 11.869 -6.417 1.00 0.00 C ATOM 243 C HIS A 15 -9.592 11.419 -7.217 1.00 0.00 C ATOM 244 O HIS A 15 -10.476 12.202 -7.505 1.00 0.00 O ATOM 245 CB HIS A 15 -7.336 12.480 -7.369 1.00 0.00 C ATOM 246 CG HIS A 15 -7.579 13.960 -7.483 1.00 0.00 C ATOM 247 ND1 HIS A 15 -6.842 14.768 -8.335 1.00 0.00 N ATOM 248 CD2 HIS A 15 -8.475 14.793 -6.858 1.00 0.00 C ATOM 249 CE1 HIS A 15 -7.302 16.026 -8.199 1.00 0.00 C ATOM 250 NE2 HIS A 15 -8.299 16.096 -7.311 1.00 0.00 N ATOM 0 H HIS A 15 -6.749 10.626 -5.784 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.669 12.613 -5.680 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.327 12.293 -7.000 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.408 12.012 -8.351 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -9.206 14.483 -6.126 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.913 16.875 -8.741 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -8.819 16.926 -7.027 1.00 0.00 H new ATOM 258 N GLN A 16 -9.653 10.169 -7.584 1.00 0.00 N ATOM 259 CA GLN A 16 -10.822 9.679 -8.368 1.00 0.00 C ATOM 260 C GLN A 16 -12.042 9.552 -7.452 1.00 0.00 C ATOM 261 O GLN A 16 -13.103 10.069 -7.739 1.00 0.00 O ATOM 262 CB GLN A 16 -10.493 8.312 -8.968 1.00 0.00 C ATOM 263 CG GLN A 16 -11.397 8.050 -10.176 1.00 0.00 C ATOM 264 CD GLN A 16 -10.548 8.003 -11.448 1.00 0.00 C ATOM 265 OE1 GLN A 16 -9.687 8.837 -11.649 1.00 0.00 O ATOM 266 NE2 GLN A 16 -10.755 7.057 -12.322 1.00 0.00 N ATOM 0 H GLN A 16 -8.944 9.466 -7.375 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.043 10.387 -9.167 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.446 8.279 -9.270 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.634 7.532 -8.220 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.930 7.108 -10.047 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.150 8.834 -10.257 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.477 6.357 -12.154 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.194 7.018 -13.173 1.00 0.00 H new ATOM 275 N TYR A 17 -11.901 8.860 -6.355 1.00 0.00 N ATOM 276 CA TYR A 17 -13.052 8.690 -5.423 1.00 0.00 C ATOM 277 C TYR A 17 -13.044 9.808 -4.379 1.00 0.00 C ATOM 278 O TYR A 17 -13.645 9.691 -3.327 1.00 0.00 O ATOM 279 CB TYR A 17 -12.939 7.336 -4.718 1.00 0.00 C ATOM 280 CG TYR A 17 -13.256 6.228 -5.695 1.00 0.00 C ATOM 281 CD1 TYR A 17 -12.369 5.942 -6.741 1.00 0.00 C ATOM 282 CD2 TYR A 17 -14.435 5.487 -5.555 1.00 0.00 C ATOM 283 CE1 TYR A 17 -12.664 4.918 -7.648 1.00 0.00 C ATOM 284 CE2 TYR A 17 -14.729 4.461 -6.461 1.00 0.00 C ATOM 285 CZ TYR A 17 -13.844 4.176 -7.507 1.00 0.00 C ATOM 286 OH TYR A 17 -14.135 3.165 -8.401 1.00 0.00 O ATOM 0 H TYR A 17 -11.037 8.404 -6.063 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.982 8.733 -5.989 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.933 7.206 -4.318 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.626 7.296 -3.872 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -11.458 6.512 -6.847 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -15.118 5.707 -4.748 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.982 4.700 -8.457 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.639 3.889 -6.353 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.989 2.750 -8.159 1.00 0.00 H new ATOM 296 N SER A 18 -12.371 10.892 -4.653 1.00 0.00 N ATOM 297 CA SER A 18 -12.333 12.010 -3.668 1.00 0.00 C ATOM 298 C SER A 18 -13.253 13.137 -4.144 1.00 0.00 C ATOM 299 O SER A 18 -13.830 13.856 -3.352 1.00 0.00 O ATOM 300 CB SER A 18 -10.903 12.539 -3.545 1.00 0.00 C ATOM 301 OG SER A 18 -10.775 13.268 -2.330 1.00 0.00 O ATOM 0 H SER A 18 -11.847 11.052 -5.514 1.00 0.00 H new ATOM 0 HA SER A 18 -12.669 11.648 -2.696 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.194 11.711 -3.562 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.666 13.180 -4.394 1.00 0.00 H new ATOM 0 HG SER A 18 -9.859 13.607 -2.247 1.00 0.00 H new ATOM 307 N GLY A 19 -13.392 13.296 -5.431 1.00 0.00 N ATOM 308 CA GLY A 19 -14.274 14.375 -5.957 1.00 0.00 C ATOM 309 C GLY A 19 -15.739 13.973 -5.778 1.00 0.00 C ATOM 310 O GLY A 19 -16.600 14.804 -5.569 1.00 0.00 O ATOM 0 H GLY A 19 -12.933 12.725 -6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.076 15.309 -5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.061 14.551 -7.011 1.00 0.00 H new ATOM 314 N ARG A 20 -16.029 12.703 -5.859 1.00 0.00 N ATOM 315 CA ARG A 20 -17.440 12.251 -5.695 1.00 0.00 C ATOM 316 C ARG A 20 -17.979 12.743 -4.351 1.00 0.00 C ATOM 317 O ARG A 20 -18.834 13.605 -4.289 1.00 0.00 O ATOM 318 CB ARG A 20 -17.495 10.721 -5.741 1.00 0.00 C ATOM 319 CG ARG A 20 -16.908 10.230 -7.066 1.00 0.00 C ATOM 320 CD ARG A 20 -17.793 9.121 -7.641 1.00 0.00 C ATOM 321 NE ARG A 20 -17.570 9.019 -9.112 1.00 0.00 N ATOM 322 CZ ARG A 20 -16.727 8.142 -9.585 1.00 0.00 C ATOM 323 NH1 ARG A 20 -17.122 6.922 -9.828 1.00 0.00 N ATOM 324 NH2 ARG A 20 -15.490 8.484 -9.818 1.00 0.00 N ATOM 0 H ARG A 20 -15.351 11.960 -6.031 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.049 12.659 -6.501 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -16.936 10.301 -4.905 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.525 10.380 -5.639 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -16.838 11.057 -7.773 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.896 9.857 -6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -17.561 8.170 -7.161 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -18.842 9.335 -7.435 1.00 0.00 H new ATOM 0 HE ARG A 20 -18.076 9.635 -9.748 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.090 6.654 -9.648 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.463 6.237 -10.198 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.181 9.438 -9.631 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.832 7.798 -10.188 1.00 0.00 H new ATOM 338 N GLU A 21 -17.484 12.203 -3.275 1.00 0.00 N ATOM 339 CA GLU A 21 -17.964 12.637 -1.932 1.00 0.00 C ATOM 340 C GLU A 21 -16.778 13.136 -1.103 1.00 0.00 C ATOM 341 O GLU A 21 -15.713 13.404 -1.625 1.00 0.00 O ATOM 342 CB GLU A 21 -18.624 11.455 -1.218 1.00 0.00 C ATOM 343 CG GLU A 21 -20.128 11.708 -1.095 1.00 0.00 C ATOM 344 CD GLU A 21 -20.741 10.684 -0.138 1.00 0.00 C ATOM 345 OE1 GLU A 21 -20.038 9.762 0.239 1.00 0.00 O ATOM 346 OE2 GLU A 21 -21.902 10.841 0.202 1.00 0.00 O ATOM 0 H GLU A 21 -16.766 11.478 -3.266 1.00 0.00 H new ATOM 0 HA GLU A 21 -18.690 13.441 -2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.444 10.534 -1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.185 11.322 -0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -20.309 12.718 -0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.601 11.635 -2.074 1.00 0.00 H new ATOM 353 N GLY A 22 -16.952 13.265 0.184 1.00 0.00 N ATOM 354 CA GLY A 22 -15.834 13.748 1.043 1.00 0.00 C ATOM 355 C GLY A 22 -15.251 15.032 0.451 1.00 0.00 C ATOM 356 O GLY A 22 -15.682 15.501 -0.585 1.00 0.00 O ATOM 0 H GLY A 22 -17.820 13.057 0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.193 13.933 2.055 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.060 12.984 1.114 1.00 0.00 H new ATOM 360 N ASP A 23 -14.274 15.608 1.099 1.00 0.00 N ATOM 361 CA ASP A 23 -13.665 16.857 0.574 1.00 0.00 C ATOM 362 C ASP A 23 -12.885 16.546 -0.706 1.00 0.00 C ATOM 363 O ASP A 23 -13.126 15.554 -1.366 1.00 0.00 O ATOM 364 CB ASP A 23 -12.717 17.428 1.626 1.00 0.00 C ATOM 365 CG ASP A 23 -13.476 17.637 2.938 1.00 0.00 C ATOM 366 OD1 ASP A 23 -13.527 16.704 3.725 1.00 0.00 O ATOM 367 OD2 ASP A 23 -13.994 18.723 3.135 1.00 0.00 O ATOM 0 H ASP A 23 -13.873 15.264 1.971 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.446 17.584 0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.879 16.749 1.783 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.300 18.374 1.280 1.00 0.00 H new ATOM 372 N LYS A 24 -11.951 17.385 -1.061 1.00 0.00 N ATOM 373 CA LYS A 24 -11.156 17.136 -2.297 1.00 0.00 C ATOM 374 C LYS A 24 -9.865 16.397 -1.938 1.00 0.00 C ATOM 375 O LYS A 24 -9.014 16.172 -2.777 1.00 0.00 O ATOM 376 CB LYS A 24 -10.812 18.473 -2.960 1.00 0.00 C ATOM 377 CG LYS A 24 -12.100 19.163 -3.420 1.00 0.00 C ATOM 378 CD LYS A 24 -12.156 19.176 -4.950 1.00 0.00 C ATOM 379 CE LYS A 24 -12.617 20.554 -5.432 1.00 0.00 C ATOM 380 NZ LYS A 24 -11.715 21.028 -6.521 1.00 0.00 N ATOM 0 H LYS A 24 -11.704 18.232 -0.549 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.741 16.527 -2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.276 19.112 -2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.151 18.309 -3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.968 18.640 -3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.136 20.182 -3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.174 18.944 -5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.841 18.406 -5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.644 20.500 -5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.608 21.262 -4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.028 21.964 -6.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.742 21.095 -6.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.745 20.356 -7.314 1.00 0.00 H new ATOM 394 N HIS A 25 -9.710 16.012 -0.698 1.00 0.00 N ATOM 395 CA HIS A 25 -8.473 15.287 -0.290 1.00 0.00 C ATOM 396 C HIS A 25 -8.787 14.375 0.900 1.00 0.00 C ATOM 397 O HIS A 25 -7.932 14.081 1.712 1.00 0.00 O ATOM 398 CB HIS A 25 -7.398 16.299 0.112 1.00 0.00 C ATOM 399 CG HIS A 25 -7.222 17.307 -0.989 1.00 0.00 C ATOM 400 ND1 HIS A 25 -7.819 18.557 -0.947 1.00 0.00 N ATOM 401 CD2 HIS A 25 -6.521 17.265 -2.169 1.00 0.00 C ATOM 402 CE1 HIS A 25 -7.469 19.212 -2.070 1.00 0.00 C ATOM 403 NE2 HIS A 25 -6.678 18.468 -2.850 1.00 0.00 N ATOM 0 H HIS A 25 -10.387 16.169 0.049 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.111 14.686 -1.124 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -7.683 16.801 1.037 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -6.455 15.787 0.305 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.937 16.426 -2.516 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.788 20.215 -2.311 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -6.276 18.727 -3.751 1.00 0.00 H new ATOM 411 N LYS A 26 -10.007 13.925 1.007 1.00 0.00 N ATOM 412 CA LYS A 26 -10.380 13.033 2.140 1.00 0.00 C ATOM 413 C LYS A 26 -11.368 11.976 1.643 1.00 0.00 C ATOM 414 O LYS A 26 -12.270 12.265 0.882 1.00 0.00 O ATOM 415 CB LYS A 26 -11.040 13.860 3.249 1.00 0.00 C ATOM 416 CG LYS A 26 -10.249 15.153 3.469 1.00 0.00 C ATOM 417 CD LYS A 26 -8.982 14.849 4.272 1.00 0.00 C ATOM 418 CE LYS A 26 -9.246 15.101 5.758 1.00 0.00 C ATOM 419 NZ LYS A 26 -9.832 16.459 5.936 1.00 0.00 N ATOM 0 H LYS A 26 -10.763 14.138 0.357 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.486 12.549 2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.070 14.094 2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.077 13.283 4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.986 15.598 2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.863 15.881 4.000 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.680 13.813 4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.160 15.476 3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.927 14.345 6.150 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.317 15.017 6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.474 16.879 6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.563 17.061 5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.868 16.386 5.983 1.00 0.00 H new ATOM 433 N LEU A 27 -11.205 10.754 2.065 1.00 0.00 N ATOM 434 CA LEU A 27 -12.134 9.679 1.615 1.00 0.00 C ATOM 435 C LEU A 27 -13.254 9.509 2.646 1.00 0.00 C ATOM 436 O LEU A 27 -13.549 10.406 3.410 1.00 0.00 O ATOM 437 CB LEU A 27 -11.358 8.366 1.478 1.00 0.00 C ATOM 438 CG LEU A 27 -11.443 7.868 0.034 1.00 0.00 C ATOM 439 CD1 LEU A 27 -12.869 7.406 -0.268 1.00 0.00 C ATOM 440 CD2 LEU A 27 -11.063 9.004 -0.917 1.00 0.00 C ATOM 0 H LEU A 27 -10.468 10.452 2.703 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.568 9.948 0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.316 8.516 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.767 7.617 2.156 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.757 7.032 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.926 7.052 -1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.141 6.597 0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.558 8.240 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.123 8.652 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.750 9.839 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.045 9.332 -0.704 1.00 0.00 H new ATOM 452 N LYS A 28 -13.876 8.362 2.674 1.00 0.00 N ATOM 453 CA LYS A 28 -14.968 8.118 3.654 1.00 0.00 C ATOM 454 C LYS A 28 -14.993 6.628 3.983 1.00 0.00 C ATOM 455 O LYS A 28 -14.368 5.833 3.312 1.00 0.00 O ATOM 456 CB LYS A 28 -16.311 8.532 3.045 1.00 0.00 C ATOM 457 CG LYS A 28 -16.919 9.673 3.864 1.00 0.00 C ATOM 458 CD LYS A 28 -18.176 9.176 4.581 1.00 0.00 C ATOM 459 CE LYS A 28 -19.356 9.180 3.605 1.00 0.00 C ATOM 460 NZ LYS A 28 -20.057 10.492 3.678 1.00 0.00 N ATOM 0 H LYS A 28 -13.671 7.578 2.054 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.797 8.701 4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.170 8.848 2.011 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.992 7.681 3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.194 10.039 4.591 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.167 10.510 3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.013 8.170 4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.396 9.814 5.437 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.002 9.001 2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -20.046 8.373 3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -20.858 10.495 3.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -20.407 10.645 4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.396 11.254 3.425 1.00 0.00 H new ATOM 474 N LYS A 29 -15.705 6.232 4.999 1.00 0.00 N ATOM 475 CA LYS A 29 -15.753 4.779 5.328 1.00 0.00 C ATOM 476 C LYS A 29 -16.675 4.085 4.325 1.00 0.00 C ATOM 477 O LYS A 29 -16.487 2.935 3.985 1.00 0.00 O ATOM 478 CB LYS A 29 -16.262 4.602 6.768 1.00 0.00 C ATOM 479 CG LYS A 29 -17.249 3.424 6.888 1.00 0.00 C ATOM 480 CD LYS A 29 -18.646 3.792 6.344 1.00 0.00 C ATOM 481 CE LYS A 29 -18.929 5.295 6.496 1.00 0.00 C ATOM 482 NZ LYS A 29 -20.278 5.599 5.939 1.00 0.00 N ATOM 0 H LYS A 29 -16.250 6.841 5.610 1.00 0.00 H new ATOM 0 HA LYS A 29 -14.761 4.333 5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -15.416 4.436 7.434 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.750 5.520 7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.860 2.566 6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.333 3.124 7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -18.714 3.512 5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -19.407 3.221 6.876 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -18.883 5.581 7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -18.168 5.875 5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -20.237 6.482 5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -20.581 4.821 5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -20.959 5.706 6.718 1.00 0.00 H new ATOM 496 N SER A 30 -17.670 4.779 3.854 1.00 0.00 N ATOM 497 CA SER A 30 -18.607 4.163 2.870 1.00 0.00 C ATOM 498 C SER A 30 -17.969 4.171 1.479 1.00 0.00 C ATOM 499 O SER A 30 -18.253 3.327 0.652 1.00 0.00 O ATOM 500 CB SER A 30 -19.913 4.959 2.838 1.00 0.00 C ATOM 501 OG SER A 30 -20.984 4.124 3.260 1.00 0.00 O ATOM 0 H SER A 30 -17.877 5.745 4.106 1.00 0.00 H new ATOM 0 HA SER A 30 -18.816 3.135 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.837 5.830 3.489 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.101 5.330 1.831 1.00 0.00 H new ATOM 0 HG SER A 30 -21.822 4.632 3.242 1.00 0.00 H new ATOM 507 N GLU A 31 -17.097 5.107 1.215 1.00 0.00 N ATOM 508 CA GLU A 31 -16.437 5.152 -0.118 1.00 0.00 C ATOM 509 C GLU A 31 -15.165 4.313 -0.049 1.00 0.00 C ATOM 510 O GLU A 31 -14.661 3.840 -1.047 1.00 0.00 O ATOM 511 CB GLU A 31 -16.086 6.599 -0.470 1.00 0.00 C ATOM 512 CG GLU A 31 -16.010 6.751 -1.990 1.00 0.00 C ATOM 513 CD GLU A 31 -17.169 7.624 -2.475 1.00 0.00 C ATOM 514 OE1 GLU A 31 -18.068 7.872 -1.688 1.00 0.00 O ATOM 515 OE2 GLU A 31 -17.140 8.029 -3.625 1.00 0.00 O ATOM 0 H GLU A 31 -16.815 5.841 1.865 1.00 0.00 H new ATOM 0 HA GLU A 31 -17.105 4.758 -0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.838 7.276 -0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.133 6.873 -0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.059 7.201 -2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.054 5.772 -2.467 1.00 0.00 H new ATOM 522 N LEU A 32 -14.654 4.112 1.132 1.00 0.00 N ATOM 523 CA LEU A 32 -13.433 3.284 1.285 1.00 0.00 C ATOM 524 C LEU A 32 -13.857 1.816 1.279 1.00 0.00 C ATOM 525 O LEU A 32 -13.191 0.965 0.728 1.00 0.00 O ATOM 526 CB LEU A 32 -12.744 3.629 2.610 1.00 0.00 C ATOM 527 CG LEU A 32 -11.773 2.511 3.006 1.00 0.00 C ATOM 528 CD1 LEU A 32 -10.956 2.073 1.788 1.00 0.00 C ATOM 529 CD2 LEU A 32 -10.828 3.025 4.094 1.00 0.00 C ATOM 0 H LEU A 32 -15.033 4.489 2.001 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.733 3.475 0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.205 4.572 2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.491 3.767 3.392 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.340 1.659 3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.268 1.278 2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.628 1.706 1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.389 2.922 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.136 2.233 4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.266 3.879 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.408 3.330 4.965 1.00 0.00 H new ATOM 541 N LYS A 33 -14.978 1.526 1.883 1.00 0.00 N ATOM 542 CA LYS A 33 -15.476 0.127 1.917 1.00 0.00 C ATOM 543 C LYS A 33 -15.815 -0.303 0.495 1.00 0.00 C ATOM 544 O LYS A 33 -15.667 -1.448 0.123 1.00 0.00 O ATOM 545 CB LYS A 33 -16.734 0.072 2.781 1.00 0.00 C ATOM 546 CG LYS A 33 -16.801 -1.275 3.503 1.00 0.00 C ATOM 547 CD LYS A 33 -18.264 -1.684 3.685 1.00 0.00 C ATOM 548 CE LYS A 33 -18.344 -2.912 4.593 1.00 0.00 C ATOM 549 NZ LYS A 33 -19.477 -3.777 4.158 1.00 0.00 N ATOM 0 H LYS A 33 -15.572 2.206 2.357 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.719 -0.537 2.333 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.725 0.885 3.507 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -17.620 0.208 2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.269 -2.034 2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.309 -1.205 4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.831 -0.861 4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.714 -1.905 2.717 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.409 -3.470 4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.485 -2.603 5.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.087 -3.987 4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.031 -3.283 3.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.105 -4.666 3.767 1.00 0.00 H new ATOM 563 N GLU A 34 -16.262 0.622 -0.305 1.00 0.00 N ATOM 564 CA GLU A 34 -16.602 0.292 -1.713 1.00 0.00 C ATOM 565 C GLU A 34 -15.311 0.265 -2.522 1.00 0.00 C ATOM 566 O GLU A 34 -15.113 -0.562 -3.381 1.00 0.00 O ATOM 567 CB GLU A 34 -17.564 1.357 -2.266 1.00 0.00 C ATOM 568 CG GLU A 34 -16.792 2.587 -2.763 1.00 0.00 C ATOM 569 CD GLU A 34 -17.734 3.491 -3.561 1.00 0.00 C ATOM 570 OE1 GLU A 34 -18.730 2.987 -4.054 1.00 0.00 O ATOM 571 OE2 GLU A 34 -17.440 4.671 -3.667 1.00 0.00 O ATOM 0 H GLU A 34 -16.407 1.597 -0.042 1.00 0.00 H new ATOM 0 HA GLU A 34 -17.091 -0.680 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -18.149 0.935 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -18.269 1.654 -1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.375 3.134 -1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.954 2.276 -3.387 1.00 0.00 H new ATOM 578 N LEU A 35 -14.430 1.173 -2.234 1.00 0.00 N ATOM 579 CA LEU A 35 -13.131 1.225 -2.957 1.00 0.00 C ATOM 580 C LEU A 35 -12.502 -0.171 -2.956 1.00 0.00 C ATOM 581 O LEU A 35 -12.120 -0.698 -3.985 1.00 0.00 O ATOM 582 CB LEU A 35 -12.206 2.210 -2.233 1.00 0.00 C ATOM 583 CG LEU A 35 -11.511 3.116 -3.253 1.00 0.00 C ATOM 584 CD1 LEU A 35 -10.884 2.266 -4.361 1.00 0.00 C ATOM 585 CD2 LEU A 35 -12.536 4.073 -3.863 1.00 0.00 C ATOM 0 H LEU A 35 -14.553 1.891 -1.520 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.282 1.551 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.781 2.813 -1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.463 1.665 -1.652 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.728 3.687 -2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.391 2.916 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.152 1.585 -3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.662 1.690 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.043 4.719 -4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.319 3.500 -4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.978 4.684 -3.075 1.00 0.00 H new ATOM 597 N ILE A 36 -12.394 -0.773 -1.804 1.00 0.00 N ATOM 598 CA ILE A 36 -11.790 -2.134 -1.719 1.00 0.00 C ATOM 599 C ILE A 36 -12.830 -3.183 -2.119 1.00 0.00 C ATOM 600 O ILE A 36 -12.600 -4.025 -2.958 1.00 0.00 O ATOM 601 CB ILE A 36 -11.339 -2.404 -0.275 1.00 0.00 C ATOM 602 CG1 ILE A 36 -11.019 -1.069 0.426 1.00 0.00 C ATOM 603 CG2 ILE A 36 -10.102 -3.310 -0.288 1.00 0.00 C ATOM 604 CD1 ILE A 36 -9.988 -1.273 1.544 1.00 0.00 C ATOM 0 H ILE A 36 -12.699 -0.380 -0.914 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.934 -2.190 -2.391 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.138 -2.904 0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.636 -0.354 -0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.932 -0.643 0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.781 -3.502 0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.347 -4.254 -0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.297 -2.819 -0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.778 -0.317 2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.385 -1.970 2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.068 -1.677 1.121 1.00 0.00 H new ATOM 616 N ASN A 37 -13.972 -3.139 -1.506 1.00 0.00 N ATOM 617 CA ASN A 37 -15.042 -4.135 -1.814 1.00 0.00 C ATOM 618 C ASN A 37 -15.557 -3.980 -3.254 1.00 0.00 C ATOM 619 O ASN A 37 -16.415 -4.723 -3.689 1.00 0.00 O ATOM 620 CB ASN A 37 -16.205 -3.934 -0.843 1.00 0.00 C ATOM 621 CG ASN A 37 -17.116 -5.163 -0.877 1.00 0.00 C ATOM 622 OD1 ASN A 37 -18.006 -5.252 -1.700 1.00 0.00 O ATOM 623 ND2 ASN A 37 -16.929 -6.122 -0.012 1.00 0.00 N ATOM 0 H ASN A 37 -14.219 -2.450 -0.795 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.620 -5.134 -1.708 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.826 -3.776 0.167 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.769 -3.042 -1.115 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.530 -6.946 -0.027 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.182 -6.047 0.679 1.00 0.00 H new ATOM 630 N ASN A 38 -15.053 -3.037 -3.999 1.00 0.00 N ATOM 631 CA ASN A 38 -15.535 -2.867 -5.400 1.00 0.00 C ATOM 632 C ASN A 38 -14.535 -3.511 -6.360 1.00 0.00 C ATOM 633 O ASN A 38 -14.907 -4.201 -7.289 1.00 0.00 O ATOM 634 CB ASN A 38 -15.665 -1.377 -5.726 1.00 0.00 C ATOM 635 CG ASN A 38 -16.176 -1.208 -7.158 1.00 0.00 C ATOM 636 OD1 ASN A 38 -17.354 -1.353 -7.416 1.00 0.00 O ATOM 637 ND2 ASN A 38 -15.333 -0.903 -8.107 1.00 0.00 N ATOM 0 H ASN A 38 -14.332 -2.379 -3.702 1.00 0.00 H new ATOM 0 HA ASN A 38 -16.509 -3.345 -5.507 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.350 -0.900 -5.026 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -14.699 -0.884 -5.613 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -15.664 -0.787 -9.065 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -14.344 -0.781 -7.891 1.00 0.00 H new ATOM 644 N GLU A 39 -13.267 -3.292 -6.143 1.00 0.00 N ATOM 645 CA GLU A 39 -12.246 -3.893 -7.044 1.00 0.00 C ATOM 646 C GLU A 39 -11.366 -4.858 -6.243 1.00 0.00 C ATOM 647 O GLU A 39 -10.951 -5.891 -6.734 1.00 0.00 O ATOM 648 CB GLU A 39 -11.378 -2.781 -7.635 1.00 0.00 C ATOM 649 CG GLU A 39 -10.489 -3.359 -8.737 1.00 0.00 C ATOM 650 CD GLU A 39 -11.346 -3.718 -9.951 1.00 0.00 C ATOM 651 OE1 GLU A 39 -12.404 -3.127 -10.101 1.00 0.00 O ATOM 652 OE2 GLU A 39 -10.931 -4.576 -10.713 1.00 0.00 O ATOM 0 H GLU A 39 -12.895 -2.724 -5.382 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.741 -4.437 -7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.008 -1.989 -8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.763 -2.332 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.725 -2.634 -9.020 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.969 -4.244 -8.372 1.00 0.00 H new ATOM 659 N LEU A 40 -11.077 -4.524 -5.017 1.00 0.00 N ATOM 660 CA LEU A 40 -10.224 -5.405 -4.175 1.00 0.00 C ATOM 661 C LEU A 40 -11.023 -6.635 -3.730 1.00 0.00 C ATOM 662 O LEU A 40 -10.467 -7.642 -3.340 1.00 0.00 O ATOM 663 CB LEU A 40 -9.776 -4.615 -2.939 1.00 0.00 C ATOM 664 CG LEU A 40 -8.690 -3.588 -3.301 1.00 0.00 C ATOM 665 CD1 LEU A 40 -7.322 -4.206 -3.055 1.00 0.00 C ATOM 666 CD2 LEU A 40 -8.798 -3.169 -4.775 1.00 0.00 C ATOM 0 H LEU A 40 -11.398 -3.671 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.357 -5.734 -4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.633 -4.103 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.394 -5.302 -2.184 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.826 -2.703 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.546 -3.484 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.231 -4.482 -2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.208 -5.095 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.019 -2.442 -5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.677 -4.045 -5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.776 -2.722 -4.955 1.00 0.00 H new ATOM 678 N SER A 41 -12.323 -6.554 -3.781 1.00 0.00 N ATOM 679 CA SER A 41 -13.166 -7.709 -3.354 1.00 0.00 C ATOM 680 C SER A 41 -13.043 -8.848 -4.372 1.00 0.00 C ATOM 681 O SER A 41 -13.507 -9.947 -4.142 1.00 0.00 O ATOM 682 CB SER A 41 -14.626 -7.261 -3.260 1.00 0.00 C ATOM 683 OG SER A 41 -15.470 -8.287 -3.769 1.00 0.00 O ATOM 0 H SER A 41 -12.841 -5.736 -4.101 1.00 0.00 H new ATOM 0 HA SER A 41 -12.828 -8.063 -2.380 1.00 0.00 H new ATOM 0 HB2 SER A 41 -14.885 -7.043 -2.224 1.00 0.00 H new ATOM 0 HB3 SER A 41 -14.772 -6.341 -3.826 1.00 0.00 H new ATOM 0 HG SER A 41 -15.007 -9.149 -3.715 1.00 0.00 H new ATOM 689 N HIS A 42 -12.424 -8.599 -5.494 1.00 0.00 N ATOM 690 CA HIS A 42 -12.280 -9.677 -6.514 1.00 0.00 C ATOM 691 C HIS A 42 -11.025 -10.501 -6.215 1.00 0.00 C ATOM 692 O HIS A 42 -10.534 -11.230 -7.054 1.00 0.00 O ATOM 693 CB HIS A 42 -12.162 -9.054 -7.907 1.00 0.00 C ATOM 694 CG HIS A 42 -12.796 -9.970 -8.919 1.00 0.00 C ATOM 695 ND1 HIS A 42 -14.088 -9.777 -9.385 1.00 0.00 N ATOM 696 CD2 HIS A 42 -12.329 -11.091 -9.562 1.00 0.00 C ATOM 697 CE1 HIS A 42 -14.352 -10.759 -10.267 1.00 0.00 C ATOM 698 NE2 HIS A 42 -13.313 -11.587 -10.413 1.00 0.00 N ATOM 0 H HIS A 42 -12.014 -7.700 -5.748 1.00 0.00 H new ATOM 0 HA HIS A 42 -13.156 -10.325 -6.480 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -12.651 -8.080 -7.925 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -11.114 -8.889 -8.156 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -11.348 -11.522 -9.428 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -15.289 -10.865 -10.793 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -13.254 -12.406 -11.018 1.00 0.00 H new ATOM 706 N PHE A 43 -10.505 -10.396 -5.022 1.00 0.00 N ATOM 707 CA PHE A 43 -9.286 -11.174 -4.665 1.00 0.00 C ATOM 708 C PHE A 43 -9.503 -11.866 -3.319 1.00 0.00 C ATOM 709 O PHE A 43 -8.866 -11.545 -2.334 1.00 0.00 O ATOM 710 CB PHE A 43 -8.087 -10.228 -4.566 1.00 0.00 C ATOM 711 CG PHE A 43 -7.942 -9.467 -5.861 1.00 0.00 C ATOM 712 CD1 PHE A 43 -7.767 -10.159 -7.065 1.00 0.00 C ATOM 713 CD2 PHE A 43 -7.983 -8.067 -5.858 1.00 0.00 C ATOM 714 CE1 PHE A 43 -7.632 -9.453 -8.267 1.00 0.00 C ATOM 715 CE2 PHE A 43 -7.848 -7.360 -7.060 1.00 0.00 C ATOM 716 CZ PHE A 43 -7.672 -8.054 -8.264 1.00 0.00 C ATOM 0 H PHE A 43 -10.873 -9.803 -4.278 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.093 -11.923 -5.433 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.225 -9.534 -3.737 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.179 -10.794 -4.360 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.736 -11.239 -7.067 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.119 -7.533 -4.929 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.497 -9.988 -9.196 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.880 -6.280 -7.058 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.567 -7.509 -9.191 1.00 0.00 H new ATOM 726 N LEU A 44 -10.400 -12.813 -3.267 1.00 0.00 N ATOM 727 CA LEU A 44 -10.659 -13.522 -1.984 1.00 0.00 C ATOM 728 C LEU A 44 -10.936 -15.007 -2.267 1.00 0.00 C ATOM 729 O LEU A 44 -10.121 -15.689 -2.855 1.00 0.00 O ATOM 730 CB LEU A 44 -11.860 -12.879 -1.286 1.00 0.00 C ATOM 731 CG LEU A 44 -11.514 -11.440 -0.896 1.00 0.00 C ATOM 732 CD1 LEU A 44 -11.736 -10.518 -2.096 1.00 0.00 C ATOM 733 CD2 LEU A 44 -12.413 -10.995 0.262 1.00 0.00 C ATOM 0 H LEU A 44 -10.964 -13.125 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.788 -13.445 -1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.727 -12.889 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.129 -13.453 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.470 -11.389 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.490 -9.493 -1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.097 -10.834 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -12.780 -10.569 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.167 -9.970 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.457 -11.047 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.255 -11.651 1.118 1.00 0.00 H new ATOM 745 N GLU A 45 -12.069 -15.520 -1.853 1.00 0.00 N ATOM 746 CA GLU A 45 -12.368 -16.960 -2.103 1.00 0.00 C ATOM 747 C GLU A 45 -11.428 -17.826 -1.260 1.00 0.00 C ATOM 748 O GLU A 45 -11.402 -19.033 -1.386 1.00 0.00 O ATOM 749 CB GLU A 45 -12.166 -17.277 -3.586 1.00 0.00 C ATOM 750 CG GLU A 45 -12.891 -16.232 -4.437 1.00 0.00 C ATOM 751 CD GLU A 45 -13.443 -16.896 -5.700 1.00 0.00 C ATOM 752 OE1 GLU A 45 -14.327 -17.727 -5.571 1.00 0.00 O ATOM 753 OE2 GLU A 45 -12.971 -16.563 -6.775 1.00 0.00 O ATOM 0 H GLU A 45 -12.795 -15.005 -1.355 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.402 -17.170 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.103 -17.282 -3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.548 -18.273 -3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.703 -15.782 -3.866 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.206 -15.428 -4.706 1.00 0.00 H new ATOM 760 N GLU A 46 -10.657 -17.214 -0.399 1.00 0.00 N ATOM 761 CA GLU A 46 -9.716 -17.988 0.457 1.00 0.00 C ATOM 762 C GLU A 46 -9.238 -17.090 1.601 1.00 0.00 C ATOM 763 O GLU A 46 -8.135 -17.229 2.095 1.00 0.00 O ATOM 764 CB GLU A 46 -8.510 -18.434 -0.376 1.00 0.00 C ATOM 765 CG GLU A 46 -8.911 -19.606 -1.277 1.00 0.00 C ATOM 766 CD GLU A 46 -7.692 -20.493 -1.539 1.00 0.00 C ATOM 767 OE1 GLU A 46 -6.835 -20.560 -0.673 1.00 0.00 O ATOM 768 OE2 GLU A 46 -7.637 -21.091 -2.601 1.00 0.00 O ATOM 0 H GLU A 46 -10.641 -16.205 -0.253 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.220 -18.867 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.147 -17.604 -0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.692 -18.730 0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.702 -20.188 -0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.311 -19.233 -2.220 1.00 0.00 H new ATOM 775 N ILE A 47 -10.058 -16.162 2.015 1.00 0.00 N ATOM 776 CA ILE A 47 -9.658 -15.242 3.118 1.00 0.00 C ATOM 777 C ILE A 47 -8.942 -16.026 4.220 1.00 0.00 C ATOM 778 O ILE A 47 -9.461 -16.989 4.748 1.00 0.00 O ATOM 779 CB ILE A 47 -10.903 -14.569 3.697 1.00 0.00 C ATOM 780 CG1 ILE A 47 -11.530 -13.661 2.635 1.00 0.00 C ATOM 781 CG2 ILE A 47 -10.509 -13.729 4.915 1.00 0.00 C ATOM 782 CD1 ILE A 47 -12.993 -13.389 2.993 1.00 0.00 C ATOM 0 H ILE A 47 -10.991 -16.001 1.635 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.982 -14.484 2.723 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.622 -15.331 3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.979 -12.722 2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.466 -14.133 1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.396 -13.249 5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.059 -14.373 5.671 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.791 -12.966 4.614 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.439 -12.743 2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.539 -14.331 3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -13.045 -12.899 3.965 1.00 0.00 H new ATOM 794 N LYS A 48 -7.755 -15.615 4.572 1.00 0.00 N ATOM 795 CA LYS A 48 -7.003 -16.329 5.641 1.00 0.00 C ATOM 796 C LYS A 48 -6.769 -15.376 6.817 1.00 0.00 C ATOM 797 O LYS A 48 -6.983 -15.725 7.961 1.00 0.00 O ATOM 798 CB LYS A 48 -5.659 -16.810 5.090 1.00 0.00 C ATOM 799 CG LYS A 48 -5.151 -17.982 5.932 1.00 0.00 C ATOM 800 CD LYS A 48 -4.916 -19.196 5.029 1.00 0.00 C ATOM 801 CE LYS A 48 -3.456 -19.217 4.574 1.00 0.00 C ATOM 802 NZ LYS A 48 -3.281 -20.254 3.517 1.00 0.00 N ATOM 0 H LYS A 48 -7.273 -14.814 4.164 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.579 -17.190 5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.769 -17.117 4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.935 -15.996 5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.225 -17.706 6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.876 -18.227 6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.154 -20.114 5.566 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.577 -19.153 4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.169 -18.238 4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.803 -19.431 5.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.359 -20.125 3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.323 -21.200 3.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.039 -20.162 2.811 1.00 0.00 H new ATOM 816 N GLU A 49 -6.337 -14.172 6.547 1.00 0.00 N ATOM 817 CA GLU A 49 -6.101 -13.203 7.656 1.00 0.00 C ATOM 818 C GLU A 49 -7.446 -12.647 8.126 1.00 0.00 C ATOM 819 O GLU A 49 -7.846 -11.562 7.753 1.00 0.00 O ATOM 820 CB GLU A 49 -5.218 -12.054 7.163 1.00 0.00 C ATOM 821 CG GLU A 49 -3.750 -12.394 7.420 1.00 0.00 C ATOM 822 CD GLU A 49 -3.428 -12.168 8.899 1.00 0.00 C ATOM 823 OE1 GLU A 49 -4.169 -11.440 9.541 1.00 0.00 O ATOM 824 OE2 GLU A 49 -2.448 -12.725 9.364 1.00 0.00 O ATOM 0 H GLU A 49 -6.138 -13.820 5.611 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.600 -13.709 8.481 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.383 -11.885 6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.484 -11.130 7.677 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.552 -13.431 7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.107 -11.772 6.797 1.00 0.00 H new ATOM 831 N GLN A 50 -8.147 -13.386 8.937 1.00 0.00 N ATOM 832 CA GLN A 50 -9.470 -12.911 9.429 1.00 0.00 C ATOM 833 C GLN A 50 -9.286 -11.657 10.284 1.00 0.00 C ATOM 834 O GLN A 50 -10.167 -10.831 10.379 1.00 0.00 O ATOM 835 CB GLN A 50 -10.120 -14.013 10.270 1.00 0.00 C ATOM 836 CG GLN A 50 -11.404 -13.483 10.917 1.00 0.00 C ATOM 837 CD GLN A 50 -11.765 -14.358 12.120 1.00 0.00 C ATOM 838 OE1 GLN A 50 -11.051 -15.285 12.447 1.00 0.00 O ATOM 839 NE2 GLN A 50 -12.851 -14.101 12.798 1.00 0.00 N ATOM 0 H GLN A 50 -7.860 -14.302 9.282 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.108 -12.672 8.578 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.347 -14.875 9.643 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.427 -14.352 11.040 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.265 -12.449 11.234 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.218 -13.488 10.192 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.451 -13.323 12.524 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.099 -14.678 13.601 1.00 0.00 H new ATOM 848 N GLU A 51 -8.156 -11.511 10.917 1.00 0.00 N ATOM 849 CA GLU A 51 -7.939 -10.310 11.777 1.00 0.00 C ATOM 850 C GLU A 51 -7.614 -9.089 10.912 1.00 0.00 C ATOM 851 O GLU A 51 -7.980 -7.977 11.237 1.00 0.00 O ATOM 852 CB GLU A 51 -6.776 -10.577 12.736 1.00 0.00 C ATOM 853 CG GLU A 51 -7.302 -10.655 14.171 1.00 0.00 C ATOM 854 CD GLU A 51 -6.319 -9.952 15.111 1.00 0.00 C ATOM 855 OE1 GLU A 51 -5.137 -9.957 14.809 1.00 0.00 O ATOM 856 OE2 GLU A 51 -6.766 -9.423 16.116 1.00 0.00 O ATOM 0 H GLU A 51 -7.376 -12.167 10.878 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.849 -10.110 12.343 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.278 -11.509 12.469 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.033 -9.784 12.653 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.284 -10.186 14.236 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.426 -11.696 14.469 1.00 0.00 H new ATOM 863 N VAL A 52 -6.923 -9.279 9.823 1.00 0.00 N ATOM 864 CA VAL A 52 -6.573 -8.118 8.956 1.00 0.00 C ATOM 865 C VAL A 52 -7.820 -7.609 8.233 1.00 0.00 C ATOM 866 O VAL A 52 -8.072 -6.422 8.177 1.00 0.00 O ATOM 867 CB VAL A 52 -5.528 -8.550 7.925 1.00 0.00 C ATOM 868 CG1 VAL A 52 -5.220 -7.383 6.988 1.00 0.00 C ATOM 869 CG2 VAL A 52 -4.247 -8.972 8.644 1.00 0.00 C ATOM 0 H VAL A 52 -6.586 -10.184 9.496 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.169 -7.318 9.577 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.917 -9.388 7.347 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.476 -7.692 6.254 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.132 -7.079 6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.833 -6.544 7.567 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.502 -9.280 7.910 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.861 -8.133 9.222 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.463 -9.805 9.313 1.00 0.00 H new ATOM 879 N VAL A 53 -8.599 -8.490 7.672 1.00 0.00 N ATOM 880 CA VAL A 53 -9.821 -8.040 6.951 1.00 0.00 C ATOM 881 C VAL A 53 -10.913 -7.693 7.957 1.00 0.00 C ATOM 882 O VAL A 53 -11.740 -6.837 7.715 1.00 0.00 O ATOM 883 CB VAL A 53 -10.312 -9.154 6.025 1.00 0.00 C ATOM 884 CG1 VAL A 53 -11.621 -8.723 5.359 1.00 0.00 C ATOM 885 CG2 VAL A 53 -9.259 -9.427 4.949 1.00 0.00 C ATOM 0 H VAL A 53 -8.444 -9.498 7.681 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.583 -7.157 6.358 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.480 -10.061 6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.972 -9.516 4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.372 -8.529 6.125 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.452 -7.816 4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.610 -10.221 4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.090 -8.521 4.367 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.326 -9.734 5.422 1.00 0.00 H new ATOM 895 N ASP A 54 -10.926 -8.341 9.088 1.00 0.00 N ATOM 896 CA ASP A 54 -11.970 -8.023 10.095 1.00 0.00 C ATOM 897 C ASP A 54 -11.553 -6.776 10.866 1.00 0.00 C ATOM 898 O ASP A 54 -12.362 -6.136 11.498 1.00 0.00 O ATOM 899 CB ASP A 54 -12.139 -9.192 11.067 1.00 0.00 C ATOM 900 CG ASP A 54 -12.687 -10.406 10.314 1.00 0.00 C ATOM 901 OD1 ASP A 54 -12.332 -10.572 9.158 1.00 0.00 O ATOM 902 OD2 ASP A 54 -13.451 -11.150 10.906 1.00 0.00 O ATOM 0 H ASP A 54 -10.265 -9.070 9.355 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.919 -7.847 9.588 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.182 -9.438 11.527 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.818 -8.914 11.873 1.00 0.00 H new ATOM 907 N LYS A 55 -10.297 -6.418 10.822 1.00 0.00 N ATOM 908 CA LYS A 55 -9.859 -5.204 11.560 1.00 0.00 C ATOM 909 C LYS A 55 -10.217 -3.960 10.748 1.00 0.00 C ATOM 910 O LYS A 55 -10.733 -2.994 11.275 1.00 0.00 O ATOM 911 CB LYS A 55 -8.348 -5.260 11.789 1.00 0.00 C ATOM 912 CG LYS A 55 -7.860 -3.915 12.329 1.00 0.00 C ATOM 913 CD LYS A 55 -6.784 -3.358 11.397 1.00 0.00 C ATOM 914 CE LYS A 55 -5.966 -2.297 12.137 1.00 0.00 C ATOM 915 NZ LYS A 55 -5.316 -1.392 11.148 1.00 0.00 N ATOM 0 H LYS A 55 -9.564 -6.910 10.311 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.364 -5.161 12.525 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.106 -6.055 12.494 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.837 -5.495 10.855 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.693 -3.215 12.401 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.458 -4.038 13.335 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.132 -4.162 11.055 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.246 -2.923 10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.612 -1.723 12.802 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.210 -2.775 12.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.283 -1.448 11.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.583 -1.681 10.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.628 -0.414 11.315 1.00 0.00 H new ATOM 929 N VAL A 56 -9.965 -3.973 9.467 1.00 0.00 N ATOM 930 CA VAL A 56 -10.313 -2.788 8.641 1.00 0.00 C ATOM 931 C VAL A 56 -11.803 -2.836 8.320 1.00 0.00 C ATOM 932 O VAL A 56 -12.468 -1.823 8.217 1.00 0.00 O ATOM 933 CB VAL A 56 -9.510 -2.817 7.339 1.00 0.00 C ATOM 934 CG1 VAL A 56 -8.076 -2.353 7.604 1.00 0.00 C ATOM 935 CG2 VAL A 56 -9.482 -4.239 6.775 1.00 0.00 C ATOM 0 H VAL A 56 -9.536 -4.748 8.962 1.00 0.00 H new ATOM 0 HA VAL A 56 -10.078 -1.874 9.186 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.983 -2.150 6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.508 -2.376 6.674 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.089 -1.336 7.996 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.607 -3.016 8.331 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.909 -4.252 5.848 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.017 -4.908 7.499 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.501 -4.572 6.576 1.00 0.00 H new ATOM 945 N MET A 57 -12.326 -4.015 8.166 1.00 0.00 N ATOM 946 CA MET A 57 -13.770 -4.167 7.855 1.00 0.00 C ATOM 947 C MET A 57 -14.594 -3.903 9.113 1.00 0.00 C ATOM 948 O MET A 57 -15.760 -3.585 9.039 1.00 0.00 O ATOM 949 CB MET A 57 -14.026 -5.595 7.381 1.00 0.00 C ATOM 950 CG MET A 57 -15.416 -5.688 6.752 1.00 0.00 C ATOM 951 SD MET A 57 -15.267 -6.215 5.026 1.00 0.00 S ATOM 952 CE MET A 57 -14.180 -4.880 4.469 1.00 0.00 C ATOM 0 H MET A 57 -11.809 -4.891 8.243 1.00 0.00 H new ATOM 0 HA MET A 57 -14.055 -3.457 7.078 1.00 0.00 H new ATOM 0 HB2 MET A 57 -13.268 -5.889 6.655 1.00 0.00 H new ATOM 0 HB3 MET A 57 -13.949 -6.286 8.220 1.00 0.00 H new ATOM 0 HG2 MET A 57 -16.031 -6.396 7.307 1.00 0.00 H new ATOM 0 HG3 MET A 57 -15.916 -4.721 6.806 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.317 -4.722 3.399 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.425 -3.963 5.005 1.00 0.00 H new ATOM 0 HE3 MET A 57 -13.142 -5.149 4.666 1.00 0.00 H new ATOM 962 N GLU A 58 -14.008 -4.039 10.271 1.00 0.00 N ATOM 963 CA GLU A 58 -14.795 -3.783 11.515 1.00 0.00 C ATOM 964 C GLU A 58 -14.876 -2.280 11.764 1.00 0.00 C ATOM 965 O GLU A 58 -15.930 -1.755 12.056 1.00 0.00 O ATOM 966 CB GLU A 58 -14.139 -4.461 12.722 1.00 0.00 C ATOM 967 CG GLU A 58 -14.751 -5.850 12.926 1.00 0.00 C ATOM 968 CD GLU A 58 -14.727 -6.204 14.415 1.00 0.00 C ATOM 969 OE1 GLU A 58 -15.629 -5.780 15.120 1.00 0.00 O ATOM 970 OE2 GLU A 58 -13.807 -6.892 14.824 1.00 0.00 O ATOM 0 H GLU A 58 -13.035 -4.311 10.411 1.00 0.00 H new ATOM 0 HA GLU A 58 -15.796 -4.195 11.384 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.064 -4.546 12.564 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -14.283 -3.854 13.616 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -15.775 -5.866 12.554 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.193 -6.592 12.356 1.00 0.00 H new ATOM 977 N THR A 59 -13.786 -1.572 11.641 1.00 0.00 N ATOM 978 CA THR A 59 -13.848 -0.100 11.859 1.00 0.00 C ATOM 979 C THR A 59 -14.665 0.503 10.722 1.00 0.00 C ATOM 980 O THR A 59 -15.300 1.532 10.857 1.00 0.00 O ATOM 981 CB THR A 59 -12.433 0.487 11.850 1.00 0.00 C ATOM 982 OG1 THR A 59 -11.681 -0.077 12.916 1.00 0.00 O ATOM 983 CG2 THR A 59 -12.508 2.005 12.023 1.00 0.00 C ATOM 0 H THR A 59 -12.867 -1.944 11.402 1.00 0.00 H new ATOM 0 HA THR A 59 -14.308 0.125 12.821 1.00 0.00 H new ATOM 0 HB THR A 59 -11.949 0.255 10.901 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.775 0.296 12.910 1.00 0.00 H new ATOM 0 HG21 THR A 59 -11.501 2.422 12.017 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.085 2.436 11.205 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.992 2.240 12.971 1.00 0.00 H new ATOM 991 N LEU A 60 -14.650 -0.157 9.598 1.00 0.00 N ATOM 992 CA LEU A 60 -15.413 0.321 8.417 1.00 0.00 C ATOM 993 C LEU A 60 -16.913 0.144 8.672 1.00 0.00 C ATOM 994 O LEU A 60 -17.672 1.098 8.697 1.00 0.00 O ATOM 995 CB LEU A 60 -14.996 -0.522 7.205 1.00 0.00 C ATOM 996 CG LEU A 60 -13.804 0.133 6.503 1.00 0.00 C ATOM 997 CD1 LEU A 60 -13.306 -0.781 5.382 1.00 0.00 C ATOM 998 CD2 LEU A 60 -14.235 1.474 5.907 1.00 0.00 C ATOM 0 H LEU A 60 -14.131 -1.022 9.448 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.206 1.375 8.234 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.732 -1.530 7.525 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.831 -0.616 6.511 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.004 0.295 7.225 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.457 -0.314 4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.998 -1.738 5.803 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.108 -0.943 4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.386 1.940 5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.036 1.311 5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.591 2.128 6.703 1.00 0.00 H new ATOM 1010 N ASP A 61 -17.337 -1.079 8.855 1.00 0.00 N ATOM 1011 CA ASP A 61 -18.780 -1.364 9.098 1.00 0.00 C ATOM 1012 C ASP A 61 -19.166 -0.969 10.523 1.00 0.00 C ATOM 1013 O ASP A 61 -20.325 -0.988 10.886 1.00 0.00 O ATOM 1014 CB ASP A 61 -19.031 -2.862 8.908 1.00 0.00 C ATOM 1015 CG ASP A 61 -20.345 -3.070 8.150 1.00 0.00 C ATOM 1016 OD1 ASP A 61 -21.377 -2.695 8.682 1.00 0.00 O ATOM 1017 OD2 ASP A 61 -20.295 -3.599 7.052 1.00 0.00 O ATOM 0 H ASP A 61 -16.735 -1.903 8.846 1.00 0.00 H new ATOM 0 HA ASP A 61 -19.381 -0.787 8.395 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -18.206 -3.312 8.356 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -19.076 -3.359 9.877 1.00 0.00 H new ATOM 1022 N GLU A 62 -18.213 -0.609 11.335 1.00 0.00 N ATOM 1023 CA GLU A 62 -18.550 -0.216 12.730 1.00 0.00 C ATOM 1024 C GLU A 62 -19.221 1.152 12.706 1.00 0.00 C ATOM 1025 O GLU A 62 -20.343 1.314 13.142 1.00 0.00 O ATOM 1026 CB GLU A 62 -17.277 -0.154 13.580 1.00 0.00 C ATOM 1027 CG GLU A 62 -17.576 0.560 14.901 1.00 0.00 C ATOM 1028 CD GLU A 62 -17.253 -0.373 16.071 1.00 0.00 C ATOM 1029 OE1 GLU A 62 -17.956 -1.358 16.229 1.00 0.00 O ATOM 1030 OE2 GLU A 62 -16.309 -0.085 16.788 1.00 0.00 O ATOM 0 H GLU A 62 -17.222 -0.570 11.096 1.00 0.00 H new ATOM 0 HA GLU A 62 -19.225 -0.953 13.166 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.908 -1.161 13.775 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.492 0.374 13.039 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.984 1.472 14.976 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.624 0.856 14.937 1.00 0.00 H new ATOM 1037 N ASP A 63 -18.541 2.134 12.189 1.00 0.00 N ATOM 1038 CA ASP A 63 -19.136 3.496 12.125 1.00 0.00 C ATOM 1039 C ASP A 63 -18.102 4.478 11.580 1.00 0.00 C ATOM 1040 O ASP A 63 -17.679 5.386 12.268 1.00 0.00 O ATOM 1041 CB ASP A 63 -19.562 3.941 13.528 1.00 0.00 C ATOM 1042 CG ASP A 63 -20.188 5.335 13.450 1.00 0.00 C ATOM 1043 OD1 ASP A 63 -21.347 5.422 13.082 1.00 0.00 O ATOM 1044 OD2 ASP A 63 -19.497 6.291 13.763 1.00 0.00 O ATOM 0 H ASP A 63 -17.598 2.053 11.808 1.00 0.00 H new ATOM 0 HA ASP A 63 -20.007 3.476 11.470 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -20.277 3.232 13.945 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -18.700 3.954 14.195 1.00 0.00 H new ATOM 1049 N GLY A 64 -17.694 4.320 10.349 1.00 0.00 N ATOM 1050 CA GLY A 64 -16.696 5.269 9.786 1.00 0.00 C ATOM 1051 C GLY A 64 -17.438 6.422 9.108 1.00 0.00 C ATOM 1052 O GLY A 64 -16.897 7.122 8.276 1.00 0.00 O ATOM 0 H GLY A 64 -18.006 3.583 9.717 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -16.050 5.650 10.577 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -16.054 4.759 9.067 1.00 0.00 H new ATOM 1056 N ASP A 65 -18.684 6.609 9.466 1.00 0.00 N ATOM 1057 CA ASP A 65 -19.518 7.701 8.872 1.00 0.00 C ATOM 1058 C ASP A 65 -18.673 8.946 8.579 1.00 0.00 C ATOM 1059 O ASP A 65 -19.011 9.737 7.720 1.00 0.00 O ATOM 1060 CB ASP A 65 -20.635 8.068 9.853 1.00 0.00 C ATOM 1061 CG ASP A 65 -21.430 9.252 9.300 1.00 0.00 C ATOM 1062 OD1 ASP A 65 -21.053 10.377 9.581 1.00 0.00 O ATOM 1063 OD2 ASP A 65 -22.405 9.012 8.604 1.00 0.00 O ATOM 0 H ASP A 65 -19.169 6.039 10.159 1.00 0.00 H new ATOM 0 HA ASP A 65 -19.939 7.343 7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -21.294 7.214 10.007 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -20.211 8.323 10.825 1.00 0.00 H new ATOM 1068 N GLY A 66 -17.584 9.139 9.270 1.00 0.00 N ATOM 1069 CA GLY A 66 -16.752 10.338 9.000 1.00 0.00 C ATOM 1070 C GLY A 66 -15.771 10.030 7.863 1.00 0.00 C ATOM 1071 O GLY A 66 -15.651 8.905 7.407 1.00 0.00 O ATOM 0 H GLY A 66 -17.238 8.521 10.004 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.387 11.182 8.729 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.206 10.626 9.899 1.00 0.00 H new ATOM 1075 N GLU A 67 -15.092 11.034 7.387 1.00 0.00 N ATOM 1076 CA GLU A 67 -14.137 10.838 6.260 1.00 0.00 C ATOM 1077 C GLU A 67 -12.850 10.173 6.750 1.00 0.00 C ATOM 1078 O GLU A 67 -12.502 10.230 7.913 1.00 0.00 O ATOM 1079 CB GLU A 67 -13.801 12.194 5.641 1.00 0.00 C ATOM 1080 CG GLU A 67 -15.094 12.973 5.399 1.00 0.00 C ATOM 1081 CD GLU A 67 -14.805 14.474 5.452 1.00 0.00 C ATOM 1082 OE1 GLU A 67 -13.639 14.833 5.409 1.00 0.00 O ATOM 1083 OE2 GLU A 67 -15.752 15.239 5.534 1.00 0.00 O ATOM 0 H GLU A 67 -15.158 11.991 7.733 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.603 10.191 5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.143 12.756 6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.265 12.055 4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.515 12.707 4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.836 12.708 6.152 1.00 0.00 H new ATOM 1090 N CYS A 68 -12.140 9.550 5.850 1.00 0.00 N ATOM 1091 CA CYS A 68 -10.866 8.874 6.212 1.00 0.00 C ATOM 1092 C CYS A 68 -9.706 9.643 5.576 1.00 0.00 C ATOM 1093 O CYS A 68 -9.910 10.502 4.741 1.00 0.00 O ATOM 1094 CB CYS A 68 -10.898 7.442 5.675 1.00 0.00 C ATOM 1095 SG CYS A 68 -11.936 6.417 6.749 1.00 0.00 S ATOM 0 H CYS A 68 -12.394 9.481 4.865 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.738 8.851 7.294 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.288 7.433 4.657 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -9.888 7.036 5.632 1.00 0.00 H new ATOM 0 HG CYS A 68 -11.228 5.441 7.234 1.00 0.00 H new ATOM 1101 N ASP A 69 -8.492 9.352 5.955 1.00 0.00 N ATOM 1102 CA ASP A 69 -7.344 10.088 5.355 1.00 0.00 C ATOM 1103 C ASP A 69 -6.710 9.232 4.260 1.00 0.00 C ATOM 1104 O ASP A 69 -7.098 8.103 4.036 1.00 0.00 O ATOM 1105 CB ASP A 69 -6.306 10.388 6.438 1.00 0.00 C ATOM 1106 CG ASP A 69 -6.864 11.433 7.405 1.00 0.00 C ATOM 1107 OD1 ASP A 69 -7.979 11.879 7.186 1.00 0.00 O ATOM 1108 OD2 ASP A 69 -6.168 11.770 8.349 1.00 0.00 O ATOM 0 H ASP A 69 -8.247 8.644 6.647 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.697 11.025 4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.054 9.475 6.978 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.385 10.753 5.983 1.00 0.00 H new ATOM 1113 N PHE A 70 -5.738 9.761 3.572 1.00 0.00 N ATOM 1114 CA PHE A 70 -5.085 8.976 2.490 1.00 0.00 C ATOM 1115 C PHE A 70 -4.161 7.925 3.106 1.00 0.00 C ATOM 1116 O PHE A 70 -3.919 6.886 2.525 1.00 0.00 O ATOM 1117 CB PHE A 70 -4.267 9.916 1.603 1.00 0.00 C ATOM 1118 CG PHE A 70 -3.495 9.106 0.589 1.00 0.00 C ATOM 1119 CD1 PHE A 70 -4.100 8.011 -0.039 1.00 0.00 C ATOM 1120 CD2 PHE A 70 -2.174 9.450 0.278 1.00 0.00 C ATOM 1121 CE1 PHE A 70 -3.384 7.259 -0.980 1.00 0.00 C ATOM 1122 CE2 PHE A 70 -1.458 8.699 -0.662 1.00 0.00 C ATOM 1123 CZ PHE A 70 -2.063 7.603 -1.291 1.00 0.00 C ATOM 0 H PHE A 70 -5.368 10.701 3.712 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.848 8.480 1.890 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.926 10.620 1.096 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.581 10.504 2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.119 7.746 0.202 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.707 10.295 0.763 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.851 6.415 -1.465 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.439 8.965 -0.902 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.510 7.024 -2.016 1.00 0.00 H new ATOM 1133 N GLN A 71 -3.634 8.190 4.271 1.00 0.00 N ATOM 1134 CA GLN A 71 -2.717 7.208 4.917 1.00 0.00 C ATOM 1135 C GLN A 71 -3.519 6.059 5.527 1.00 0.00 C ATOM 1136 O GLN A 71 -3.052 4.940 5.596 1.00 0.00 O ATOM 1137 CB GLN A 71 -1.923 7.906 6.020 1.00 0.00 C ATOM 1138 CG GLN A 71 -0.571 8.353 5.462 1.00 0.00 C ATOM 1139 CD GLN A 71 0.552 7.599 6.176 1.00 0.00 C ATOM 1140 OE1 GLN A 71 1.530 8.190 6.587 1.00 0.00 O ATOM 1141 NE2 GLN A 71 0.451 6.308 6.343 1.00 0.00 N ATOM 0 H GLN A 71 -3.799 9.044 4.803 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.038 6.810 4.164 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.477 8.766 6.395 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.776 7.230 6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.527 8.161 4.390 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.446 9.427 5.599 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.371 5.812 5.998 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.194 5.796 6.819 1.00 0.00 H new ATOM 1150 N GLU A 72 -4.719 6.312 5.973 1.00 0.00 N ATOM 1151 CA GLU A 72 -5.516 5.217 6.566 1.00 0.00 C ATOM 1152 C GLU A 72 -6.068 4.348 5.435 1.00 0.00 C ATOM 1153 O GLU A 72 -6.011 3.137 5.484 1.00 0.00 O ATOM 1154 CB GLU A 72 -6.636 5.829 7.428 1.00 0.00 C ATOM 1155 CG GLU A 72 -7.929 6.025 6.632 1.00 0.00 C ATOM 1156 CD GLU A 72 -9.100 6.112 7.611 1.00 0.00 C ATOM 1157 OE1 GLU A 72 -9.317 7.185 8.152 1.00 0.00 O ATOM 1158 OE2 GLU A 72 -9.761 5.105 7.805 1.00 0.00 O ATOM 0 H GLU A 72 -5.174 7.225 5.950 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.906 4.584 7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.831 5.181 8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.305 6.789 7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.870 6.933 6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.076 5.196 5.940 1.00 0.00 H new ATOM 1165 N PHE A 73 -6.582 4.965 4.407 1.00 0.00 N ATOM 1166 CA PHE A 73 -7.117 4.187 3.253 1.00 0.00 C ATOM 1167 C PHE A 73 -5.935 3.526 2.536 1.00 0.00 C ATOM 1168 O PHE A 73 -6.088 2.555 1.821 1.00 0.00 O ATOM 1169 CB PHE A 73 -7.861 5.148 2.306 1.00 0.00 C ATOM 1170 CG PHE A 73 -7.718 4.708 0.864 1.00 0.00 C ATOM 1171 CD1 PHE A 73 -6.547 5.007 0.154 1.00 0.00 C ATOM 1172 CD2 PHE A 73 -8.753 4.005 0.238 1.00 0.00 C ATOM 1173 CE1 PHE A 73 -6.414 4.604 -1.180 1.00 0.00 C ATOM 1174 CE2 PHE A 73 -8.621 3.602 -1.095 1.00 0.00 C ATOM 1175 CZ PHE A 73 -7.451 3.900 -1.805 1.00 0.00 C ATOM 0 H PHE A 73 -6.655 5.978 4.316 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.814 3.418 3.585 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.916 5.185 2.576 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.466 6.157 2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.747 5.549 0.636 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -9.655 3.773 0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.512 4.836 -1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.422 3.061 -1.577 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.349 3.587 -2.834 1.00 0.00 H new ATOM 1185 N MET A 74 -4.759 4.055 2.726 1.00 0.00 N ATOM 1186 CA MET A 74 -3.558 3.476 2.065 1.00 0.00 C ATOM 1187 C MET A 74 -3.150 2.196 2.792 1.00 0.00 C ATOM 1188 O MET A 74 -3.012 1.147 2.193 1.00 0.00 O ATOM 1189 CB MET A 74 -2.413 4.492 2.131 1.00 0.00 C ATOM 1190 CG MET A 74 -2.205 5.121 0.754 1.00 0.00 C ATOM 1191 SD MET A 74 -0.947 4.187 -0.151 1.00 0.00 S ATOM 1192 CE MET A 74 -2.072 3.402 -1.330 1.00 0.00 C ATOM 0 H MET A 74 -4.578 4.868 3.314 1.00 0.00 H new ATOM 0 HA MET A 74 -3.782 3.244 1.024 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.642 5.265 2.864 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.497 4.002 2.460 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.142 5.123 0.198 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.895 6.161 0.860 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.526 3.142 -2.237 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.491 2.498 -0.887 1.00 0.00 H new ATOM 0 HE3 MET A 74 -2.879 4.092 -1.578 1.00 0.00 H new ATOM 1202 N ALA A 75 -2.961 2.272 4.077 1.00 0.00 N ATOM 1203 CA ALA A 75 -2.568 1.059 4.842 1.00 0.00 C ATOM 1204 C ALA A 75 -3.766 0.113 4.924 1.00 0.00 C ATOM 1205 O ALA A 75 -3.623 -1.063 5.189 1.00 0.00 O ATOM 1206 CB ALA A 75 -2.134 1.469 6.251 1.00 0.00 C ATOM 0 H ALA A 75 -3.062 3.122 4.632 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.740 0.555 4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.845 0.582 6.815 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.286 2.150 6.187 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.962 1.967 6.756 1.00 0.00 H new ATOM 1212 N PHE A 76 -4.948 0.620 4.701 1.00 0.00 N ATOM 1213 CA PHE A 76 -6.161 -0.245 4.768 1.00 0.00 C ATOM 1214 C PHE A 76 -6.315 -1.032 3.464 1.00 0.00 C ATOM 1215 O PHE A 76 -6.792 -2.151 3.459 1.00 0.00 O ATOM 1216 CB PHE A 76 -7.398 0.632 4.978 1.00 0.00 C ATOM 1217 CG PHE A 76 -7.749 0.665 6.445 1.00 0.00 C ATOM 1218 CD1 PHE A 76 -6.821 1.145 7.377 1.00 0.00 C ATOM 1219 CD2 PHE A 76 -9.005 0.218 6.875 1.00 0.00 C ATOM 1220 CE1 PHE A 76 -7.148 1.175 8.739 1.00 0.00 C ATOM 1221 CE2 PHE A 76 -9.331 0.249 8.236 1.00 0.00 C ATOM 1222 CZ PHE A 76 -8.402 0.729 9.168 1.00 0.00 C ATOM 0 H PHE A 76 -5.127 1.598 4.475 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.057 -0.943 5.598 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -7.206 1.642 4.616 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.236 0.241 4.401 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.853 1.492 7.046 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.722 -0.151 6.156 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.431 1.543 9.458 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.299 -0.097 8.567 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.654 0.755 10.218 1.00 0.00 H new ATOM 1232 N VAL A 77 -5.928 -0.462 2.355 1.00 0.00 N ATOM 1233 CA VAL A 77 -6.069 -1.188 1.059 1.00 0.00 C ATOM 1234 C VAL A 77 -4.969 -2.244 0.935 1.00 0.00 C ATOM 1235 O VAL A 77 -5.143 -3.258 0.290 1.00 0.00 O ATOM 1236 CB VAL A 77 -5.952 -0.192 -0.097 1.00 0.00 C ATOM 1237 CG1 VAL A 77 -5.903 -0.950 -1.425 1.00 0.00 C ATOM 1238 CG2 VAL A 77 -7.166 0.741 -0.089 1.00 0.00 C ATOM 0 H VAL A 77 -5.522 0.471 2.290 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.042 -1.677 1.024 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.040 0.393 0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.820 -0.239 -2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.040 -1.616 -1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.814 -1.536 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.084 1.451 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.077 0.154 -0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.202 1.283 0.856 1.00 0.00 H new ATOM 1248 N SER A 78 -3.838 -2.017 1.542 1.00 0.00 N ATOM 1249 CA SER A 78 -2.732 -3.011 1.446 1.00 0.00 C ATOM 1250 C SER A 78 -2.988 -4.174 2.408 1.00 0.00 C ATOM 1251 O SER A 78 -2.650 -5.307 2.126 1.00 0.00 O ATOM 1252 CB SER A 78 -1.410 -2.335 1.806 1.00 0.00 C ATOM 1253 OG SER A 78 -1.057 -1.418 0.778 1.00 0.00 O ATOM 0 H SER A 78 -3.631 -1.188 2.099 1.00 0.00 H new ATOM 0 HA SER A 78 -2.684 -3.395 0.427 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.502 -1.813 2.759 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.627 -3.083 1.927 1.00 0.00 H new ATOM 0 HG SER A 78 -0.430 -1.847 0.158 1.00 0.00 H new ATOM 1259 N MET A 79 -3.573 -3.907 3.543 1.00 0.00 N ATOM 1260 CA MET A 79 -3.838 -4.999 4.517 1.00 0.00 C ATOM 1261 C MET A 79 -4.827 -6.004 3.919 1.00 0.00 C ATOM 1262 O MET A 79 -4.642 -7.201 4.014 1.00 0.00 O ATOM 1263 CB MET A 79 -4.432 -4.395 5.788 1.00 0.00 C ATOM 1264 CG MET A 79 -3.459 -3.369 6.369 1.00 0.00 C ATOM 1265 SD MET A 79 -2.651 -4.062 7.833 1.00 0.00 S ATOM 1266 CE MET A 79 -3.639 -3.185 9.070 1.00 0.00 C ATOM 0 H MET A 79 -3.878 -2.979 3.837 1.00 0.00 H new ATOM 0 HA MET A 79 -2.906 -5.514 4.749 1.00 0.00 H new ATOM 0 HB2 MET A 79 -5.388 -3.920 5.565 1.00 0.00 H new ATOM 0 HB3 MET A 79 -4.629 -5.180 6.519 1.00 0.00 H new ATOM 0 HG2 MET A 79 -2.712 -3.098 5.623 1.00 0.00 H new ATOM 0 HG3 MET A 79 -3.992 -2.456 6.633 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.306 -3.467 10.069 1.00 0.00 H new ATOM 0 HE2 MET A 79 -3.518 -2.110 8.937 1.00 0.00 H new ATOM 0 HE3 MET A 79 -4.690 -3.449 8.950 1.00 0.00 H new ATOM 1276 N VAL A 80 -5.885 -5.529 3.319 1.00 0.00 N ATOM 1277 CA VAL A 80 -6.890 -6.457 2.736 1.00 0.00 C ATOM 1278 C VAL A 80 -6.336 -7.126 1.470 1.00 0.00 C ATOM 1279 O VAL A 80 -6.521 -8.308 1.255 1.00 0.00 O ATOM 1280 CB VAL A 80 -8.159 -5.677 2.394 1.00 0.00 C ATOM 1281 CG1 VAL A 80 -8.854 -5.239 3.687 1.00 0.00 C ATOM 1282 CG2 VAL A 80 -7.808 -4.442 1.557 1.00 0.00 C ATOM 0 H VAL A 80 -6.095 -4.537 3.208 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.119 -7.234 3.466 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.827 -6.318 1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.759 -4.683 3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.116 -6.118 4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.182 -4.604 4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.719 -3.893 1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.134 -3.799 2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.321 -4.755 0.634 1.00 0.00 H new ATOM 1292 N THR A 81 -5.667 -6.386 0.626 1.00 0.00 N ATOM 1293 CA THR A 81 -5.120 -6.994 -0.625 1.00 0.00 C ATOM 1294 C THR A 81 -4.101 -8.081 -0.276 1.00 0.00 C ATOM 1295 O THR A 81 -3.699 -8.860 -1.120 1.00 0.00 O ATOM 1296 CB THR A 81 -4.438 -5.910 -1.469 1.00 0.00 C ATOM 1297 OG1 THR A 81 -5.252 -4.745 -1.496 1.00 0.00 O ATOM 1298 CG2 THR A 81 -4.232 -6.424 -2.896 1.00 0.00 C ATOM 0 H THR A 81 -5.476 -5.391 0.747 1.00 0.00 H new ATOM 0 HA THR A 81 -5.939 -7.438 -1.191 1.00 0.00 H new ATOM 0 HB THR A 81 -3.471 -5.666 -1.030 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.917 -4.097 -0.842 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.747 -5.652 -3.494 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.604 -7.315 -2.875 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.198 -6.671 -3.337 1.00 0.00 H new ATOM 1306 N THR A 82 -3.679 -8.147 0.957 1.00 0.00 N ATOM 1307 CA THR A 82 -2.687 -9.189 1.346 1.00 0.00 C ATOM 1308 C THR A 82 -3.333 -10.167 2.331 1.00 0.00 C ATOM 1309 O THR A 82 -2.765 -11.186 2.671 1.00 0.00 O ATOM 1310 CB THR A 82 -1.479 -8.523 2.011 1.00 0.00 C ATOM 1311 OG1 THR A 82 -1.910 -7.805 3.158 1.00 0.00 O ATOM 1312 CG2 THR A 82 -0.816 -7.562 1.023 1.00 0.00 C ATOM 0 H THR A 82 -3.977 -7.527 1.710 1.00 0.00 H new ATOM 0 HA THR A 82 -2.362 -9.728 0.457 1.00 0.00 H new ATOM 0 HB THR A 82 -0.760 -9.286 2.309 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.192 -6.904 2.893 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.044 -7.088 1.497 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.486 -8.115 0.143 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.532 -6.797 0.723 1.00 0.00 H new ATOM 1320 N ALA A 83 -4.515 -9.863 2.793 1.00 0.00 N ATOM 1321 CA ALA A 83 -5.195 -10.774 3.755 1.00 0.00 C ATOM 1322 C ALA A 83 -6.236 -11.616 3.016 1.00 0.00 C ATOM 1323 O ALA A 83 -7.414 -11.560 3.311 1.00 0.00 O ATOM 1324 CB ALA A 83 -5.887 -9.945 4.841 1.00 0.00 C ATOM 0 H ALA A 83 -5.039 -9.023 2.546 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.457 -11.432 4.214 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.385 -10.611 5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.145 -9.347 5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.624 -9.286 4.382 1.00 0.00 H new ATOM 1330 N CYS A 84 -5.817 -12.397 2.057 1.00 0.00 N ATOM 1331 CA CYS A 84 -6.792 -13.236 1.306 1.00 0.00 C ATOM 1332 C CYS A 84 -6.058 -14.388 0.613 1.00 0.00 C ATOM 1333 O CYS A 84 -6.494 -14.890 -0.404 1.00 0.00 O ATOM 1334 CB CYS A 84 -7.498 -12.378 0.256 1.00 0.00 C ATOM 1335 SG CYS A 84 -6.298 -11.272 -0.526 1.00 0.00 S ATOM 0 H CYS A 84 -4.845 -12.490 1.763 1.00 0.00 H new ATOM 0 HA CYS A 84 -7.527 -13.643 2.000 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -7.965 -13.015 -0.495 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -8.294 -11.797 0.721 1.00 0.00 H new ATOM 0 HG CYS A 84 -6.325 -10.115 0.065 1.00 0.00 H new ATOM 1341 N HIS A 85 -4.951 -14.812 1.157 1.00 0.00 N ATOM 1342 CA HIS A 85 -4.194 -15.932 0.529 1.00 0.00 C ATOM 1343 C HIS A 85 -4.031 -15.665 -0.970 1.00 0.00 C ATOM 1344 O HIS A 85 -4.137 -16.560 -1.785 1.00 0.00 O ATOM 1345 CB HIS A 85 -4.957 -17.243 0.730 1.00 0.00 C ATOM 1346 CG HIS A 85 -4.067 -18.399 0.359 1.00 0.00 C ATOM 1347 ND1 HIS A 85 -4.389 -19.286 -0.657 1.00 0.00 N ATOM 1348 CD2 HIS A 85 -2.862 -18.825 0.860 1.00 0.00 C ATOM 1349 CE1 HIS A 85 -3.398 -20.192 -0.734 1.00 0.00 C ATOM 1350 NE2 HIS A 85 -2.441 -19.957 0.169 1.00 0.00 N ATOM 0 H HIS A 85 -4.538 -14.432 2.009 1.00 0.00 H new ATOM 0 HA HIS A 85 -3.211 -16.007 0.994 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -5.278 -17.335 1.768 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -5.857 -17.251 0.116 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -5.225 -19.257 -1.240 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -2.323 -18.353 1.668 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -3.378 -21.010 -1.439 1.00 0.00 H new ATOM 1358 N GLU A 86 -3.770 -14.440 -1.339 1.00 0.00 N ATOM 1359 CA GLU A 86 -3.596 -14.119 -2.784 1.00 0.00 C ATOM 1360 C GLU A 86 -2.130 -13.767 -3.049 1.00 0.00 C ATOM 1361 O GLU A 86 -1.824 -12.789 -3.701 1.00 0.00 O ATOM 1362 CB GLU A 86 -4.485 -12.930 -3.157 1.00 0.00 C ATOM 1363 CG GLU A 86 -4.857 -13.015 -4.639 1.00 0.00 C ATOM 1364 CD GLU A 86 -4.151 -11.897 -5.409 1.00 0.00 C ATOM 1365 OE1 GLU A 86 -4.593 -10.764 -5.308 1.00 0.00 O ATOM 1366 OE2 GLU A 86 -3.181 -12.194 -6.089 1.00 0.00 O ATOM 0 H GLU A 86 -3.670 -13.649 -0.703 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.880 -14.982 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.387 -12.930 -2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.963 -11.995 -2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.569 -13.986 -5.042 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.937 -12.928 -4.759 1.00 0.00 H new ATOM 1373 N PHE A 87 -1.222 -14.559 -2.542 1.00 0.00 N ATOM 1374 CA PHE A 87 0.224 -14.273 -2.760 1.00 0.00 C ATOM 1375 C PHE A 87 0.580 -14.507 -4.229 1.00 0.00 C ATOM 1376 O PHE A 87 0.780 -15.626 -4.658 1.00 0.00 O ATOM 1377 CB PHE A 87 1.067 -15.202 -1.884 1.00 0.00 C ATOM 1378 CG PHE A 87 2.077 -14.387 -1.114 1.00 0.00 C ATOM 1379 CD1 PHE A 87 1.648 -13.505 -0.115 1.00 0.00 C ATOM 1380 CD2 PHE A 87 3.443 -14.511 -1.400 1.00 0.00 C ATOM 1381 CE1 PHE A 87 2.583 -12.748 0.599 1.00 0.00 C ATOM 1382 CE2 PHE A 87 4.378 -13.752 -0.686 1.00 0.00 C ATOM 1383 CZ PHE A 87 3.948 -12.870 0.314 1.00 0.00 C ATOM 0 H PHE A 87 -1.421 -15.391 -1.987 1.00 0.00 H new ATOM 0 HA PHE A 87 0.428 -13.235 -2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.425 -15.751 -1.195 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.576 -15.941 -2.503 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.595 -13.409 0.105 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.774 -15.191 -2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.251 -12.069 1.371 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.431 -13.846 -0.906 1.00 0.00 H new ATOM 0 HZ PHE A 87 4.669 -12.285 0.865 1.00 0.00 H new ATOM 1393 N PHE A 88 0.669 -13.460 -5.003 1.00 0.00 N ATOM 1394 CA PHE A 88 1.019 -13.621 -6.440 1.00 0.00 C ATOM 1395 C PHE A 88 0.175 -14.742 -7.050 1.00 0.00 C ATOM 1396 O PHE A 88 0.503 -15.908 -6.952 1.00 0.00 O ATOM 1397 CB PHE A 88 2.505 -13.963 -6.551 1.00 0.00 C ATOM 1398 CG PHE A 88 3.299 -12.980 -5.727 1.00 0.00 C ATOM 1399 CD1 PHE A 88 3.370 -11.640 -6.120 1.00 0.00 C ATOM 1400 CD2 PHE A 88 3.956 -13.404 -4.565 1.00 0.00 C ATOM 1401 CE1 PHE A 88 4.098 -10.722 -5.353 1.00 0.00 C ATOM 1402 CE2 PHE A 88 4.683 -12.486 -3.797 1.00 0.00 C ATOM 1403 CZ PHE A 88 4.755 -11.146 -4.192 1.00 0.00 C ATOM 0 H PHE A 88 0.514 -12.498 -4.700 1.00 0.00 H new ATOM 0 HA PHE A 88 0.817 -12.696 -6.980 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.684 -14.979 -6.200 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.823 -13.924 -7.593 1.00 0.00 H new ATOM 0 HD1 PHE A 88 2.863 -11.313 -7.016 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.902 -14.439 -4.261 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.153 -9.687 -5.657 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.188 -12.813 -2.900 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.318 -10.438 -3.601 1.00 0.00 H new ATOM 1413 N GLU A 89 -0.917 -14.395 -7.675 1.00 0.00 N ATOM 1414 CA GLU A 89 -1.795 -15.432 -8.287 1.00 0.00 C ATOM 1415 C GLU A 89 -1.385 -15.665 -9.745 1.00 0.00 C ATOM 1416 O GLU A 89 -1.950 -16.494 -10.431 1.00 0.00 O ATOM 1417 CB GLU A 89 -3.245 -14.949 -8.235 1.00 0.00 C ATOM 1418 CG GLU A 89 -4.187 -16.101 -8.592 1.00 0.00 C ATOM 1419 CD GLU A 89 -4.346 -17.024 -7.384 1.00 0.00 C ATOM 1420 OE1 GLU A 89 -3.344 -17.323 -6.755 1.00 0.00 O ATOM 1421 OE2 GLU A 89 -5.467 -17.418 -7.107 1.00 0.00 O ATOM 0 H GLU A 89 -1.240 -13.434 -7.788 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.696 -16.367 -7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.477 -14.572 -7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.388 -14.121 -8.930 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.158 -15.710 -8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.790 -16.659 -9.440 1.00 0.00 H new ATOM 1428 N HIS A 90 -0.411 -14.942 -10.225 1.00 0.00 N ATOM 1429 CA HIS A 90 0.024 -15.124 -11.639 1.00 0.00 C ATOM 1430 C HIS A 90 0.135 -16.619 -11.963 1.00 0.00 C ATOM 1431 O HIS A 90 0.008 -17.026 -13.102 1.00 0.00 O ATOM 1432 CB HIS A 90 1.383 -14.441 -11.845 1.00 0.00 C ATOM 1433 CG HIS A 90 2.487 -15.307 -11.292 1.00 0.00 C ATOM 1434 ND1 HIS A 90 3.201 -16.190 -12.087 1.00 0.00 N ATOM 1435 CD2 HIS A 90 3.007 -15.435 -10.028 1.00 0.00 C ATOM 1436 CE1 HIS A 90 4.103 -16.804 -11.299 1.00 0.00 C ATOM 1437 NE2 HIS A 90 4.028 -16.381 -10.035 1.00 0.00 N ATOM 0 H HIS A 90 0.102 -14.234 -9.700 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.712 -14.674 -12.305 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.550 -14.259 -12.907 1.00 0.00 H new ATOM 0 HB3 HIS A 90 1.389 -13.470 -11.350 1.00 0.00 H new ATOM 0 HD2 HIS A 90 2.674 -14.885 -9.160 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.803 -17.549 -11.647 1.00 0.00 H new ATOM 0 HE2 HIS A 90 4.596 -16.685 -9.245 1.00 0.00 H new ATOM 1445 N GLU A 91 0.374 -17.439 -10.976 1.00 0.00 N ATOM 1446 CA GLU A 91 0.493 -18.903 -11.238 1.00 0.00 C ATOM 1447 C GLU A 91 -0.684 -19.365 -12.100 1.00 0.00 C ATOM 1448 O GLU A 91 -0.442 -19.800 -13.215 1.00 0.00 O ATOM 1449 CB GLU A 91 0.486 -19.666 -9.911 1.00 0.00 C ATOM 1450 CG GLU A 91 0.663 -21.162 -10.182 1.00 0.00 C ATOM 1451 CD GLU A 91 2.147 -21.472 -10.380 1.00 0.00 C ATOM 1452 OE1 GLU A 91 2.932 -20.538 -10.389 1.00 0.00 O ATOM 1453 OE2 GLU A 91 2.476 -22.640 -10.521 1.00 0.00 O ATOM 1454 OXT GLU A 91 -1.807 -19.277 -11.632 1.00 0.00 O ATOM 0 H GLU A 91 0.492 -17.160 -10.002 1.00 0.00 H new ATOM 0 HA GLU A 91 1.428 -19.101 -11.763 1.00 0.00 H new ATOM 0 HB2 GLU A 91 1.288 -19.305 -9.267 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.451 -19.490 -9.383 1.00 0.00 H new ATOM 0 HG2 GLU A 91 0.267 -21.743 -9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.099 -21.451 -11.069 1.00 0.00 H new TER 1461 GLU A 91 ATOM 1462 N MET B 0 -7.569 -2.657 -15.745 1.00 0.00 N ATOM 1463 CA MET B 0 -9.050 -2.817 -15.691 1.00 0.00 C ATOM 1464 C MET B 0 -9.640 -1.790 -14.720 1.00 0.00 C ATOM 1465 O MET B 0 -10.563 -1.070 -15.048 1.00 0.00 O ATOM 1466 CB MET B 0 -9.393 -4.229 -15.212 1.00 0.00 C ATOM 1467 CG MET B 0 -10.771 -4.628 -15.744 1.00 0.00 C ATOM 1468 SD MET B 0 -10.951 -6.427 -15.661 1.00 0.00 S ATOM 1469 CE MET B 0 -12.638 -6.455 -15.004 1.00 0.00 C ATOM 0 H1 MET B 0 -7.168 -3.354 -16.404 1.00 0.00 H new ATOM 0 H2 MET B 0 -7.335 -1.698 -16.071 1.00 0.00 H new ATOM 0 H3 MET B 0 -7.169 -2.807 -14.797 1.00 0.00 H new ATOM 0 HA MET B 0 -9.469 -2.659 -16.685 1.00 0.00 H new ATOM 0 HB2 MET B 0 -8.639 -4.935 -15.559 1.00 0.00 H new ATOM 0 HB3 MET B 0 -9.387 -4.266 -14.123 1.00 0.00 H new ATOM 0 HG2 MET B 0 -11.553 -4.146 -15.157 1.00 0.00 H new ATOM 0 HG3 MET B 0 -10.888 -4.287 -16.773 1.00 0.00 H new ATOM 0 HE1 MET B 0 -12.960 -7.488 -14.871 1.00 0.00 H new ATOM 0 HE2 MET B 0 -12.663 -5.941 -14.043 1.00 0.00 H new ATOM 0 HE3 MET B 0 -13.308 -5.953 -15.701 1.00 0.00 H new ATOM 1481 N SER B 1 -9.115 -1.717 -13.527 1.00 0.00 N ATOM 1482 CA SER B 1 -9.649 -0.736 -12.539 1.00 0.00 C ATOM 1483 C SER B 1 -8.526 0.202 -12.091 1.00 0.00 C ATOM 1484 O SER B 1 -7.364 -0.028 -12.365 1.00 0.00 O ATOM 1485 CB SER B 1 -10.200 -1.484 -11.324 1.00 0.00 C ATOM 1486 OG SER B 1 -10.073 -0.663 -10.169 1.00 0.00 O ATOM 0 H SER B 1 -8.341 -2.293 -13.194 1.00 0.00 H new ATOM 0 HA SER B 1 -10.446 -0.154 -13.002 1.00 0.00 H new ATOM 0 HB2 SER B 1 -11.246 -1.744 -11.486 1.00 0.00 H new ATOM 0 HB3 SER B 1 -9.658 -2.419 -11.181 1.00 0.00 H new ATOM 0 HG SER B 1 -10.875 -0.754 -9.613 1.00 0.00 H new ATOM 1492 N GLU B 2 -8.863 1.257 -11.402 1.00 0.00 N ATOM 1493 CA GLU B 2 -7.817 2.209 -10.934 1.00 0.00 C ATOM 1494 C GLU B 2 -7.147 1.655 -9.674 1.00 0.00 C ATOM 1495 O GLU B 2 -5.958 1.802 -9.475 1.00 0.00 O ATOM 1496 CB GLU B 2 -8.464 3.559 -10.613 1.00 0.00 C ATOM 1497 CG GLU B 2 -7.570 4.688 -11.126 1.00 0.00 C ATOM 1498 CD GLU B 2 -7.802 4.879 -12.626 1.00 0.00 C ATOM 1499 OE1 GLU B 2 -8.926 4.689 -13.060 1.00 0.00 O ATOM 1500 OE2 GLU B 2 -6.851 5.211 -13.316 1.00 0.00 O ATOM 0 H GLU B 2 -9.819 1.501 -11.143 1.00 0.00 H new ATOM 0 HA GLU B 2 -7.069 2.339 -11.716 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -9.449 3.622 -11.076 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -8.611 3.657 -9.537 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -7.791 5.612 -10.592 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -6.523 4.452 -10.936 1.00 0.00 H new ATOM 1507 N LEU B 3 -7.905 1.020 -8.824 1.00 0.00 N ATOM 1508 CA LEU B 3 -7.319 0.456 -7.574 1.00 0.00 C ATOM 1509 C LEU B 3 -6.583 -0.847 -7.893 1.00 0.00 C ATOM 1510 O LEU B 3 -5.445 -1.038 -7.522 1.00 0.00 O ATOM 1511 CB LEU B 3 -8.441 0.162 -6.579 1.00 0.00 C ATOM 1512 CG LEU B 3 -7.851 -0.006 -5.177 1.00 0.00 C ATOM 1513 CD1 LEU B 3 -7.145 1.285 -4.760 1.00 0.00 C ATOM 1514 CD2 LEU B 3 -8.976 -0.318 -4.184 1.00 0.00 C ATOM 0 H LEU B 3 -8.907 0.867 -8.940 1.00 0.00 H new ATOM 0 HA LEU B 3 -6.621 1.176 -7.146 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -9.168 0.974 -6.584 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -8.973 -0.743 -6.872 1.00 0.00 H new ATOM 0 HG LEU B 3 -7.132 -0.826 -5.182 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -6.725 1.164 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -6.344 1.506 -5.466 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -7.862 2.106 -4.755 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -8.557 -0.438 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -9.695 0.501 -4.180 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -9.477 -1.239 -4.480 1.00 0.00 H new ATOM 1526 N GLU B 4 -7.235 -1.746 -8.570 1.00 0.00 N ATOM 1527 CA GLU B 4 -6.589 -3.047 -8.910 1.00 0.00 C ATOM 1528 C GLU B 4 -5.247 -2.803 -9.605 1.00 0.00 C ATOM 1529 O GLU B 4 -4.234 -3.361 -9.235 1.00 0.00 O ATOM 1530 CB GLU B 4 -7.517 -3.834 -9.846 1.00 0.00 C ATOM 1531 CG GLU B 4 -6.788 -5.055 -10.418 1.00 0.00 C ATOM 1532 CD GLU B 4 -7.498 -5.526 -11.688 1.00 0.00 C ATOM 1533 OE1 GLU B 4 -8.191 -4.722 -12.289 1.00 0.00 O ATOM 1534 OE2 GLU B 4 -7.337 -6.685 -12.039 1.00 0.00 O ATOM 0 H GLU B 4 -8.192 -1.638 -8.906 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.413 -3.614 -7.996 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -8.406 -4.155 -9.302 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -7.855 -3.191 -10.658 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -5.752 -4.801 -10.641 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -6.768 -5.858 -9.681 1.00 0.00 H new ATOM 1541 N LYS B 5 -5.234 -1.990 -10.618 1.00 0.00 N ATOM 1542 CA LYS B 5 -3.960 -1.732 -11.352 1.00 0.00 C ATOM 1543 C LYS B 5 -2.890 -1.195 -10.399 1.00 0.00 C ATOM 1544 O LYS B 5 -1.719 -1.475 -10.553 1.00 0.00 O ATOM 1545 CB LYS B 5 -4.211 -0.704 -12.458 1.00 0.00 C ATOM 1546 CG LYS B 5 -3.890 -1.324 -13.818 1.00 0.00 C ATOM 1547 CD LYS B 5 -4.793 -0.703 -14.887 1.00 0.00 C ATOM 1548 CE LYS B 5 -3.957 0.192 -15.805 1.00 0.00 C ATOM 1549 NZ LYS B 5 -3.260 -0.652 -16.818 1.00 0.00 N ATOM 0 H LYS B 5 -6.049 -1.490 -10.974 1.00 0.00 H new ATOM 0 HA LYS B 5 -3.609 -2.669 -11.784 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -5.250 -0.375 -12.433 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -3.593 0.179 -12.295 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -2.843 -1.155 -14.069 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -4.040 -2.403 -13.782 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -5.278 -1.487 -15.469 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -5.584 -0.120 -14.416 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -4.597 0.921 -16.301 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -3.229 0.753 -15.220 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -2.691 -0.046 -17.443 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -2.638 -1.331 -16.335 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -3.964 -1.168 -17.383 1.00 0.00 H new ATOM 1563 N ALA B 6 -3.273 -0.415 -9.430 1.00 0.00 N ATOM 1564 CA ALA B 6 -2.263 0.146 -8.487 1.00 0.00 C ATOM 1565 C ALA B 6 -1.893 -0.889 -7.421 1.00 0.00 C ATOM 1566 O ALA B 6 -0.800 -1.421 -7.412 1.00 0.00 O ATOM 1567 CB ALA B 6 -2.841 1.388 -7.811 1.00 0.00 C ATOM 0 H ALA B 6 -4.238 -0.141 -9.248 1.00 0.00 H new ATOM 0 HA ALA B 6 -1.365 0.410 -9.046 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -2.106 1.802 -7.120 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -3.087 2.133 -8.568 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.743 1.117 -7.262 1.00 0.00 H new ATOM 1573 N MET B 7 -2.790 -1.169 -6.518 1.00 0.00 N ATOM 1574 CA MET B 7 -2.494 -2.157 -5.442 1.00 0.00 C ATOM 1575 C MET B 7 -1.929 -3.436 -6.061 1.00 0.00 C ATOM 1576 O MET B 7 -0.875 -3.915 -5.684 1.00 0.00 O ATOM 1577 CB MET B 7 -3.790 -2.482 -4.691 1.00 0.00 C ATOM 1578 CG MET B 7 -3.604 -3.752 -3.857 1.00 0.00 C ATOM 1579 SD MET B 7 -2.278 -3.495 -2.651 1.00 0.00 S ATOM 1580 CE MET B 7 -3.073 -2.161 -1.723 1.00 0.00 C ATOM 0 H MET B 7 -3.721 -0.754 -6.478 1.00 0.00 H new ATOM 0 HA MET B 7 -1.762 -1.739 -4.751 1.00 0.00 H new ATOM 0 HB2 MET B 7 -4.065 -1.649 -4.044 1.00 0.00 H new ATOM 0 HB3 MET B 7 -4.607 -2.618 -5.400 1.00 0.00 H new ATOM 0 HG2 MET B 7 -4.533 -4.002 -3.344 1.00 0.00 H new ATOM 0 HG3 MET B 7 -3.362 -4.594 -4.506 1.00 0.00 H new ATOM 0 HE1 MET B 7 -2.627 -2.092 -0.731 1.00 0.00 H new ATOM 0 HE2 MET B 7 -2.933 -1.217 -2.250 1.00 0.00 H new ATOM 0 HE3 MET B 7 -4.139 -2.369 -1.628 1.00 0.00 H new ATOM 1590 N VAL B 8 -2.632 -3.996 -7.002 1.00 0.00 N ATOM 1591 CA VAL B 8 -2.152 -5.252 -7.642 1.00 0.00 C ATOM 1592 C VAL B 8 -0.812 -5.000 -8.340 1.00 0.00 C ATOM 1593 O VAL B 8 0.001 -5.892 -8.476 1.00 0.00 O ATOM 1594 CB VAL B 8 -3.191 -5.727 -8.658 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -2.904 -7.180 -9.039 1.00 0.00 C ATOM 1596 CG2 VAL B 8 -4.586 -5.639 -8.032 1.00 0.00 C ATOM 0 H VAL B 8 -3.519 -3.639 -7.357 1.00 0.00 H new ATOM 0 HA VAL B 8 -2.012 -6.020 -6.881 1.00 0.00 H new ATOM 0 HB VAL B 8 -3.144 -5.099 -9.548 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -3.644 -7.519 -9.763 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.908 -7.251 -9.477 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.954 -7.806 -8.148 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.330 -5.977 -8.753 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -4.627 -6.271 -7.145 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -4.795 -4.606 -7.752 1.00 0.00 H new ATOM 1606 N ALA B 9 -0.568 -3.794 -8.778 1.00 0.00 N ATOM 1607 CA ALA B 9 0.728 -3.499 -9.456 1.00 0.00 C ATOM 1608 C ALA B 9 1.866 -3.639 -8.444 1.00 0.00 C ATOM 1609 O ALA B 9 2.899 -4.211 -8.731 1.00 0.00 O ATOM 1610 CB ALA B 9 0.711 -2.072 -10.006 1.00 0.00 C ATOM 0 H ALA B 9 -1.207 -3.003 -8.696 1.00 0.00 H new ATOM 0 HA ALA B 9 0.875 -4.199 -10.278 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.659 -1.861 -10.500 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -0.103 -1.968 -10.724 1.00 0.00 H new ATOM 0 HB3 ALA B 9 0.564 -1.368 -9.187 1.00 0.00 H new ATOM 1616 N LEU B 10 1.684 -3.125 -7.258 1.00 0.00 N ATOM 1617 CA LEU B 10 2.754 -3.235 -6.230 1.00 0.00 C ATOM 1618 C LEU B 10 3.178 -4.697 -6.120 1.00 0.00 C ATOM 1619 O LEU B 10 4.350 -5.013 -6.068 1.00 0.00 O ATOM 1620 CB LEU B 10 2.222 -2.748 -4.880 1.00 0.00 C ATOM 1621 CG LEU B 10 2.962 -1.475 -4.468 1.00 0.00 C ATOM 1622 CD1 LEU B 10 1.979 -0.500 -3.819 1.00 0.00 C ATOM 1623 CD2 LEU B 10 4.065 -1.827 -3.468 1.00 0.00 C ATOM 0 H LEU B 10 0.841 -2.635 -6.958 1.00 0.00 H new ATOM 0 HA LEU B 10 3.609 -2.622 -6.515 1.00 0.00 H new ATOM 0 HB2 LEU B 10 1.152 -2.553 -4.948 1.00 0.00 H new ATOM 0 HB3 LEU B 10 2.358 -3.521 -4.124 1.00 0.00 H new ATOM 0 HG LEU B 10 3.405 -1.012 -5.350 1.00 0.00 H new ATOM 0 HD11 LEU B 10 2.507 0.407 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU B 10 1.193 -0.248 -4.531 1.00 0.00 H new ATOM 0 HD13 LEU B 10 1.536 -0.963 -2.938 1.00 0.00 H new ATOM 0 HD21 LEU B 10 4.593 -0.920 -3.174 1.00 0.00 H new ATOM 0 HD22 LEU B 10 3.622 -2.291 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.767 -2.521 -3.930 1.00 0.00 H new ATOM 1635 N ILE B 11 2.231 -5.596 -6.099 1.00 0.00 N ATOM 1636 CA ILE B 11 2.584 -7.039 -6.010 1.00 0.00 C ATOM 1637 C ILE B 11 3.580 -7.372 -7.125 1.00 0.00 C ATOM 1638 O ILE B 11 4.545 -8.083 -6.924 1.00 0.00 O ATOM 1639 CB ILE B 11 1.321 -7.886 -6.187 1.00 0.00 C ATOM 1640 CG1 ILE B 11 0.370 -7.641 -5.012 1.00 0.00 C ATOM 1641 CG2 ILE B 11 1.700 -9.366 -6.233 1.00 0.00 C ATOM 1642 CD1 ILE B 11 -0.978 -8.304 -5.300 1.00 0.00 C ATOM 0 H ILE B 11 1.232 -5.393 -6.140 1.00 0.00 H new ATOM 0 HA ILE B 11 3.027 -7.253 -5.038 1.00 0.00 H new ATOM 0 HB ILE B 11 0.828 -7.607 -7.118 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.797 -8.045 -4.094 1.00 0.00 H new ATOM 0 HG13 ILE B 11 0.235 -6.571 -4.857 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.800 -9.968 -6.359 1.00 0.00 H new ATOM 0 HG22 ILE B 11 2.375 -9.543 -7.070 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.195 -9.644 -5.303 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.655 -8.130 -4.464 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.406 -7.879 -6.208 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.835 -9.376 -5.434 1.00 0.00 H new ATOM 1654 N ASP B 12 3.349 -6.855 -8.300 1.00 0.00 N ATOM 1655 CA ASP B 12 4.273 -7.130 -9.435 1.00 0.00 C ATOM 1656 C ASP B 12 5.700 -6.756 -9.033 1.00 0.00 C ATOM 1657 O ASP B 12 6.608 -7.561 -9.100 1.00 0.00 O ATOM 1658 CB ASP B 12 3.847 -6.292 -10.641 1.00 0.00 C ATOM 1659 CG ASP B 12 4.615 -6.751 -11.883 1.00 0.00 C ATOM 1660 OD1 ASP B 12 5.793 -6.449 -11.972 1.00 0.00 O ATOM 1661 OD2 ASP B 12 4.011 -7.398 -12.723 1.00 0.00 O ATOM 0 H ASP B 12 2.557 -6.252 -8.523 1.00 0.00 H new ATOM 0 HA ASP B 12 4.236 -8.189 -9.691 1.00 0.00 H new ATOM 0 HB2 ASP B 12 2.774 -6.393 -10.806 1.00 0.00 H new ATOM 0 HB3 ASP B 12 4.042 -5.237 -10.450 1.00 0.00 H new ATOM 1666 N VAL B 13 5.898 -5.538 -8.615 1.00 0.00 N ATOM 1667 CA VAL B 13 7.266 -5.102 -8.204 1.00 0.00 C ATOM 1668 C VAL B 13 7.918 -6.198 -7.358 1.00 0.00 C ATOM 1669 O VAL B 13 9.118 -6.378 -7.382 1.00 0.00 O ATOM 1670 CB VAL B 13 7.168 -3.814 -7.380 1.00 0.00 C ATOM 1671 CG1 VAL B 13 8.486 -3.566 -6.642 1.00 0.00 C ATOM 1672 CG2 VAL B 13 6.886 -2.636 -8.312 1.00 0.00 C ATOM 0 H VAL B 13 5.174 -4.824 -8.539 1.00 0.00 H new ATOM 0 HA VAL B 13 7.870 -4.919 -9.093 1.00 0.00 H new ATOM 0 HB VAL B 13 6.361 -3.914 -6.654 1.00 0.00 H new ATOM 0 HG11 VAL B 13 8.409 -2.649 -6.058 1.00 0.00 H new ATOM 0 HG12 VAL B 13 8.693 -4.404 -5.976 1.00 0.00 H new ATOM 0 HG13 VAL B 13 9.295 -3.469 -7.366 1.00 0.00 H new ATOM 0 HG21 VAL B 13 6.816 -1.718 -7.728 1.00 0.00 H new ATOM 0 HG22 VAL B 13 7.695 -2.544 -9.037 1.00 0.00 H new ATOM 0 HG23 VAL B 13 5.946 -2.804 -8.837 1.00 0.00 H new ATOM 1682 N PHE B 14 7.139 -6.922 -6.606 1.00 0.00 N ATOM 1683 CA PHE B 14 7.721 -7.999 -5.752 1.00 0.00 C ATOM 1684 C PHE B 14 8.360 -9.075 -6.633 1.00 0.00 C ATOM 1685 O PHE B 14 9.565 -9.232 -6.662 1.00 0.00 O ATOM 1686 CB PHE B 14 6.619 -8.632 -4.900 1.00 0.00 C ATOM 1687 CG PHE B 14 7.148 -8.892 -3.509 1.00 0.00 C ATOM 1688 CD1 PHE B 14 7.211 -7.848 -2.578 1.00 0.00 C ATOM 1689 CD2 PHE B 14 7.578 -10.176 -3.151 1.00 0.00 C ATOM 1690 CE1 PHE B 14 7.702 -8.089 -1.288 1.00 0.00 C ATOM 1691 CE2 PHE B 14 8.069 -10.417 -1.862 1.00 0.00 C ATOM 1692 CZ PHE B 14 8.131 -9.373 -0.931 1.00 0.00 C ATOM 0 H PHE B 14 6.126 -6.817 -6.544 1.00 0.00 H new ATOM 0 HA PHE B 14 8.482 -7.565 -5.103 1.00 0.00 H new ATOM 0 HB2 PHE B 14 5.754 -7.970 -4.854 1.00 0.00 H new ATOM 0 HB3 PHE B 14 6.284 -9.565 -5.354 1.00 0.00 H new ATOM 0 HD1 PHE B 14 6.881 -6.857 -2.854 1.00 0.00 H new ATOM 0 HD2 PHE B 14 7.531 -10.981 -3.870 1.00 0.00 H new ATOM 0 HE1 PHE B 14 7.750 -7.284 -0.569 1.00 0.00 H new ATOM 0 HE2 PHE B 14 8.400 -11.407 -1.586 1.00 0.00 H new ATOM 0 HZ PHE B 14 8.510 -9.558 0.063 1.00 0.00 H new ATOM 1702 N HIS B 15 7.564 -9.825 -7.346 1.00 0.00 N ATOM 1703 CA HIS B 15 8.129 -10.898 -8.217 1.00 0.00 C ATOM 1704 C HIS B 15 9.319 -10.353 -9.010 1.00 0.00 C ATOM 1705 O HIS B 15 10.185 -11.094 -9.431 1.00 0.00 O ATOM 1706 CB HIS B 15 7.053 -11.389 -9.186 1.00 0.00 C ATOM 1707 CG HIS B 15 7.284 -12.844 -9.492 1.00 0.00 C ATOM 1708 ND1 HIS B 15 6.504 -13.543 -10.402 1.00 0.00 N ATOM 1709 CD2 HIS B 15 8.203 -13.746 -9.016 1.00 0.00 C ATOM 1710 CE1 HIS B 15 6.965 -14.807 -10.444 1.00 0.00 C ATOM 1711 NE2 HIS B 15 8.000 -14.985 -9.618 1.00 0.00 N ATOM 0 H HIS B 15 6.548 -9.742 -7.364 1.00 0.00 H new ATOM 0 HA HIS B 15 8.464 -11.726 -7.592 1.00 0.00 H new ATOM 0 HB2 HIS B 15 6.064 -11.250 -8.750 1.00 0.00 H new ATOM 0 HB3 HIS B 15 7.081 -10.804 -10.105 1.00 0.00 H new ATOM 0 HD2 HIS B 15 8.968 -13.528 -8.285 1.00 0.00 H new ATOM 0 HE1 HIS B 15 6.549 -15.583 -11.069 1.00 0.00 H new ATOM 0 HE2 HIS B 15 8.528 -15.844 -9.462 1.00 0.00 H new ATOM 1719 N GLN B 16 9.370 -9.067 -9.222 1.00 0.00 N ATOM 1720 CA GLN B 16 10.505 -8.485 -9.994 1.00 0.00 C ATOM 1721 C GLN B 16 11.765 -8.468 -9.127 1.00 0.00 C ATOM 1722 O GLN B 16 12.811 -8.947 -9.523 1.00 0.00 O ATOM 1723 CB GLN B 16 10.156 -7.054 -10.407 1.00 0.00 C ATOM 1724 CG GLN B 16 11.005 -6.648 -11.613 1.00 0.00 C ATOM 1725 CD GLN B 16 10.099 -6.446 -12.830 1.00 0.00 C ATOM 1726 OE1 GLN B 16 9.226 -7.249 -13.091 1.00 0.00 O ATOM 1727 NE2 GLN B 16 10.271 -5.399 -13.590 1.00 0.00 N ATOM 0 H GLN B 16 8.676 -8.394 -8.895 1.00 0.00 H new ATOM 0 HA GLN B 16 10.686 -9.091 -10.882 1.00 0.00 H new ATOM 0 HB2 GLN B 16 9.097 -6.984 -10.655 1.00 0.00 H new ATOM 0 HB3 GLN B 16 10.335 -6.371 -9.577 1.00 0.00 H new ATOM 0 HG2 GLN B 16 11.550 -5.729 -11.395 1.00 0.00 H new ATOM 0 HG3 GLN B 16 11.748 -7.417 -11.823 1.00 0.00 H new ATOM 0 HE21 GLN B 16 11.004 -4.725 -13.371 1.00 0.00 H new ATOM 0 HE22 GLN B 16 9.672 -5.255 -14.403 1.00 0.00 H new ATOM 1736 N TYR B 17 11.677 -7.916 -7.947 1.00 0.00 N ATOM 1737 CA TYR B 17 12.870 -7.860 -7.055 1.00 0.00 C ATOM 1738 C TYR B 17 12.904 -9.098 -6.156 1.00 0.00 C ATOM 1739 O TYR B 17 13.551 -9.109 -5.127 1.00 0.00 O ATOM 1740 CB TYR B 17 12.795 -6.602 -6.186 1.00 0.00 C ATOM 1741 CG TYR B 17 13.072 -5.383 -7.032 1.00 0.00 C ATOM 1742 CD1 TYR B 17 12.142 -4.973 -7.995 1.00 0.00 C ATOM 1743 CD2 TYR B 17 14.261 -4.664 -6.857 1.00 0.00 C ATOM 1744 CE1 TYR B 17 12.400 -3.844 -8.781 1.00 0.00 C ATOM 1745 CE2 TYR B 17 14.519 -3.535 -7.643 1.00 0.00 C ATOM 1746 CZ TYR B 17 13.589 -3.125 -8.605 1.00 0.00 C ATOM 1747 OH TYR B 17 13.843 -2.012 -9.381 1.00 0.00 O ATOM 0 H TYR B 17 10.829 -7.501 -7.562 1.00 0.00 H new ATOM 0 HA TYR B 17 13.774 -7.833 -7.663 1.00 0.00 H new ATOM 0 HB2 TYR B 17 11.809 -6.523 -5.728 1.00 0.00 H new ATOM 0 HB3 TYR B 17 13.519 -6.665 -5.374 1.00 0.00 H new ATOM 0 HD1 TYR B 17 11.226 -5.528 -8.131 1.00 0.00 H new ATOM 0 HD2 TYR B 17 14.979 -4.981 -6.115 1.00 0.00 H new ATOM 0 HE1 TYR B 17 11.682 -3.527 -9.523 1.00 0.00 H new ATOM 0 HE2 TYR B 17 15.436 -2.980 -7.507 1.00 0.00 H new ATOM 0 HH TYR B 17 14.710 -1.630 -9.131 1.00 0.00 H new ATOM 1757 N SER B 18 12.214 -10.140 -6.530 1.00 0.00 N ATOM 1758 CA SER B 18 12.215 -11.371 -5.689 1.00 0.00 C ATOM 1759 C SER B 18 13.107 -12.430 -6.340 1.00 0.00 C ATOM 1760 O SER B 18 13.716 -13.239 -5.670 1.00 0.00 O ATOM 1761 CB SER B 18 10.789 -11.911 -5.566 1.00 0.00 C ATOM 1762 OG SER B 18 10.713 -12.783 -4.445 1.00 0.00 O ATOM 0 H SER B 18 11.651 -10.193 -7.379 1.00 0.00 H new ATOM 0 HA SER B 18 12.597 -11.131 -4.697 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.085 -11.087 -5.449 1.00 0.00 H new ATOM 0 HB3 SER B 18 10.509 -12.443 -6.475 1.00 0.00 H new ATOM 0 HG SER B 18 9.800 -13.130 -4.362 1.00 0.00 H new ATOM 1768 N GLY B 19 13.188 -12.430 -7.643 1.00 0.00 N ATOM 1769 CA GLY B 19 14.039 -13.437 -8.336 1.00 0.00 C ATOM 1770 C GLY B 19 15.513 -13.057 -8.177 1.00 0.00 C ATOM 1771 O GLY B 19 16.378 -13.908 -8.111 1.00 0.00 O ATOM 0 H GLY B 19 12.702 -11.776 -8.257 1.00 0.00 H new ATOM 0 HA2 GLY B 19 13.861 -14.428 -7.919 1.00 0.00 H new ATOM 0 HA3 GLY B 19 13.777 -13.485 -9.393 1.00 0.00 H new ATOM 1775 N ARG B 20 15.805 -11.788 -8.116 1.00 0.00 N ATOM 1776 CA ARG B 20 17.224 -11.358 -7.961 1.00 0.00 C ATOM 1777 C ARG B 20 17.821 -12.010 -6.713 1.00 0.00 C ATOM 1778 O ARG B 20 18.673 -12.871 -6.797 1.00 0.00 O ATOM 1779 CB ARG B 20 17.284 -9.835 -7.822 1.00 0.00 C ATOM 1780 CG ARG B 20 16.639 -9.185 -9.049 1.00 0.00 C ATOM 1781 CD ARG B 20 17.503 -8.014 -9.523 1.00 0.00 C ATOM 1782 NE ARG B 20 17.215 -7.733 -10.959 1.00 0.00 N ATOM 1783 CZ ARG B 20 16.355 -6.806 -11.282 1.00 0.00 C ATOM 1784 NH1 ARG B 20 16.745 -5.565 -11.392 1.00 0.00 N ATOM 1785 NH2 ARG B 20 15.106 -7.119 -11.499 1.00 0.00 N ATOM 0 H ARG B 20 15.124 -11.030 -8.167 1.00 0.00 H new ATOM 0 HA ARG B 20 17.794 -11.664 -8.838 1.00 0.00 H new ATOM 0 HB2 ARG B 20 16.766 -9.521 -6.916 1.00 0.00 H new ATOM 0 HB3 ARG B 20 18.319 -9.508 -7.726 1.00 0.00 H new ATOM 0 HG2 ARG B 20 16.533 -9.919 -9.848 1.00 0.00 H new ATOM 0 HG3 ARG B 20 15.637 -8.834 -8.803 1.00 0.00 H new ATOM 0 HD2 ARG B 20 17.298 -7.129 -8.920 1.00 0.00 H new ATOM 0 HD3 ARG B 20 18.559 -8.251 -9.392 1.00 0.00 H new ATOM 0 HE ARG B 20 17.690 -8.265 -11.688 1.00 0.00 H new ATOM 0 HH11 ARG B 20 17.721 -5.321 -11.226 1.00 0.00 H new ATOM 0 HH12 ARG B 20 16.074 -4.840 -11.644 1.00 0.00 H new ATOM 0 HH21 ARG B 20 14.801 -8.089 -11.416 1.00 0.00 H new ATOM 0 HH22 ARG B 20 14.435 -6.394 -11.751 1.00 0.00 H new ATOM 1799 N GLU B 21 17.377 -11.605 -5.557 1.00 0.00 N ATOM 1800 CA GLU B 21 17.915 -12.200 -4.302 1.00 0.00 C ATOM 1801 C GLU B 21 16.766 -12.798 -3.487 1.00 0.00 C ATOM 1802 O GLU B 21 15.677 -13.001 -3.989 1.00 0.00 O ATOM 1803 CB GLU B 21 18.613 -11.113 -3.478 1.00 0.00 C ATOM 1804 CG GLU B 21 20.120 -11.378 -3.456 1.00 0.00 C ATOM 1805 CD GLU B 21 20.781 -10.479 -2.410 1.00 0.00 C ATOM 1806 OE1 GLU B 21 20.102 -9.608 -1.891 1.00 0.00 O ATOM 1807 OE2 GLU B 21 21.956 -10.675 -2.146 1.00 0.00 O ATOM 0 H GLU B 21 16.664 -10.887 -5.426 1.00 0.00 H new ATOM 0 HA GLU B 21 18.631 -12.983 -4.550 1.00 0.00 H new ATOM 0 HB2 GLU B 21 18.412 -10.131 -3.907 1.00 0.00 H new ATOM 0 HB3 GLU B 21 18.220 -11.104 -2.461 1.00 0.00 H new ATOM 0 HG2 GLU B 21 20.312 -12.426 -3.224 1.00 0.00 H new ATOM 0 HG3 GLU B 21 20.548 -11.185 -4.440 1.00 0.00 H new ATOM 1814 N GLY B 22 16.997 -13.083 -2.234 1.00 0.00 N ATOM 1815 CA GLY B 22 15.916 -13.668 -1.391 1.00 0.00 C ATOM 1816 C GLY B 22 15.302 -14.871 -2.109 1.00 0.00 C ATOM 1817 O GLY B 22 15.683 -15.208 -3.212 1.00 0.00 O ATOM 0 H GLY B 22 17.887 -12.936 -1.758 1.00 0.00 H new ATOM 0 HA2 GLY B 22 16.319 -13.974 -0.426 1.00 0.00 H new ATOM 0 HA3 GLY B 22 15.149 -12.919 -1.193 1.00 0.00 H new ATOM 1821 N ASP B 23 14.353 -15.521 -1.492 1.00 0.00 N ATOM 1822 CA ASP B 23 13.715 -16.697 -2.137 1.00 0.00 C ATOM 1823 C ASP B 23 12.879 -16.233 -3.331 1.00 0.00 C ATOM 1824 O ASP B 23 13.094 -15.168 -3.875 1.00 0.00 O ATOM 1825 CB ASP B 23 12.813 -17.394 -1.120 1.00 0.00 C ATOM 1826 CG ASP B 23 13.629 -17.760 0.121 1.00 0.00 C ATOM 1827 OD1 ASP B 23 13.719 -16.931 1.013 1.00 0.00 O ATOM 1828 OD2 ASP B 23 14.151 -18.863 0.159 1.00 0.00 O ATOM 0 H ASP B 23 13.993 -15.286 -0.567 1.00 0.00 H new ATOM 0 HA ASP B 23 14.482 -17.390 -2.483 1.00 0.00 H new ATOM 0 HB2 ASP B 23 11.985 -16.740 -0.844 1.00 0.00 H new ATOM 0 HB3 ASP B 23 12.378 -18.291 -1.559 1.00 0.00 H new ATOM 1833 N LYS B 24 11.925 -17.024 -3.744 1.00 0.00 N ATOM 1834 CA LYS B 24 11.077 -16.626 -4.904 1.00 0.00 C ATOM 1835 C LYS B 24 9.806 -15.936 -4.398 1.00 0.00 C ATOM 1836 O LYS B 24 8.919 -15.613 -5.163 1.00 0.00 O ATOM 1837 CB LYS B 24 10.698 -17.873 -5.708 1.00 0.00 C ATOM 1838 CG LYS B 24 11.959 -18.500 -6.307 1.00 0.00 C ATOM 1839 CD LYS B 24 11.945 -18.326 -7.829 1.00 0.00 C ATOM 1840 CE LYS B 24 12.377 -19.634 -8.497 1.00 0.00 C ATOM 1841 NZ LYS B 24 11.425 -19.973 -9.593 1.00 0.00 N ATOM 0 H LYS B 24 11.697 -17.927 -3.329 1.00 0.00 H new ATOM 0 HA LYS B 24 11.632 -15.937 -5.541 1.00 0.00 H new ATOM 0 HB2 LYS B 24 10.192 -18.593 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS B 24 9.999 -17.608 -6.501 1.00 0.00 H new ATOM 0 HG2 LYS B 24 12.847 -18.030 -5.885 1.00 0.00 H new ATOM 0 HG3 LYS B 24 12.007 -19.559 -6.052 1.00 0.00 H new ATOM 0 HD2 LYS B 24 10.946 -18.047 -8.164 1.00 0.00 H new ATOM 0 HD3 LYS B 24 12.616 -17.518 -8.119 1.00 0.00 H new ATOM 0 HE2 LYS B 24 13.386 -19.534 -8.896 1.00 0.00 H new ATOM 0 HE3 LYS B 24 12.403 -20.438 -7.762 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 11.719 -20.862 -10.046 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 10.469 -20.085 -9.200 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 11.422 -19.209 -10.299 1.00 0.00 H new ATOM 1855 N HIS B 25 9.711 -15.707 -3.115 1.00 0.00 N ATOM 1856 CA HIS B 25 8.496 -15.038 -2.564 1.00 0.00 C ATOM 1857 C HIS B 25 8.867 -14.278 -1.288 1.00 0.00 C ATOM 1858 O HIS B 25 8.052 -14.087 -0.407 1.00 0.00 O ATOM 1859 CB HIS B 25 7.435 -16.091 -2.240 1.00 0.00 C ATOM 1860 CG HIS B 25 7.205 -16.958 -3.448 1.00 0.00 C ATOM 1861 ND1 HIS B 25 7.797 -18.204 -3.585 1.00 0.00 N ATOM 1862 CD2 HIS B 25 6.452 -16.773 -4.580 1.00 0.00 C ATOM 1863 CE1 HIS B 25 7.394 -18.716 -4.763 1.00 0.00 C ATOM 1864 NE2 HIS B 25 6.573 -17.884 -5.410 1.00 0.00 N ATOM 0 H HIS B 25 10.421 -15.954 -2.426 1.00 0.00 H new ATOM 0 HA HIS B 25 8.100 -14.340 -3.302 1.00 0.00 H new ATOM 0 HB2 HIS B 25 7.759 -16.702 -1.397 1.00 0.00 H new ATOM 0 HB3 HIS B 25 6.505 -15.606 -1.944 1.00 0.00 H new ATOM 0 HD2 HIS B 25 5.856 -15.898 -4.795 1.00 0.00 H new ATOM 0 HE1 HIS B 25 7.697 -19.682 -5.139 1.00 0.00 H new ATOM 0 HE2 HIS B 25 6.130 -18.031 -6.317 1.00 0.00 H new ATOM 1872 N LYS B 26 10.093 -13.843 -1.182 1.00 0.00 N ATOM 1873 CA LYS B 26 10.522 -13.097 0.034 1.00 0.00 C ATOM 1874 C LYS B 26 11.491 -11.985 -0.375 1.00 0.00 C ATOM 1875 O LYS B 26 12.357 -12.179 -1.206 1.00 0.00 O ATOM 1876 CB LYS B 26 11.226 -14.051 1.002 1.00 0.00 C ATOM 1877 CG LYS B 26 10.441 -15.363 1.097 1.00 0.00 C ATOM 1878 CD LYS B 26 9.213 -15.159 1.988 1.00 0.00 C ATOM 1879 CE LYS B 26 9.542 -15.591 3.420 1.00 0.00 C ATOM 1880 NZ LYS B 26 10.130 -16.960 3.403 1.00 0.00 N ATOM 0 H LYS B 26 10.818 -13.973 -1.888 1.00 0.00 H new ATOM 0 HA LYS B 26 9.649 -12.666 0.523 1.00 0.00 H new ATOM 0 HB2 LYS B 26 12.242 -14.248 0.659 1.00 0.00 H new ATOM 0 HB3 LYS B 26 11.305 -13.591 1.987 1.00 0.00 H new ATOM 0 HG2 LYS B 26 10.133 -15.688 0.103 1.00 0.00 H new ATOM 0 HG3 LYS B 26 11.075 -16.150 1.507 1.00 0.00 H new ATOM 0 HD2 LYS B 26 8.910 -14.112 1.973 1.00 0.00 H new ATOM 0 HD3 LYS B 26 8.373 -15.739 1.606 1.00 0.00 H new ATOM 0 HE2 LYS B 26 10.242 -14.888 3.871 1.00 0.00 H new ATOM 0 HE3 LYS B 26 8.640 -15.579 4.031 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 9.824 -17.480 4.250 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 9.810 -17.465 2.552 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 11.168 -16.892 3.395 1.00 0.00 H new ATOM 1894 N LEU B 27 11.353 -10.824 0.200 1.00 0.00 N ATOM 1895 CA LEU B 27 12.267 -9.702 -0.157 1.00 0.00 C ATOM 1896 C LEU B 27 13.432 -9.657 0.835 1.00 0.00 C ATOM 1897 O LEU B 27 13.758 -10.642 1.469 1.00 0.00 O ATOM 1898 CB LEU B 27 11.491 -8.383 -0.096 1.00 0.00 C ATOM 1899 CG LEU B 27 11.513 -7.712 -1.471 1.00 0.00 C ATOM 1900 CD1 LEU B 27 12.927 -7.216 -1.778 1.00 0.00 C ATOM 1901 CD2 LEU B 27 11.085 -8.725 -2.535 1.00 0.00 C ATOM 0 H LEU B 27 10.647 -10.602 0.902 1.00 0.00 H new ATOM 0 HA LEU B 27 12.657 -9.852 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU B 27 10.462 -8.568 0.213 1.00 0.00 H new ATOM 0 HB3 LEU B 27 11.934 -7.723 0.650 1.00 0.00 H new ATOM 0 HG LEU B 27 10.826 -6.866 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU B 27 12.940 -6.738 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU B 27 13.233 -6.496 -1.019 1.00 0.00 H new ATOM 0 HD13 LEU B 27 13.617 -8.060 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU B 27 11.100 -8.250 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.773 -9.570 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU B 27 10.077 -9.077 -2.317 1.00 0.00 H new ATOM 1913 N LYS B 28 14.061 -8.522 0.974 1.00 0.00 N ATOM 1914 CA LYS B 28 15.197 -8.399 1.927 1.00 0.00 C ATOM 1915 C LYS B 28 15.244 -6.960 2.435 1.00 0.00 C ATOM 1916 O LYS B 28 14.593 -6.090 1.895 1.00 0.00 O ATOM 1917 CB LYS B 28 16.509 -8.735 1.211 1.00 0.00 C ATOM 1918 CG LYS B 28 17.148 -9.966 1.856 1.00 0.00 C ATOM 1919 CD LYS B 28 18.440 -9.560 2.570 1.00 0.00 C ATOM 1920 CE LYS B 28 19.574 -9.443 1.549 1.00 0.00 C ATOM 1921 NZ LYS B 28 20.271 -10.755 1.429 1.00 0.00 N ATOM 0 H LYS B 28 13.834 -7.669 0.463 1.00 0.00 H new ATOM 0 HA LYS B 28 15.064 -9.088 2.761 1.00 0.00 H new ATOM 0 HB2 LYS B 28 16.320 -8.923 0.154 1.00 0.00 H new ATOM 0 HB3 LYS B 28 17.192 -7.887 1.267 1.00 0.00 H new ATOM 0 HG2 LYS B 28 16.455 -10.418 2.566 1.00 0.00 H new ATOM 0 HG3 LYS B 28 17.361 -10.718 1.096 1.00 0.00 H new ATOM 0 HD2 LYS B 28 18.300 -8.609 3.084 1.00 0.00 H new ATOM 0 HD3 LYS B 28 18.695 -10.299 3.330 1.00 0.00 H new ATOM 0 HE2 LYS B 28 19.176 -9.141 0.580 1.00 0.00 H new ATOM 0 HE3 LYS B 28 20.279 -8.672 1.859 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 21.042 -10.676 0.735 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 20.663 -11.026 2.353 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 19.595 -11.480 1.114 1.00 0.00 H new ATOM 1935 N LYS B 29 16.004 -6.691 3.457 1.00 0.00 N ATOM 1936 CA LYS B 29 16.074 -5.288 3.960 1.00 0.00 C ATOM 1937 C LYS B 29 16.951 -4.477 3.008 1.00 0.00 C ATOM 1938 O LYS B 29 16.755 -3.294 2.820 1.00 0.00 O ATOM 1939 CB LYS B 29 16.647 -5.289 5.385 1.00 0.00 C ATOM 1940 CG LYS B 29 17.645 -4.132 5.605 1.00 0.00 C ATOM 1941 CD LYS B 29 19.013 -4.432 4.956 1.00 0.00 C ATOM 1942 CE LYS B 29 19.297 -5.941 4.910 1.00 0.00 C ATOM 1943 NZ LYS B 29 20.617 -6.174 4.259 1.00 0.00 N ATOM 0 H LYS B 29 16.574 -7.370 3.962 1.00 0.00 H new ATOM 0 HA LYS B 29 15.083 -4.836 3.996 1.00 0.00 H new ATOM 0 HB2 LYS B 29 15.832 -5.207 6.104 1.00 0.00 H new ATOM 0 HB3 LYS B 29 17.145 -6.240 5.575 1.00 0.00 H new ATOM 0 HG2 LYS B 29 17.236 -3.213 5.185 1.00 0.00 H new ATOM 0 HG3 LYS B 29 17.778 -3.963 6.674 1.00 0.00 H new ATOM 0 HD2 LYS B 29 19.034 -4.026 3.945 1.00 0.00 H new ATOM 0 HD3 LYS B 29 19.801 -3.930 5.517 1.00 0.00 H new ATOM 0 HE2 LYS B 29 19.298 -6.353 5.919 1.00 0.00 H new ATOM 0 HE3 LYS B 29 18.510 -6.454 4.357 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 20.555 -7.005 3.637 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 20.879 -5.339 3.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 21.339 -6.341 4.988 1.00 0.00 H new ATOM 1957 N SER B 30 17.922 -5.107 2.411 1.00 0.00 N ATOM 1958 CA SER B 30 18.817 -4.375 1.468 1.00 0.00 C ATOM 1959 C SER B 30 18.115 -4.213 0.115 1.00 0.00 C ATOM 1960 O SER B 30 18.366 -3.274 -0.613 1.00 0.00 O ATOM 1961 CB SER B 30 20.116 -5.160 1.280 1.00 0.00 C ATOM 1962 OG SER B 30 21.208 -4.381 1.750 1.00 0.00 O ATOM 0 H SER B 30 18.136 -6.097 2.534 1.00 0.00 H new ATOM 0 HA SER B 30 19.045 -3.391 1.877 1.00 0.00 H new ATOM 0 HB2 SER B 30 20.066 -6.103 1.824 1.00 0.00 H new ATOM 0 HB3 SER B 30 20.256 -5.406 0.228 1.00 0.00 H new ATOM 0 HG SER B 30 22.042 -4.882 1.632 1.00 0.00 H new ATOM 1968 N GLU B 31 17.229 -5.111 -0.220 1.00 0.00 N ATOM 1969 CA GLU B 31 16.508 -4.994 -1.517 1.00 0.00 C ATOM 1970 C GLU B 31 15.244 -4.171 -1.288 1.00 0.00 C ATOM 1971 O GLU B 31 14.698 -3.581 -2.196 1.00 0.00 O ATOM 1972 CB GLU B 31 16.134 -6.388 -2.027 1.00 0.00 C ATOM 1973 CG GLU B 31 15.989 -6.353 -3.550 1.00 0.00 C ATOM 1974 CD GLU B 31 17.122 -7.159 -4.190 1.00 0.00 C ATOM 1975 OE1 GLU B 31 18.053 -7.500 -3.479 1.00 0.00 O ATOM 1976 OE2 GLU B 31 17.038 -7.420 -5.378 1.00 0.00 O ATOM 0 H GLU B 31 16.974 -5.919 0.348 1.00 0.00 H new ATOM 0 HA GLU B 31 17.142 -4.509 -2.259 1.00 0.00 H new ATOM 0 HB2 GLU B 31 16.900 -7.109 -1.741 1.00 0.00 H new ATOM 0 HB3 GLU B 31 15.200 -6.716 -1.570 1.00 0.00 H new ATOM 0 HG2 GLU B 31 15.024 -6.766 -3.844 1.00 0.00 H new ATOM 0 HG3 GLU B 31 16.016 -5.323 -3.905 1.00 0.00 H new ATOM 1983 N LEU B 32 14.789 -4.116 -0.069 1.00 0.00 N ATOM 1984 CA LEU B 32 13.580 -3.313 0.240 1.00 0.00 C ATOM 1985 C LEU B 32 14.010 -1.856 0.394 1.00 0.00 C ATOM 1986 O LEU B 32 13.324 -0.944 -0.017 1.00 0.00 O ATOM 1987 CB LEU B 32 12.950 -3.817 1.542 1.00 0.00 C ATOM 1988 CG LEU B 32 12.003 -2.756 2.117 1.00 0.00 C ATOM 1989 CD1 LEU B 32 11.134 -2.173 1.000 1.00 0.00 C ATOM 1990 CD2 LEU B 32 11.106 -3.401 3.176 1.00 0.00 C ATOM 0 H LEU B 32 15.206 -4.596 0.729 1.00 0.00 H new ATOM 0 HA LEU B 32 12.843 -3.403 -0.558 1.00 0.00 H new ATOM 0 HB2 LEU B 32 12.403 -4.741 1.356 1.00 0.00 H new ATOM 0 HB3 LEU B 32 13.731 -4.049 2.266 1.00 0.00 H new ATOM 0 HG LEU B 32 12.589 -1.956 2.568 1.00 0.00 H new ATOM 0 HD11 LEU B 32 10.464 -1.420 1.416 1.00 0.00 H new ATOM 0 HD12 LEU B 32 11.772 -1.714 0.245 1.00 0.00 H new ATOM 0 HD13 LEU B 32 10.546 -2.969 0.543 1.00 0.00 H new ATOM 0 HD21 LEU B 32 10.431 -2.650 3.587 1.00 0.00 H new ATOM 0 HD22 LEU B 32 10.524 -4.202 2.721 1.00 0.00 H new ATOM 0 HD23 LEU B 32 11.724 -3.811 3.975 1.00 0.00 H new ATOM 2002 N LYS B 33 15.158 -1.641 0.978 1.00 0.00 N ATOM 2003 CA LYS B 33 15.665 -0.256 1.160 1.00 0.00 C ATOM 2004 C LYS B 33 15.942 0.344 -0.213 1.00 0.00 C ATOM 2005 O LYS B 33 15.782 1.527 -0.434 1.00 0.00 O ATOM 2006 CB LYS B 33 16.960 -0.306 1.967 1.00 0.00 C ATOM 2007 CG LYS B 33 17.066 0.944 2.844 1.00 0.00 C ATOM 2008 CD LYS B 33 18.538 1.328 3.007 1.00 0.00 C ATOM 2009 CE LYS B 33 18.664 2.436 4.054 1.00 0.00 C ATOM 2010 NZ LYS B 33 19.781 3.349 3.677 1.00 0.00 N ATOM 0 H LYS B 33 15.769 -2.374 1.339 1.00 0.00 H new ATOM 0 HA LYS B 33 14.931 0.353 1.688 1.00 0.00 H new ATOM 0 HB2 LYS B 33 16.979 -1.201 2.588 1.00 0.00 H new ATOM 0 HB3 LYS B 33 17.817 -0.366 1.296 1.00 0.00 H new ATOM 0 HG2 LYS B 33 16.512 1.767 2.392 1.00 0.00 H new ATOM 0 HG3 LYS B 33 16.618 0.756 3.820 1.00 0.00 H new ATOM 0 HD2 LYS B 33 19.120 0.458 3.311 1.00 0.00 H new ATOM 0 HD3 LYS B 33 18.944 1.666 2.054 1.00 0.00 H new ATOM 0 HE2 LYS B 33 17.731 2.995 4.123 1.00 0.00 H new ATOM 0 HE3 LYS B 33 18.849 2.003 5.037 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 20.391 3.512 4.504 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 20.340 2.917 2.914 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 19.392 4.256 3.350 1.00 0.00 H new ATOM 2024 N GLU B 34 16.347 -0.475 -1.139 1.00 0.00 N ATOM 2025 CA GLU B 34 16.625 0.025 -2.511 1.00 0.00 C ATOM 2026 C GLU B 34 15.298 0.149 -3.251 1.00 0.00 C ATOM 2027 O GLU B 34 15.066 1.076 -3.991 1.00 0.00 O ATOM 2028 CB GLU B 34 17.556 -0.964 -3.233 1.00 0.00 C ATOM 2029 CG GLU B 34 16.756 -2.125 -3.842 1.00 0.00 C ATOM 2030 CD GLU B 34 17.655 -2.923 -4.787 1.00 0.00 C ATOM 2031 OE1 GLU B 34 18.632 -2.364 -5.258 1.00 0.00 O ATOM 2032 OE2 GLU B 34 17.353 -4.082 -5.023 1.00 0.00 O ATOM 0 H GLU B 34 16.498 -1.475 -1.004 1.00 0.00 H new ATOM 0 HA GLU B 34 17.115 0.998 -2.477 1.00 0.00 H new ATOM 0 HB2 GLU B 34 18.106 -0.445 -4.018 1.00 0.00 H new ATOM 0 HB3 GLU B 34 18.293 -1.354 -2.531 1.00 0.00 H new ATOM 0 HG2 GLU B 34 16.375 -2.772 -3.052 1.00 0.00 H new ATOM 0 HG3 GLU B 34 15.892 -1.741 -4.383 1.00 0.00 H new ATOM 2039 N LEU B 35 14.427 -0.789 -3.035 1.00 0.00 N ATOM 2040 CA LEU B 35 13.097 -0.753 -3.700 1.00 0.00 C ATOM 2041 C LEU B 35 12.475 0.633 -3.500 1.00 0.00 C ATOM 2042 O LEU B 35 12.050 1.282 -4.439 1.00 0.00 O ATOM 2043 CB LEU B 35 12.200 -1.819 -3.060 1.00 0.00 C ATOM 2044 CG LEU B 35 11.455 -2.594 -4.151 1.00 0.00 C ATOM 2045 CD1 LEU B 35 10.783 -1.616 -5.116 1.00 0.00 C ATOM 2046 CD2 LEU B 35 12.447 -3.469 -4.920 1.00 0.00 C ATOM 0 H LEU B 35 14.579 -1.589 -2.420 1.00 0.00 H new ATOM 0 HA LEU B 35 13.201 -0.951 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU B 35 12.802 -2.503 -2.462 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.486 -1.348 -2.384 1.00 0.00 H new ATOM 0 HG LEU B 35 10.693 -3.222 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU B 35 10.255 -2.173 -5.890 1.00 0.00 H new ATOM 0 HD12 LEU B 35 10.074 -0.994 -4.569 1.00 0.00 H new ATOM 0 HD13 LEU B 35 11.540 -0.983 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU B 35 11.919 -4.021 -5.697 1.00 0.00 H new ATOM 0 HD22 LEU B 35 13.209 -2.839 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU B 35 12.921 -4.171 -4.234 1.00 0.00 H new ATOM 2058 N ILE B 36 12.421 1.089 -2.279 1.00 0.00 N ATOM 2059 CA ILE B 36 11.828 2.430 -2.000 1.00 0.00 C ATOM 2060 C ILE B 36 12.855 3.521 -2.316 1.00 0.00 C ATOM 2061 O ILE B 36 12.591 4.459 -3.034 1.00 0.00 O ATOM 2062 CB ILE B 36 11.444 2.521 -0.515 1.00 0.00 C ATOM 2063 CG1 ILE B 36 11.150 1.110 0.031 1.00 0.00 C ATOM 2064 CG2 ILE B 36 10.213 3.420 -0.361 1.00 0.00 C ATOM 2065 CD1 ILE B 36 10.173 1.176 1.212 1.00 0.00 C ATOM 0 H ILE B 36 12.763 0.589 -1.458 1.00 0.00 H new ATOM 0 HA ILE B 36 10.942 2.567 -2.620 1.00 0.00 H new ATOM 0 HB ILE B 36 12.269 2.951 0.052 1.00 0.00 H new ATOM 0 HG12 ILE B 36 10.730 0.489 -0.760 1.00 0.00 H new ATOM 0 HG13 ILE B 36 12.079 0.637 0.348 1.00 0.00 H new ATOM 0 HG21 ILE B 36 9.940 3.485 0.692 1.00 0.00 H new ATOM 0 HG22 ILE B 36 10.441 4.417 -0.739 1.00 0.00 H new ATOM 0 HG23 ILE B 36 9.382 2.999 -0.926 1.00 0.00 H new ATOM 0 HD11 ILE B 36 9.980 0.169 1.581 1.00 0.00 H new ATOM 0 HD12 ILE B 36 10.607 1.778 2.010 1.00 0.00 H new ATOM 0 HD13 ILE B 36 9.237 1.628 0.885 1.00 0.00 H new ATOM 2077 N ASN B 37 14.023 3.403 -1.766 1.00 0.00 N ATOM 2078 CA ASN B 37 15.084 4.430 -1.998 1.00 0.00 C ATOM 2079 C ASN B 37 15.531 4.453 -3.467 1.00 0.00 C ATOM 2080 O ASN B 37 16.372 5.243 -3.847 1.00 0.00 O ATOM 2081 CB ASN B 37 16.289 4.113 -1.113 1.00 0.00 C ATOM 2082 CG ASN B 37 17.202 5.337 -1.038 1.00 0.00 C ATOM 2083 OD1 ASN B 37 18.055 5.526 -1.883 1.00 0.00 O ATOM 2084 ND2 ASN B 37 17.058 6.183 -0.055 1.00 0.00 N ATOM 0 H ASN B 37 14.298 2.632 -1.157 1.00 0.00 H new ATOM 0 HA ASN B 37 14.673 5.409 -1.751 1.00 0.00 H new ATOM 0 HB2 ASN B 37 15.956 3.833 -0.114 1.00 0.00 H new ATOM 0 HB3 ASN B 37 16.837 3.262 -1.517 1.00 0.00 H new ATOM 0 HD21 ASN B 37 17.661 7.003 0.004 1.00 0.00 H new ATOM 0 HD22 ASN B 37 16.342 6.024 0.654 1.00 0.00 H new ATOM 2091 N ASN B 38 14.990 3.606 -4.298 1.00 0.00 N ATOM 2092 CA ASN B 38 15.406 3.609 -5.731 1.00 0.00 C ATOM 2093 C ASN B 38 14.367 4.365 -6.559 1.00 0.00 C ATOM 2094 O ASN B 38 14.701 5.163 -7.413 1.00 0.00 O ATOM 2095 CB ASN B 38 15.514 2.170 -6.242 1.00 0.00 C ATOM 2096 CG ASN B 38 15.959 2.178 -7.706 1.00 0.00 C ATOM 2097 OD1 ASN B 38 17.126 2.356 -7.998 1.00 0.00 O ATOM 2098 ND2 ASN B 38 15.073 1.991 -8.645 1.00 0.00 N ATOM 0 H ASN B 38 14.282 2.915 -4.050 1.00 0.00 H new ATOM 0 HA ASN B 38 16.376 4.098 -5.824 1.00 0.00 H new ATOM 0 HB2 ASN B 38 16.228 1.611 -5.637 1.00 0.00 H new ATOM 0 HB3 ASN B 38 14.552 1.666 -6.146 1.00 0.00 H new ATOM 0 HD21 ASN B 38 15.359 1.994 -9.624 1.00 0.00 H new ATOM 0 HD22 ASN B 38 14.094 1.842 -8.400 1.00 0.00 H new ATOM 2105 N GLU B 39 13.109 4.121 -6.312 1.00 0.00 N ATOM 2106 CA GLU B 39 12.051 4.827 -7.086 1.00 0.00 C ATOM 2107 C GLU B 39 11.214 5.686 -6.134 1.00 0.00 C ATOM 2108 O GLU B 39 10.782 6.770 -6.474 1.00 0.00 O ATOM 2109 CB GLU B 39 11.151 3.794 -7.768 1.00 0.00 C ATOM 2110 CG GLU B 39 10.216 4.500 -8.749 1.00 0.00 C ATOM 2111 CD GLU B 39 11.019 5.005 -9.949 1.00 0.00 C ATOM 2112 OE1 GLU B 39 12.066 4.440 -10.217 1.00 0.00 O ATOM 2113 OE2 GLU B 39 10.575 5.950 -10.579 1.00 0.00 O ATOM 0 H GLU B 39 12.769 3.465 -5.609 1.00 0.00 H new ATOM 0 HA GLU B 39 12.511 5.465 -7.841 1.00 0.00 H new ATOM 0 HB2 GLU B 39 11.759 3.058 -8.294 1.00 0.00 H new ATOM 0 HB3 GLU B 39 10.570 3.253 -7.021 1.00 0.00 H new ATOM 0 HG2 GLU B 39 9.437 3.814 -9.082 1.00 0.00 H new ATOM 0 HG3 GLU B 39 9.717 5.334 -8.255 1.00 0.00 H new ATOM 2120 N LEU B 40 10.980 5.205 -4.946 1.00 0.00 N ATOM 2121 CA LEU B 40 10.168 5.975 -3.963 1.00 0.00 C ATOM 2122 C LEU B 40 10.993 7.141 -3.409 1.00 0.00 C ATOM 2123 O LEU B 40 10.461 8.093 -2.873 1.00 0.00 O ATOM 2124 CB LEU B 40 9.773 5.040 -2.815 1.00 0.00 C ATOM 2125 CG LEU B 40 8.668 4.065 -3.249 1.00 0.00 C ATOM 2126 CD1 LEU B 40 7.314 4.646 -2.866 1.00 0.00 C ATOM 2127 CD2 LEU B 40 8.706 3.828 -4.766 1.00 0.00 C ATOM 0 H LEU B 40 11.319 4.303 -4.611 1.00 0.00 H new ATOM 0 HA LEU B 40 9.276 6.370 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU B 40 10.646 4.479 -2.482 1.00 0.00 H new ATOM 0 HB3 LEU B 40 9.429 5.629 -1.965 1.00 0.00 H new ATOM 0 HG LEU B 40 8.829 3.111 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU B 40 6.524 3.960 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU B 40 7.272 4.791 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU B 40 7.175 5.604 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU B 40 7.913 3.134 -5.046 1.00 0.00 H new ATOM 0 HD22 LEU B 40 8.560 4.775 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU B 40 9.672 3.407 -5.044 1.00 0.00 H new ATOM 2139 N SER B 41 12.289 7.069 -3.528 1.00 0.00 N ATOM 2140 CA SER B 41 13.155 8.163 -3.003 1.00 0.00 C ATOM 2141 C SER B 41 12.992 9.417 -3.866 1.00 0.00 C ATOM 2142 O SER B 41 13.472 10.481 -3.525 1.00 0.00 O ATOM 2143 CB SER B 41 14.616 7.708 -3.030 1.00 0.00 C ATOM 2144 OG SER B 41 15.442 8.789 -3.447 1.00 0.00 O ATOM 0 H SER B 41 12.789 6.296 -3.968 1.00 0.00 H new ATOM 0 HA SER B 41 12.862 8.396 -1.979 1.00 0.00 H new ATOM 0 HB2 SER B 41 14.920 7.365 -2.041 1.00 0.00 H new ATOM 0 HB3 SER B 41 14.733 6.864 -3.710 1.00 0.00 H new ATOM 0 HG SER B 41 16.378 8.498 -3.463 1.00 0.00 H new ATOM 2150 N HIS B 42 12.322 9.307 -4.981 1.00 0.00 N ATOM 2151 CA HIS B 42 12.137 10.501 -5.855 1.00 0.00 C ATOM 2152 C HIS B 42 10.901 11.283 -5.399 1.00 0.00 C ATOM 2153 O HIS B 42 10.376 12.108 -6.120 1.00 0.00 O ATOM 2154 CB HIS B 42 11.954 10.052 -7.306 1.00 0.00 C ATOM 2155 CG HIS B 42 12.546 11.086 -8.226 1.00 0.00 C ATOM 2156 ND1 HIS B 42 13.814 10.953 -8.770 1.00 0.00 N ATOM 2157 CD2 HIS B 42 12.056 12.276 -8.705 1.00 0.00 C ATOM 2158 CE1 HIS B 42 14.043 12.034 -9.537 1.00 0.00 C ATOM 2159 NE2 HIS B 42 13.003 12.874 -9.532 1.00 0.00 N ATOM 0 H HIS B 42 11.896 8.446 -5.324 1.00 0.00 H new ATOM 0 HA HIS B 42 13.017 11.141 -5.784 1.00 0.00 H new ATOM 0 HB2 HIS B 42 12.438 9.088 -7.464 1.00 0.00 H new ATOM 0 HB3 HIS B 42 10.895 9.917 -7.526 1.00 0.00 H new ATOM 0 HD2 HIS B 42 11.084 12.686 -8.475 1.00 0.00 H new ATOM 0 HE1 HIS B 42 14.956 12.203 -10.089 1.00 0.00 H new ATOM 0 HE2 HIS B 42 12.921 13.762 -10.027 1.00 0.00 H new ATOM 2167 N PHE B 43 10.435 11.030 -4.205 1.00 0.00 N ATOM 2168 CA PHE B 43 9.237 11.760 -3.701 1.00 0.00 C ATOM 2169 C PHE B 43 9.518 12.282 -2.291 1.00 0.00 C ATOM 2170 O PHE B 43 8.925 11.842 -1.325 1.00 0.00 O ATOM 2171 CB PHE B 43 8.039 10.807 -3.663 1.00 0.00 C ATOM 2172 CG PHE B 43 7.832 10.209 -5.034 1.00 0.00 C ATOM 2173 CD1 PHE B 43 7.605 11.044 -6.135 1.00 0.00 C ATOM 2174 CD2 PHE B 43 7.867 8.820 -5.205 1.00 0.00 C ATOM 2175 CE1 PHE B 43 7.414 10.490 -7.407 1.00 0.00 C ATOM 2176 CE2 PHE B 43 7.675 8.266 -6.476 1.00 0.00 C ATOM 2177 CZ PHE B 43 7.448 9.101 -7.577 1.00 0.00 C ATOM 0 H PHE B 43 10.833 10.349 -3.558 1.00 0.00 H new ATOM 0 HA PHE B 43 9.014 12.597 -4.362 1.00 0.00 H new ATOM 0 HB2 PHE B 43 8.211 10.017 -2.932 1.00 0.00 H new ATOM 0 HB3 PHE B 43 7.143 11.343 -3.349 1.00 0.00 H new ATOM 0 HD1 PHE B 43 7.577 12.116 -6.003 1.00 0.00 H new ATOM 0 HD2 PHE B 43 8.042 8.176 -4.356 1.00 0.00 H new ATOM 0 HE1 PHE B 43 7.241 11.134 -8.256 1.00 0.00 H new ATOM 0 HE2 PHE B 43 7.702 7.194 -6.608 1.00 0.00 H new ATOM 0 HZ PHE B 43 7.299 8.673 -8.557 1.00 0.00 H new ATOM 2187 N LEU B 44 10.420 13.216 -2.166 1.00 0.00 N ATOM 2188 CA LEU B 44 10.742 13.764 -0.818 1.00 0.00 C ATOM 2189 C LEU B 44 11.013 15.272 -0.930 1.00 0.00 C ATOM 2190 O LEU B 44 10.175 16.022 -1.390 1.00 0.00 O ATOM 2191 CB LEU B 44 11.970 13.040 -0.259 1.00 0.00 C ATOM 2192 CG LEU B 44 11.635 11.565 -0.032 1.00 0.00 C ATOM 2193 CD1 LEU B 44 11.798 10.796 -1.345 1.00 0.00 C ATOM 2194 CD2 LEU B 44 12.583 10.982 1.020 1.00 0.00 C ATOM 0 H LEU B 44 10.948 13.623 -2.938 1.00 0.00 H new ATOM 0 HA LEU B 44 9.901 13.608 -0.142 1.00 0.00 H new ATOM 0 HB2 LEU B 44 12.806 13.131 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU B 44 12.282 13.501 0.678 1.00 0.00 H new ATOM 0 HG LEU B 44 10.606 11.477 0.316 1.00 0.00 H new ATOM 0 HD11 LEU B 44 11.559 9.745 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU B 44 11.124 11.210 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU B 44 12.827 10.885 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU B 44 12.345 9.931 1.182 1.00 0.00 H new ATOM 0 HD22 LEU B 44 13.612 11.071 0.672 1.00 0.00 H new ATOM 0 HD23 LEU B 44 12.468 11.529 1.956 1.00 0.00 H new ATOM 2206 N GLU B 45 12.166 15.732 -0.508 1.00 0.00 N ATOM 2207 CA GLU B 45 12.460 17.191 -0.593 1.00 0.00 C ATOM 2208 C GLU B 45 11.563 17.947 0.392 1.00 0.00 C ATOM 2209 O GLU B 45 11.538 19.161 0.417 1.00 0.00 O ATOM 2210 CB GLU B 45 12.192 17.688 -2.016 1.00 0.00 C ATOM 2211 CG GLU B 45 12.873 16.755 -3.019 1.00 0.00 C ATOM 2212 CD GLU B 45 13.371 17.568 -4.216 1.00 0.00 C ATOM 2213 OE1 GLU B 45 14.264 18.378 -4.027 1.00 0.00 O ATOM 2214 OE2 GLU B 45 12.849 17.368 -5.300 1.00 0.00 O ATOM 0 H GLU B 45 12.911 15.160 -0.110 1.00 0.00 H new ATOM 0 HA GLU B 45 13.506 17.366 -0.342 1.00 0.00 H new ATOM 0 HB2 GLU B 45 11.119 17.721 -2.205 1.00 0.00 H new ATOM 0 HB3 GLU B 45 12.568 18.704 -2.135 1.00 0.00 H new ATOM 0 HG2 GLU B 45 13.707 16.239 -2.544 1.00 0.00 H new ATOM 0 HG3 GLU B 45 12.173 15.989 -3.352 1.00 0.00 H new ATOM 2221 N GLU B 46 10.828 17.234 1.205 1.00 0.00 N ATOM 2222 CA GLU B 46 9.930 17.897 2.192 1.00 0.00 C ATOM 2223 C GLU B 46 9.501 16.866 3.239 1.00 0.00 C ATOM 2224 O GLU B 46 8.424 16.943 3.797 1.00 0.00 O ATOM 2225 CB GLU B 46 8.691 18.441 1.475 1.00 0.00 C ATOM 2226 CG GLU B 46 9.057 19.714 0.708 1.00 0.00 C ATOM 2227 CD GLU B 46 7.832 20.625 0.612 1.00 0.00 C ATOM 2228 OE1 GLU B 46 7.016 20.586 1.518 1.00 0.00 O ATOM 2229 OE2 GLU B 46 7.731 21.349 -0.365 1.00 0.00 O ATOM 0 H GLU B 46 10.812 16.214 1.226 1.00 0.00 H new ATOM 0 HA GLU B 46 10.456 18.721 2.674 1.00 0.00 H new ATOM 0 HB2 GLU B 46 8.298 17.691 0.788 1.00 0.00 H new ATOM 0 HB3 GLU B 46 7.904 18.654 2.199 1.00 0.00 H new ATOM 0 HG2 GLU B 46 9.871 20.234 1.213 1.00 0.00 H new ATOM 0 HG3 GLU B 46 9.413 19.460 -0.290 1.00 0.00 H new ATOM 2236 N ILE B 47 10.335 15.894 3.497 1.00 0.00 N ATOM 2237 CA ILE B 47 9.982 14.847 4.498 1.00 0.00 C ATOM 2238 C ILE B 47 9.320 15.491 5.718 1.00 0.00 C ATOM 2239 O ILE B 47 9.866 16.383 6.336 1.00 0.00 O ATOM 2240 CB ILE B 47 11.248 14.108 4.934 1.00 0.00 C ATOM 2241 CG1 ILE B 47 11.822 13.338 3.740 1.00 0.00 C ATOM 2242 CG2 ILE B 47 10.905 13.126 6.056 1.00 0.00 C ATOM 2243 CD1 ILE B 47 13.298 13.026 3.994 1.00 0.00 C ATOM 0 H ILE B 47 11.248 15.780 3.056 1.00 0.00 H new ATOM 0 HA ILE B 47 9.285 14.142 4.045 1.00 0.00 H new ATOM 0 HB ILE B 47 11.984 14.827 5.294 1.00 0.00 H new ATOM 0 HG12 ILE B 47 11.265 12.413 3.589 1.00 0.00 H new ATOM 0 HG13 ILE B 47 11.716 13.927 2.829 1.00 0.00 H new ATOM 0 HG21 ILE B 47 11.807 12.599 6.367 1.00 0.00 H new ATOM 0 HG22 ILE B 47 10.493 13.672 6.905 1.00 0.00 H new ATOM 0 HG23 ILE B 47 10.170 12.406 5.697 1.00 0.00 H new ATOM 0 HD11 ILE B 47 13.706 12.478 3.144 1.00 0.00 H new ATOM 0 HD12 ILE B 47 13.850 13.957 4.124 1.00 0.00 H new ATOM 0 HD13 ILE B 47 13.392 12.420 4.895 1.00 0.00 H new ATOM 2255 N LYS B 48 8.147 15.039 6.071 1.00 0.00 N ATOM 2256 CA LYS B 48 7.448 15.616 7.254 1.00 0.00 C ATOM 2257 C LYS B 48 7.262 14.527 8.313 1.00 0.00 C ATOM 2258 O LYS B 48 7.530 14.733 9.479 1.00 0.00 O ATOM 2259 CB LYS B 48 6.083 16.159 6.826 1.00 0.00 C ATOM 2260 CG LYS B 48 5.619 17.219 7.827 1.00 0.00 C ATOM 2261 CD LYS B 48 5.349 18.534 7.092 1.00 0.00 C ATOM 2262 CE LYS B 48 3.869 18.611 6.710 1.00 0.00 C ATOM 2263 NZ LYS B 48 3.652 19.768 5.796 1.00 0.00 N ATOM 0 H LYS B 48 7.642 14.294 5.590 1.00 0.00 H new ATOM 0 HA LYS B 48 8.043 16.429 7.671 1.00 0.00 H new ATOM 0 HB2 LYS B 48 6.148 16.591 5.827 1.00 0.00 H new ATOM 0 HB3 LYS B 48 5.356 15.348 6.776 1.00 0.00 H new ATOM 0 HG2 LYS B 48 4.716 16.883 8.336 1.00 0.00 H new ATOM 0 HG3 LYS B 48 6.380 17.368 8.593 1.00 0.00 H new ATOM 0 HD2 LYS B 48 5.616 19.379 7.727 1.00 0.00 H new ATOM 0 HD3 LYS B 48 5.970 18.598 6.198 1.00 0.00 H new ATOM 0 HE2 LYS B 48 3.559 17.686 6.223 1.00 0.00 H new ATOM 0 HE3 LYS B 48 3.257 18.721 7.605 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 2.703 19.705 5.376 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 3.736 20.655 6.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 4.366 19.752 5.040 1.00 0.00 H new ATOM 2277 N GLU B 49 6.813 13.364 7.917 1.00 0.00 N ATOM 2278 CA GLU B 49 6.623 12.267 8.909 1.00 0.00 C ATOM 2279 C GLU B 49 7.985 11.659 9.246 1.00 0.00 C ATOM 2280 O GLU B 49 8.363 10.628 8.725 1.00 0.00 O ATOM 2281 CB GLU B 49 5.714 11.186 8.320 1.00 0.00 C ATOM 2282 CG GLU B 49 4.260 11.492 8.684 1.00 0.00 C ATOM 2283 CD GLU B 49 4.005 11.086 10.137 1.00 0.00 C ATOM 2284 OE1 GLU B 49 4.770 10.286 10.651 1.00 0.00 O ATOM 2285 OE2 GLU B 49 3.049 11.582 10.712 1.00 0.00 O ATOM 0 H GLU B 49 6.571 13.128 6.955 1.00 0.00 H new ATOM 0 HA GLU B 49 6.162 12.668 9.812 1.00 0.00 H new ATOM 0 HB2 GLU B 49 5.829 11.149 7.237 1.00 0.00 H new ATOM 0 HB3 GLU B 49 5.999 10.207 8.705 1.00 0.00 H new ATOM 0 HG2 GLU B 49 4.056 12.554 8.550 1.00 0.00 H new ATOM 0 HG3 GLU B 49 3.586 10.952 8.020 1.00 0.00 H new ATOM 2292 N GLN B 50 8.727 12.295 10.109 1.00 0.00 N ATOM 2293 CA GLN B 50 10.068 11.763 10.476 1.00 0.00 C ATOM 2294 C GLN B 50 9.917 10.414 11.181 1.00 0.00 C ATOM 2295 O GLN B 50 10.797 9.584 11.133 1.00 0.00 O ATOM 2296 CB GLN B 50 10.761 12.755 11.416 1.00 0.00 C ATOM 2297 CG GLN B 50 12.069 12.152 11.935 1.00 0.00 C ATOM 2298 CD GLN B 50 12.489 12.873 13.218 1.00 0.00 C ATOM 2299 OE1 GLN B 50 11.794 13.752 13.688 1.00 0.00 O ATOM 2300 NE2 GLN B 50 13.603 12.536 13.808 1.00 0.00 N ATOM 0 H GLN B 50 8.462 13.162 10.577 1.00 0.00 H new ATOM 0 HA GLN B 50 10.665 11.629 9.574 1.00 0.00 H new ATOM 0 HB2 GLN B 50 10.964 13.688 10.890 1.00 0.00 H new ATOM 0 HB3 GLN B 50 10.105 12.997 12.252 1.00 0.00 H new ATOM 0 HG2 GLN B 50 11.939 11.087 12.129 1.00 0.00 H new ATOM 0 HG3 GLN B 50 12.850 12.246 11.180 1.00 0.00 H new ATOM 0 HE21 GLN B 50 14.186 11.798 13.413 1.00 0.00 H new ATOM 0 HE22 GLN B 50 13.891 13.010 14.664 1.00 0.00 H new ATOM 2309 N GLU B 51 8.816 10.191 11.842 1.00 0.00 N ATOM 2310 CA GLU B 51 8.632 8.894 12.557 1.00 0.00 C ATOM 2311 C GLU B 51 8.262 7.788 11.565 1.00 0.00 C ATOM 2312 O GLU B 51 8.637 6.644 11.735 1.00 0.00 O ATOM 2313 CB GLU B 51 7.515 9.041 13.593 1.00 0.00 C ATOM 2314 CG GLU B 51 8.105 8.944 15.002 1.00 0.00 C ATOM 2315 CD GLU B 51 7.163 8.132 15.893 1.00 0.00 C ATOM 2316 OE1 GLU B 51 5.968 8.171 15.648 1.00 0.00 O ATOM 2317 OE2 GLU B 51 7.651 7.484 16.803 1.00 0.00 O ATOM 0 H GLU B 51 8.038 10.846 11.919 1.00 0.00 H new ATOM 0 HA GLU B 51 9.565 8.627 13.052 1.00 0.00 H new ATOM 0 HB2 GLU B 51 7.010 9.998 13.465 1.00 0.00 H new ATOM 0 HB3 GLU B 51 6.766 8.263 13.447 1.00 0.00 H new ATOM 0 HG2 GLU B 51 9.086 8.471 14.965 1.00 0.00 H new ATOM 0 HG3 GLU B 51 8.247 9.941 15.418 1.00 0.00 H new ATOM 2324 N VAL B 52 7.524 8.109 10.539 1.00 0.00 N ATOM 2325 CA VAL B 52 7.129 7.062 9.554 1.00 0.00 C ATOM 2326 C VAL B 52 8.339 6.647 8.718 1.00 0.00 C ATOM 2327 O VAL B 52 8.584 5.474 8.505 1.00 0.00 O ATOM 2328 CB VAL B 52 6.041 7.615 8.632 1.00 0.00 C ATOM 2329 CG1 VAL B 52 5.684 6.572 7.574 1.00 0.00 C ATOM 2330 CG2 VAL B 52 4.795 7.946 9.455 1.00 0.00 C ATOM 0 H VAL B 52 7.178 9.048 10.340 1.00 0.00 H new ATOM 0 HA VAL B 52 6.750 6.192 10.091 1.00 0.00 H new ATOM 0 HB VAL B 52 6.408 8.517 8.143 1.00 0.00 H new ATOM 0 HG11 VAL B 52 4.909 6.969 6.919 1.00 0.00 H new ATOM 0 HG12 VAL B 52 6.570 6.333 6.985 1.00 0.00 H new ATOM 0 HG13 VAL B 52 5.319 5.669 8.062 1.00 0.00 H new ATOM 0 HG21 VAL B 52 4.019 8.340 8.798 1.00 0.00 H new ATOM 0 HG22 VAL B 52 4.432 7.042 9.944 1.00 0.00 H new ATOM 0 HG23 VAL B 52 5.045 8.692 10.210 1.00 0.00 H new ATOM 2340 N VAL B 53 9.096 7.590 8.235 1.00 0.00 N ATOM 2341 CA VAL B 53 10.281 7.232 7.408 1.00 0.00 C ATOM 2342 C VAL B 53 11.417 6.766 8.314 1.00 0.00 C ATOM 2343 O VAL B 53 12.228 5.947 7.931 1.00 0.00 O ATOM 2344 CB VAL B 53 10.736 8.450 6.604 1.00 0.00 C ATOM 2345 CG1 VAL B 53 12.011 8.104 5.832 1.00 0.00 C ATOM 2346 CG2 VAL B 53 9.637 8.853 5.619 1.00 0.00 C ATOM 0 H VAL B 53 8.947 8.589 8.376 1.00 0.00 H new ATOM 0 HA VAL B 53 10.011 6.428 6.723 1.00 0.00 H new ATOM 0 HB VAL B 53 10.935 9.279 7.283 1.00 0.00 H new ATOM 0 HG11 VAL B 53 12.336 8.972 5.258 1.00 0.00 H new ATOM 0 HG12 VAL B 53 12.795 7.818 6.533 1.00 0.00 H new ATOM 0 HG13 VAL B 53 11.812 7.275 5.153 1.00 0.00 H new ATOM 0 HG21 VAL B 53 9.962 9.721 5.046 1.00 0.00 H new ATOM 0 HG22 VAL B 53 9.436 8.025 4.940 1.00 0.00 H new ATOM 0 HG23 VAL B 53 8.729 9.100 6.168 1.00 0.00 H new ATOM 2356 N ASP B 54 11.484 7.271 9.513 1.00 0.00 N ATOM 2357 CA ASP B 54 12.572 6.833 10.425 1.00 0.00 C ATOM 2358 C ASP B 54 12.184 5.500 11.056 1.00 0.00 C ATOM 2359 O ASP B 54 13.017 4.790 11.568 1.00 0.00 O ATOM 2360 CB ASP B 54 12.790 7.875 11.525 1.00 0.00 C ATOM 2361 CG ASP B 54 13.309 9.173 10.902 1.00 0.00 C ATOM 2362 OD1 ASP B 54 12.903 9.478 9.793 1.00 0.00 O ATOM 2363 OD2 ASP B 54 14.103 9.838 11.546 1.00 0.00 O ATOM 0 H ASP B 54 10.839 7.961 9.897 1.00 0.00 H new ATOM 0 HA ASP B 54 13.496 6.722 9.858 1.00 0.00 H new ATOM 0 HB2 ASP B 54 11.856 8.061 12.055 1.00 0.00 H new ATOM 0 HB3 ASP B 54 13.503 7.501 12.259 1.00 0.00 H new ATOM 2368 N LYS B 55 10.926 5.149 11.025 1.00 0.00 N ATOM 2369 CA LYS B 55 10.516 3.854 11.629 1.00 0.00 C ATOM 2370 C LYS B 55 10.831 2.720 10.656 1.00 0.00 C ATOM 2371 O LYS B 55 11.364 1.696 11.037 1.00 0.00 O ATOM 2372 CB LYS B 55 9.017 3.881 11.932 1.00 0.00 C ATOM 2373 CG LYS B 55 8.547 2.480 12.325 1.00 0.00 C ATOM 2374 CD LYS B 55 7.428 2.039 11.383 1.00 0.00 C ATOM 2375 CE LYS B 55 6.638 0.895 12.023 1.00 0.00 C ATOM 2376 NZ LYS B 55 5.940 0.118 10.961 1.00 0.00 N ATOM 0 H LYS B 55 10.173 5.699 10.611 1.00 0.00 H new ATOM 0 HA LYS B 55 11.063 3.693 12.558 1.00 0.00 H new ATOM 0 HB2 LYS B 55 8.812 4.584 12.739 1.00 0.00 H new ATOM 0 HB3 LYS B 55 8.465 4.229 11.058 1.00 0.00 H new ATOM 0 HG2 LYS B 55 9.379 1.777 12.274 1.00 0.00 H new ATOM 0 HG3 LYS B 55 8.192 2.479 13.355 1.00 0.00 H new ATOM 0 HD2 LYS B 55 6.765 2.878 11.172 1.00 0.00 H new ATOM 0 HD3 LYS B 55 7.847 1.716 10.430 1.00 0.00 H new ATOM 0 HE2 LYS B 55 7.309 0.244 12.583 1.00 0.00 H new ATOM 0 HE3 LYS B 55 5.913 1.292 12.734 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 4.913 0.161 11.118 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 6.165 0.523 10.030 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 6.254 -0.873 10.993 1.00 0.00 H new ATOM 2390 N VAL B 56 10.521 2.889 9.398 1.00 0.00 N ATOM 2391 CA VAL B 56 10.825 1.813 8.419 1.00 0.00 C ATOM 2392 C VAL B 56 12.300 1.901 8.038 1.00 0.00 C ATOM 2393 O VAL B 56 12.953 0.910 7.782 1.00 0.00 O ATOM 2394 CB VAL B 56 9.964 2.000 7.169 1.00 0.00 C ATOM 2395 CG1 VAL B 56 8.542 1.506 7.439 1.00 0.00 C ATOM 2396 CG2 VAL B 56 9.918 3.480 6.784 1.00 0.00 C ATOM 0 H VAL B 56 10.074 3.720 9.011 1.00 0.00 H new ATOM 0 HA VAL B 56 10.611 0.839 8.859 1.00 0.00 H new ATOM 0 HB VAL B 56 10.401 1.425 6.352 1.00 0.00 H new ATOM 0 HG11 VAL B 56 7.934 1.642 6.545 1.00 0.00 H new ATOM 0 HG12 VAL B 56 8.568 0.449 7.703 1.00 0.00 H new ATOM 0 HG13 VAL B 56 8.109 2.075 8.262 1.00 0.00 H new ATOM 0 HG21 VAL B 56 9.303 3.605 5.893 1.00 0.00 H new ATOM 0 HG22 VAL B 56 9.490 4.056 7.604 1.00 0.00 H new ATOM 0 HG23 VAL B 56 10.928 3.835 6.580 1.00 0.00 H new ATOM 2406 N MET B 57 12.820 3.091 8.006 1.00 0.00 N ATOM 2407 CA MET B 57 14.251 3.281 7.650 1.00 0.00 C ATOM 2408 C MET B 57 15.129 2.866 8.828 1.00 0.00 C ATOM 2409 O MET B 57 16.288 2.559 8.662 1.00 0.00 O ATOM 2410 CB MET B 57 14.490 4.755 7.343 1.00 0.00 C ATOM 2411 CG MET B 57 15.852 4.926 6.668 1.00 0.00 C ATOM 2412 SD MET B 57 15.627 5.660 5.028 1.00 0.00 S ATOM 2413 CE MET B 57 14.510 4.402 4.361 1.00 0.00 C ATOM 0 H MET B 57 12.311 3.950 8.213 1.00 0.00 H new ATOM 0 HA MET B 57 14.499 2.672 6.781 1.00 0.00 H new ATOM 0 HB2 MET B 57 13.701 5.134 6.693 1.00 0.00 H new ATOM 0 HB3 MET B 57 14.453 5.339 8.263 1.00 0.00 H new ATOM 0 HG2 MET B 57 16.494 5.562 7.277 1.00 0.00 H new ATOM 0 HG3 MET B 57 16.350 3.960 6.580 1.00 0.00 H new ATOM 0 HE1 MET B 57 14.504 4.461 3.273 1.00 0.00 H new ATOM 0 HE2 MET B 57 14.850 3.413 4.669 1.00 0.00 H new ATOM 0 HE3 MET B 57 13.502 4.573 4.739 1.00 0.00 H new ATOM 2423 N GLU B 58 14.597 2.858 10.019 1.00 0.00 N ATOM 2424 CA GLU B 58 15.438 2.454 11.186 1.00 0.00 C ATOM 2425 C GLU B 58 15.523 0.931 11.244 1.00 0.00 C ATOM 2426 O GLU B 58 16.585 0.375 11.421 1.00 0.00 O ATOM 2427 CB GLU B 58 14.840 2.978 12.494 1.00 0.00 C ATOM 2428 CG GLU B 58 15.468 4.333 12.839 1.00 0.00 C ATOM 2429 CD GLU B 58 15.512 4.502 14.360 1.00 0.00 C ATOM 2430 OE1 GLU B 58 16.443 3.996 14.965 1.00 0.00 O ATOM 2431 OE2 GLU B 58 14.616 5.134 14.892 1.00 0.00 O ATOM 0 H GLU B 58 13.632 3.109 10.235 1.00 0.00 H new ATOM 0 HA GLU B 58 16.433 2.881 11.062 1.00 0.00 H new ATOM 0 HB2 GLU B 58 13.759 3.081 12.396 1.00 0.00 H new ATOM 0 HB3 GLU B 58 15.021 2.266 13.299 1.00 0.00 H new ATOM 0 HG2 GLU B 58 16.475 4.395 12.426 1.00 0.00 H new ATOM 0 HG3 GLU B 58 14.889 5.139 12.389 1.00 0.00 H new ATOM 2438 N THR B 59 14.424 0.243 11.085 1.00 0.00 N ATOM 2439 CA THR B 59 14.490 -1.245 11.119 1.00 0.00 C ATOM 2440 C THR B 59 15.250 -1.704 9.879 1.00 0.00 C ATOM 2441 O THR B 59 15.886 -2.740 9.860 1.00 0.00 O ATOM 2442 CB THR B 59 13.073 -1.827 11.103 1.00 0.00 C ATOM 2443 OG1 THR B 59 12.373 -1.398 12.264 1.00 0.00 O ATOM 2444 CG2 THR B 59 13.148 -3.355 11.084 1.00 0.00 C ATOM 0 H THR B 59 13.497 0.640 10.935 1.00 0.00 H new ATOM 0 HA THR B 59 14.994 -1.585 12.024 1.00 0.00 H new ATOM 0 HB THR B 59 12.547 -1.481 10.213 1.00 0.00 H new ATOM 0 HG1 THR B 59 11.466 -1.768 12.254 1.00 0.00 H new ATOM 0 HG21 THR B 59 12.140 -3.769 11.073 1.00 0.00 H new ATOM 0 HG22 THR B 59 13.684 -3.682 10.193 1.00 0.00 H new ATOM 0 HG23 THR B 59 13.674 -3.705 11.973 1.00 0.00 H new ATOM 2452 N LEU B 60 15.188 -0.912 8.848 1.00 0.00 N ATOM 2453 CA LEU B 60 15.894 -1.242 7.583 1.00 0.00 C ATOM 2454 C LEU B 60 17.406 -1.096 7.789 1.00 0.00 C ATOM 2455 O LEU B 60 18.160 -2.045 7.664 1.00 0.00 O ATOM 2456 CB LEU B 60 15.427 -0.257 6.504 1.00 0.00 C ATOM 2457 CG LEU B 60 14.202 -0.822 5.782 1.00 0.00 C ATOM 2458 CD1 LEU B 60 13.659 0.222 4.805 1.00 0.00 C ATOM 2459 CD2 LEU B 60 14.599 -2.080 5.009 1.00 0.00 C ATOM 0 H LEU B 60 14.668 -0.034 8.829 1.00 0.00 H new ATOM 0 HA LEU B 60 15.673 -2.266 7.282 1.00 0.00 H new ATOM 0 HB2 LEU B 60 15.183 0.704 6.957 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.231 -0.078 5.790 1.00 0.00 H new ATOM 0 HG LEU B 60 13.434 -1.071 6.514 1.00 0.00 H new ATOM 0 HD11 LEU B 60 12.786 -0.180 4.291 1.00 0.00 H new ATOM 0 HD12 LEU B 60 13.375 1.120 5.353 1.00 0.00 H new ATOM 0 HD13 LEU B 60 14.428 0.471 4.074 1.00 0.00 H new ATOM 0 HD21 LEU B 60 13.726 -2.482 4.495 1.00 0.00 H new ATOM 0 HD22 LEU B 60 15.368 -1.830 4.278 1.00 0.00 H new ATOM 0 HD23 LEU B 60 14.987 -2.826 5.703 1.00 0.00 H new ATOM 2471 N ASP B 61 17.843 0.097 8.101 1.00 0.00 N ATOM 2472 CA ASP B 61 19.298 0.350 8.310 1.00 0.00 C ATOM 2473 C ASP B 61 19.745 -0.215 9.658 1.00 0.00 C ATOM 2474 O ASP B 61 20.920 -0.240 9.968 1.00 0.00 O ATOM 2475 CB ASP B 61 19.546 1.860 8.294 1.00 0.00 C ATOM 2476 CG ASP B 61 20.825 2.160 7.509 1.00 0.00 C ATOM 2477 OD1 ASP B 61 21.879 1.726 7.943 1.00 0.00 O ATOM 2478 OD2 ASP B 61 20.728 2.820 6.487 1.00 0.00 O ATOM 0 H ASP B 61 17.246 0.915 8.221 1.00 0.00 H new ATOM 0 HA ASP B 61 19.864 -0.136 7.515 1.00 0.00 H new ATOM 0 HB2 ASP B 61 18.699 2.373 7.839 1.00 0.00 H new ATOM 0 HB3 ASP B 61 19.636 2.235 9.313 1.00 0.00 H new ATOM 2483 N GLU B 62 18.829 -0.672 10.463 1.00 0.00 N ATOM 2484 CA GLU B 62 19.227 -1.231 11.783 1.00 0.00 C ATOM 2485 C GLU B 62 19.889 -2.585 11.560 1.00 0.00 C ATOM 2486 O GLU B 62 21.029 -2.799 11.922 1.00 0.00 O ATOM 2487 CB GLU B 62 17.992 -1.398 12.675 1.00 0.00 C ATOM 2488 CG GLU B 62 18.348 -2.268 13.884 1.00 0.00 C ATOM 2489 CD GLU B 62 18.083 -1.486 15.172 1.00 0.00 C ATOM 2490 OE1 GLU B 62 18.796 -0.527 15.418 1.00 0.00 O ATOM 2491 OE2 GLU B 62 17.171 -1.859 15.892 1.00 0.00 O ATOM 0 H GLU B 62 17.828 -0.683 10.266 1.00 0.00 H new ATOM 0 HA GLU B 62 19.924 -0.553 12.276 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.636 -0.423 13.008 1.00 0.00 H new ATOM 0 HB3 GLU B 62 17.181 -1.857 12.109 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.756 -3.183 13.874 1.00 0.00 H new ATOM 0 HG3 GLU B 62 19.396 -2.565 13.836 1.00 0.00 H new ATOM 2498 N ASP B 63 19.182 -3.497 10.959 1.00 0.00 N ATOM 2499 CA ASP B 63 19.767 -4.842 10.701 1.00 0.00 C ATOM 2500 C ASP B 63 18.704 -5.751 10.088 1.00 0.00 C ATOM 2501 O ASP B 63 18.309 -6.736 10.678 1.00 0.00 O ATOM 2502 CB ASP B 63 20.253 -5.454 12.017 1.00 0.00 C ATOM 2503 CG ASP B 63 20.868 -6.828 11.742 1.00 0.00 C ATOM 2504 OD1 ASP B 63 22.009 -6.869 11.313 1.00 0.00 O ATOM 2505 OD2 ASP B 63 20.188 -7.816 11.965 1.00 0.00 O ATOM 0 H ASP B 63 18.223 -3.371 10.634 1.00 0.00 H new ATOM 0 HA ASP B 63 20.607 -4.742 10.013 1.00 0.00 H new ATOM 0 HB2 ASP B 63 20.990 -4.801 12.485 1.00 0.00 H new ATOM 0 HB3 ASP B 63 19.422 -5.549 12.716 1.00 0.00 H new ATOM 2510 N GLY B 64 18.242 -5.443 8.906 1.00 0.00 N ATOM 2511 CA GLY B 64 17.215 -6.318 8.276 1.00 0.00 C ATOM 2512 C GLY B 64 17.920 -7.379 7.429 1.00 0.00 C ATOM 2513 O GLY B 64 17.338 -7.972 6.543 1.00 0.00 O ATOM 0 H GLY B 64 18.528 -4.633 8.356 1.00 0.00 H new ATOM 0 HA2 GLY B 64 16.603 -6.793 9.043 1.00 0.00 H new ATOM 0 HA3 GLY B 64 16.544 -5.725 7.655 1.00 0.00 H new ATOM 2517 N ASP B 65 19.180 -7.608 7.705 1.00 0.00 N ATOM 2518 CA ASP B 65 19.980 -8.618 6.944 1.00 0.00 C ATOM 2519 C ASP B 65 19.118 -9.819 6.539 1.00 0.00 C ATOM 2520 O ASP B 65 19.412 -10.499 5.576 1.00 0.00 O ATOM 2521 CB ASP B 65 21.139 -9.101 7.819 1.00 0.00 C ATOM 2522 CG ASP B 65 21.903 -10.208 7.091 1.00 0.00 C ATOM 2523 OD1 ASP B 65 21.534 -11.360 7.250 1.00 0.00 O ATOM 2524 OD2 ASP B 65 22.845 -9.884 6.386 1.00 0.00 O ATOM 0 H ASP B 65 19.698 -7.128 8.441 1.00 0.00 H new ATOM 0 HA ASP B 65 20.358 -8.146 6.037 1.00 0.00 H new ATOM 0 HB2 ASP B 65 21.808 -8.271 8.045 1.00 0.00 H new ATOM 0 HB3 ASP B 65 20.759 -9.472 8.771 1.00 0.00 H new ATOM 2529 N GLY B 66 18.058 -10.095 7.252 1.00 0.00 N ATOM 2530 CA GLY B 66 17.210 -11.252 6.874 1.00 0.00 C ATOM 2531 C GLY B 66 16.181 -10.809 5.830 1.00 0.00 C ATOM 2532 O GLY B 66 16.048 -9.637 5.520 1.00 0.00 O ATOM 0 H GLY B 66 17.749 -9.572 8.071 1.00 0.00 H new ATOM 0 HA2 GLY B 66 17.829 -12.055 6.473 1.00 0.00 H new ATOM 0 HA3 GLY B 66 16.704 -11.649 7.754 1.00 0.00 H new ATOM 2536 N GLU B 67 15.477 -11.748 5.266 1.00 0.00 N ATOM 2537 CA GLU B 67 14.473 -11.417 4.216 1.00 0.00 C ATOM 2538 C GLU B 67 13.212 -10.818 4.842 1.00 0.00 C ATOM 2539 O GLU B 67 12.917 -11.016 6.004 1.00 0.00 O ATOM 2540 CB GLU B 67 14.103 -12.688 3.451 1.00 0.00 C ATOM 2541 CG GLU B 67 15.381 -13.431 3.057 1.00 0.00 C ATOM 2542 CD GLU B 67 15.084 -14.927 2.938 1.00 0.00 C ATOM 2543 OE1 GLU B 67 13.917 -15.280 2.906 1.00 0.00 O ATOM 2544 OE2 GLU B 67 16.031 -15.696 2.883 1.00 0.00 O ATOM 0 H GLU B 67 15.554 -12.740 5.489 1.00 0.00 H new ATOM 0 HA GLU B 67 14.908 -10.684 3.536 1.00 0.00 H new ATOM 0 HB2 GLU B 67 13.473 -13.328 4.069 1.00 0.00 H new ATOM 0 HB3 GLU B 67 13.526 -12.436 2.561 1.00 0.00 H new ATOM 0 HG2 GLU B 67 15.760 -13.048 2.109 1.00 0.00 H new ATOM 0 HG3 GLU B 67 16.158 -13.262 3.803 1.00 0.00 H new ATOM 2551 N CYS B 68 12.466 -10.089 4.058 1.00 0.00 N ATOM 2552 CA CYS B 68 11.212 -9.465 4.559 1.00 0.00 C ATOM 2553 C CYS B 68 10.021 -10.150 3.887 1.00 0.00 C ATOM 2554 O CYS B 68 10.182 -10.903 2.944 1.00 0.00 O ATOM 2555 CB CYS B 68 11.226 -7.977 4.199 1.00 0.00 C ATOM 2556 SG CYS B 68 12.317 -7.091 5.342 1.00 0.00 S ATOM 0 H CYS B 68 12.677 -9.898 3.078 1.00 0.00 H new ATOM 0 HA CYS B 68 11.133 -9.577 5.640 1.00 0.00 H new ATOM 0 HB2 CYS B 68 11.570 -7.843 3.173 1.00 0.00 H new ATOM 0 HB3 CYS B 68 10.217 -7.569 4.253 1.00 0.00 H new ATOM 0 HG CYS B 68 11.636 -6.182 5.974 1.00 0.00 H new ATOM 2562 N ASP B 69 8.826 -9.909 4.354 1.00 0.00 N ATOM 2563 CA ASP B 69 7.649 -10.567 3.722 1.00 0.00 C ATOM 2564 C ASP B 69 6.971 -9.584 2.768 1.00 0.00 C ATOM 2565 O ASP B 69 7.354 -8.436 2.667 1.00 0.00 O ATOM 2566 CB ASP B 69 6.660 -10.998 4.805 1.00 0.00 C ATOM 2567 CG ASP B 69 7.256 -12.154 5.611 1.00 0.00 C ATOM 2568 OD1 ASP B 69 8.357 -12.569 5.289 1.00 0.00 O ATOM 2569 OD2 ASP B 69 6.602 -12.604 6.537 1.00 0.00 O ATOM 0 H ASP B 69 8.616 -9.291 5.138 1.00 0.00 H new ATOM 0 HA ASP B 69 7.977 -11.445 3.166 1.00 0.00 H new ATOM 0 HB2 ASP B 69 6.437 -10.159 5.464 1.00 0.00 H new ATOM 0 HB3 ASP B 69 5.718 -11.305 4.351 1.00 0.00 H new ATOM 2574 N PHE B 70 5.967 -10.027 2.066 1.00 0.00 N ATOM 2575 CA PHE B 70 5.268 -9.117 1.119 1.00 0.00 C ATOM 2576 C PHE B 70 4.377 -8.150 1.900 1.00 0.00 C ATOM 2577 O PHE B 70 4.114 -7.048 1.463 1.00 0.00 O ATOM 2578 CB PHE B 70 4.406 -9.942 0.162 1.00 0.00 C ATOM 2579 CG PHE B 70 3.592 -9.015 -0.709 1.00 0.00 C ATOM 2580 CD1 PHE B 70 4.174 -7.851 -1.225 1.00 0.00 C ATOM 2581 CD2 PHE B 70 2.257 -9.320 -0.999 1.00 0.00 C ATOM 2582 CE1 PHE B 70 3.420 -6.991 -2.032 1.00 0.00 C ATOM 2583 CE2 PHE B 70 1.503 -8.460 -1.807 1.00 0.00 C ATOM 2584 CZ PHE B 70 2.085 -7.295 -2.323 1.00 0.00 C ATOM 0 H PHE B 70 5.601 -10.978 2.107 1.00 0.00 H new ATOM 0 HA PHE B 70 6.006 -8.551 0.550 1.00 0.00 H new ATOM 0 HB2 PHE B 70 5.038 -10.578 -0.457 1.00 0.00 H new ATOM 0 HB3 PHE B 70 3.746 -10.601 0.726 1.00 0.00 H new ATOM 0 HD1 PHE B 70 5.204 -7.617 -1.001 1.00 0.00 H new ATOM 0 HD2 PHE B 70 1.809 -10.218 -0.600 1.00 0.00 H new ATOM 0 HE1 PHE B 70 3.868 -6.093 -2.430 1.00 0.00 H new ATOM 0 HE2 PHE B 70 0.473 -8.695 -2.032 1.00 0.00 H new ATOM 0 HZ PHE B 70 1.504 -6.631 -2.946 1.00 0.00 H new ATOM 2594 N GLN B 71 3.903 -8.554 3.048 1.00 0.00 N ATOM 2595 CA GLN B 71 3.021 -7.660 3.850 1.00 0.00 C ATOM 2596 C GLN B 71 3.855 -6.592 4.558 1.00 0.00 C ATOM 2597 O GLN B 71 3.396 -5.491 4.784 1.00 0.00 O ATOM 2598 CB GLN B 71 2.273 -8.489 4.894 1.00 0.00 C ATOM 2599 CG GLN B 71 0.897 -8.864 4.348 1.00 0.00 C ATOM 2600 CD GLN B 71 -0.189 -8.203 5.199 1.00 0.00 C ATOM 2601 OE1 GLN B 71 -1.151 -8.841 5.578 1.00 0.00 O ATOM 2602 NE2 GLN B 71 -0.076 -6.943 5.517 1.00 0.00 N ATOM 0 H GLN B 71 4.089 -9.466 3.465 1.00 0.00 H new ATOM 0 HA GLN B 71 2.310 -7.173 3.183 1.00 0.00 H new ATOM 0 HB2 GLN B 71 2.839 -9.389 5.135 1.00 0.00 H new ATOM 0 HB3 GLN B 71 2.168 -7.922 5.819 1.00 0.00 H new ATOM 0 HG2 GLN B 71 0.806 -8.543 3.310 1.00 0.00 H new ATOM 0 HG3 GLN B 71 0.773 -9.947 4.358 1.00 0.00 H new ATOM 0 HE21 GLN B 71 0.732 -6.407 5.199 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -0.795 -6.494 6.084 1.00 0.00 H new ATOM 2611 N GLU B 72 5.072 -6.897 4.914 1.00 0.00 N ATOM 2612 CA GLU B 72 5.901 -5.882 5.602 1.00 0.00 C ATOM 2613 C GLU B 72 6.406 -4.882 4.560 1.00 0.00 C ATOM 2614 O GLU B 72 6.357 -3.684 4.760 1.00 0.00 O ATOM 2615 CB GLU B 72 7.055 -6.595 6.330 1.00 0.00 C ATOM 2616 CG GLU B 72 8.310 -6.691 5.457 1.00 0.00 C ATOM 2617 CD GLU B 72 9.526 -6.896 6.363 1.00 0.00 C ATOM 2618 OE1 GLU B 72 9.761 -8.025 6.759 1.00 0.00 O ATOM 2619 OE2 GLU B 72 10.198 -5.919 6.648 1.00 0.00 O ATOM 0 H GLU B 72 5.521 -7.799 4.758 1.00 0.00 H new ATOM 0 HA GLU B 72 5.325 -5.333 6.348 1.00 0.00 H new ATOM 0 HB2 GLU B 72 7.292 -6.057 7.248 1.00 0.00 H new ATOM 0 HB3 GLU B 72 6.737 -7.597 6.620 1.00 0.00 H new ATOM 0 HG2 GLU B 72 8.219 -7.519 4.755 1.00 0.00 H new ATOM 0 HG3 GLU B 72 8.429 -5.783 4.866 1.00 0.00 H new ATOM 2626 N PHE B 73 6.868 -5.368 3.441 1.00 0.00 N ATOM 2627 CA PHE B 73 7.355 -4.454 2.369 1.00 0.00 C ATOM 2628 C PHE B 73 6.145 -3.711 1.792 1.00 0.00 C ATOM 2629 O PHE B 73 6.270 -2.659 1.196 1.00 0.00 O ATOM 2630 CB PHE B 73 8.051 -5.292 1.278 1.00 0.00 C ATOM 2631 CG PHE B 73 7.844 -4.680 -0.091 1.00 0.00 C ATOM 2632 CD1 PHE B 73 6.641 -4.890 -0.777 1.00 0.00 C ATOM 2633 CD2 PHE B 73 8.855 -3.906 -0.672 1.00 0.00 C ATOM 2634 CE1 PHE B 73 6.451 -4.327 -2.045 1.00 0.00 C ATOM 2635 CE2 PHE B 73 8.663 -3.342 -1.939 1.00 0.00 C ATOM 2636 CZ PHE B 73 7.461 -3.552 -2.626 1.00 0.00 C ATOM 0 H PHE B 73 6.929 -6.362 3.222 1.00 0.00 H new ATOM 0 HA PHE B 73 8.070 -3.731 2.762 1.00 0.00 H new ATOM 0 HB2 PHE B 73 9.118 -5.360 1.492 1.00 0.00 H new ATOM 0 HB3 PHE B 73 7.658 -6.309 1.289 1.00 0.00 H new ATOM 0 HD1 PHE B 73 5.860 -5.486 -0.328 1.00 0.00 H new ATOM 0 HD2 PHE B 73 9.783 -3.744 -0.143 1.00 0.00 H new ATOM 0 HE1 PHE B 73 5.524 -4.491 -2.575 1.00 0.00 H new ATOM 0 HE2 PHE B 73 9.443 -2.744 -2.387 1.00 0.00 H new ATOM 0 HZ PHE B 73 7.314 -3.116 -3.603 1.00 0.00 H new ATOM 2646 N MET B 74 4.977 -4.261 1.970 1.00 0.00 N ATOM 2647 CA MET B 74 3.750 -3.607 1.441 1.00 0.00 C ATOM 2648 C MET B 74 3.380 -2.426 2.335 1.00 0.00 C ATOM 2649 O MET B 74 3.221 -1.312 1.877 1.00 0.00 O ATOM 2650 CB MET B 74 2.605 -4.625 1.433 1.00 0.00 C ATOM 2651 CG MET B 74 2.332 -5.083 0.000 1.00 0.00 C ATOM 2652 SD MET B 74 1.040 -4.046 -0.724 1.00 0.00 S ATOM 2653 CE MET B 74 2.112 -3.120 -1.847 1.00 0.00 C ATOM 0 H MET B 74 4.819 -5.140 2.462 1.00 0.00 H new ATOM 0 HA MET B 74 3.929 -3.249 0.427 1.00 0.00 H new ATOM 0 HB2 MET B 74 2.863 -5.482 2.056 1.00 0.00 H new ATOM 0 HB3 MET B 74 1.707 -4.179 1.860 1.00 0.00 H new ATOM 0 HG2 MET B 74 3.243 -5.017 -0.595 1.00 0.00 H new ATOM 0 HG3 MET B 74 2.022 -6.128 -0.007 1.00 0.00 H new ATOM 0 HE1 MET B 74 1.503 -2.604 -2.589 1.00 0.00 H new ATOM 0 HE2 MET B 74 2.689 -2.390 -1.280 1.00 0.00 H new ATOM 0 HE3 MET B 74 2.792 -3.807 -2.351 1.00 0.00 H new ATOM 2663 N ALA B 75 3.250 -2.658 3.610 1.00 0.00 N ATOM 2664 CA ALA B 75 2.897 -1.548 4.534 1.00 0.00 C ATOM 2665 C ALA B 75 4.103 -0.617 4.677 1.00 0.00 C ATOM 2666 O ALA B 75 3.977 0.517 5.088 1.00 0.00 O ATOM 2667 CB ALA B 75 2.526 -2.126 5.902 1.00 0.00 C ATOM 0 H ALA B 75 3.373 -3.569 4.052 1.00 0.00 H new ATOM 0 HA ALA B 75 2.049 -0.989 4.138 1.00 0.00 H new ATOM 0 HB1 ALA B 75 2.267 -1.314 6.582 1.00 0.00 H new ATOM 0 HB2 ALA B 75 1.673 -2.796 5.795 1.00 0.00 H new ATOM 0 HB3 ALA B 75 3.374 -2.680 6.305 1.00 0.00 H new ATOM 2673 N PHE B 76 5.271 -1.093 4.339 1.00 0.00 N ATOM 2674 CA PHE B 76 6.489 -0.243 4.456 1.00 0.00 C ATOM 2675 C PHE B 76 6.589 0.699 3.252 1.00 0.00 C ATOM 2676 O PHE B 76 7.070 1.810 3.364 1.00 0.00 O ATOM 2677 CB PHE B 76 7.730 -1.137 4.501 1.00 0.00 C ATOM 2678 CG PHE B 76 8.148 -1.348 5.937 1.00 0.00 C ATOM 2679 CD1 PHE B 76 7.261 -1.938 6.845 1.00 0.00 C ATOM 2680 CD2 PHE B 76 9.424 -0.956 6.360 1.00 0.00 C ATOM 2681 CE1 PHE B 76 7.649 -2.135 8.176 1.00 0.00 C ATOM 2682 CE2 PHE B 76 9.812 -1.153 7.690 1.00 0.00 C ATOM 2683 CZ PHE B 76 8.924 -1.743 8.598 1.00 0.00 C ATOM 0 H PHE B 76 5.434 -2.036 3.986 1.00 0.00 H new ATOM 0 HA PHE B 76 6.425 0.348 5.370 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.518 -2.096 4.028 1.00 0.00 H new ATOM 0 HB3 PHE B 76 8.543 -0.678 3.938 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.277 -2.241 6.519 1.00 0.00 H new ATOM 0 HD2 PHE B 76 10.109 -0.501 5.660 1.00 0.00 H new ATOM 0 HE1 PHE B 76 6.964 -2.589 8.877 1.00 0.00 H new ATOM 0 HE2 PHE B 76 10.796 -0.850 8.016 1.00 0.00 H new ATOM 0 HZ PHE B 76 9.224 -1.895 9.624 1.00 0.00 H new ATOM 2693 N VAL B 77 6.149 0.268 2.102 1.00 0.00 N ATOM 2694 CA VAL B 77 6.234 1.147 0.899 1.00 0.00 C ATOM 2695 C VAL B 77 5.136 2.211 0.957 1.00 0.00 C ATOM 2696 O VAL B 77 5.287 3.297 0.436 1.00 0.00 O ATOM 2697 CB VAL B 77 6.061 0.300 -0.364 1.00 0.00 C ATOM 2698 CG1 VAL B 77 5.956 1.215 -1.585 1.00 0.00 C ATOM 2699 CG2 VAL B 77 7.269 -0.626 -0.524 1.00 0.00 C ATOM 0 H VAL B 77 5.736 -0.651 1.942 1.00 0.00 H new ATOM 0 HA VAL B 77 7.207 1.637 0.878 1.00 0.00 H new ATOM 0 HB VAL B 77 5.152 -0.296 -0.279 1.00 0.00 H new ATOM 0 HG11 VAL B 77 5.833 0.610 -2.483 1.00 0.00 H new ATOM 0 HG12 VAL B 77 5.096 1.876 -1.472 1.00 0.00 H new ATOM 0 HG13 VAL B 77 6.864 1.812 -1.671 1.00 0.00 H new ATOM 0 HG21 VAL B 77 7.148 -1.230 -1.423 1.00 0.00 H new ATOM 0 HG22 VAL B 77 8.177 -0.029 -0.608 1.00 0.00 H new ATOM 0 HG23 VAL B 77 7.344 -1.280 0.345 1.00 0.00 H new ATOM 2709 N SER B 78 4.032 1.909 1.580 1.00 0.00 N ATOM 2710 CA SER B 78 2.928 2.907 1.658 1.00 0.00 C ATOM 2711 C SER B 78 3.232 3.944 2.743 1.00 0.00 C ATOM 2712 O SER B 78 2.888 5.103 2.618 1.00 0.00 O ATOM 2713 CB SER B 78 1.620 2.190 1.993 1.00 0.00 C ATOM 2714 OG SER B 78 1.214 1.409 0.876 1.00 0.00 O ATOM 0 H SER B 78 3.846 1.017 2.038 1.00 0.00 H new ATOM 0 HA SER B 78 2.836 3.414 0.697 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.754 1.553 2.867 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.847 2.917 2.244 1.00 0.00 H new ATOM 0 HG SER B 78 0.544 1.902 0.358 1.00 0.00 H new ATOM 2720 N MET B 79 3.867 3.542 3.810 1.00 0.00 N ATOM 2721 CA MET B 79 4.182 4.506 4.896 1.00 0.00 C ATOM 2722 C MET B 79 5.148 5.577 4.382 1.00 0.00 C ATOM 2723 O MET B 79 4.971 6.754 4.631 1.00 0.00 O ATOM 2724 CB MET B 79 4.830 3.751 6.055 1.00 0.00 C ATOM 2725 CG MET B 79 3.879 2.661 6.550 1.00 0.00 C ATOM 2726 SD MET B 79 3.140 3.170 8.123 1.00 0.00 S ATOM 2727 CE MET B 79 4.180 2.151 9.197 1.00 0.00 C ATOM 0 H MET B 79 4.181 2.585 3.974 1.00 0.00 H new ATOM 0 HA MET B 79 3.264 4.989 5.231 1.00 0.00 H new ATOM 0 HB2 MET B 79 5.772 3.307 5.732 1.00 0.00 H new ATOM 0 HB3 MET B 79 5.064 4.440 6.866 1.00 0.00 H new ATOM 0 HG2 MET B 79 3.098 2.482 5.811 1.00 0.00 H new ATOM 0 HG3 MET B 79 4.419 1.723 6.677 1.00 0.00 H new ATOM 0 HE1 MET B 79 3.894 2.309 10.237 1.00 0.00 H new ATOM 0 HE2 MET B 79 4.049 1.100 8.940 1.00 0.00 H new ATOM 0 HE3 MET B 79 5.225 2.430 9.062 1.00 0.00 H new ATOM 2737 N VAL B 80 6.174 5.180 3.680 1.00 0.00 N ATOM 2738 CA VAL B 80 7.155 6.174 3.170 1.00 0.00 C ATOM 2739 C VAL B 80 6.548 6.990 2.021 1.00 0.00 C ATOM 2740 O VAL B 80 6.728 8.190 1.943 1.00 0.00 O ATOM 2741 CB VAL B 80 8.405 5.441 2.677 1.00 0.00 C ATOM 2742 CG1 VAL B 80 9.157 4.849 3.874 1.00 0.00 C ATOM 2743 CG2 VAL B 80 8.010 4.318 1.713 1.00 0.00 C ATOM 0 H VAL B 80 6.374 4.209 3.438 1.00 0.00 H new ATOM 0 HA VAL B 80 7.420 6.857 3.977 1.00 0.00 H new ATOM 0 HB VAL B 80 9.049 6.148 2.154 1.00 0.00 H new ATOM 0 HG11 VAL B 80 10.047 4.327 3.523 1.00 0.00 H new ATOM 0 HG12 VAL B 80 9.450 5.651 4.552 1.00 0.00 H new ATOM 0 HG13 VAL B 80 8.509 4.148 4.400 1.00 0.00 H new ATOM 0 HG21 VAL B 80 8.906 3.803 1.368 1.00 0.00 H new ATOM 0 HG22 VAL B 80 7.359 3.610 2.226 1.00 0.00 H new ATOM 0 HG23 VAL B 80 7.483 4.741 0.858 1.00 0.00 H new ATOM 2753 N THR B 81 5.839 6.358 1.125 1.00 0.00 N ATOM 2754 CA THR B 81 5.238 7.114 -0.017 1.00 0.00 C ATOM 2755 C THR B 81 4.241 8.150 0.509 1.00 0.00 C ATOM 2756 O THR B 81 3.805 9.025 -0.214 1.00 0.00 O ATOM 2757 CB THR B 81 4.514 6.141 -0.953 1.00 0.00 C ATOM 2758 OG1 THR B 81 5.321 4.988 -1.159 1.00 0.00 O ATOM 2759 CG2 THR B 81 4.248 6.825 -2.296 1.00 0.00 C ATOM 0 H THR B 81 5.649 5.356 1.132 1.00 0.00 H new ATOM 0 HA THR B 81 6.032 7.624 -0.563 1.00 0.00 H new ATOM 0 HB THR B 81 3.567 5.844 -0.503 1.00 0.00 H new ATOM 0 HG1 THR B 81 5.003 4.260 -0.585 1.00 0.00 H new ATOM 0 HG21 THR B 81 3.733 6.132 -2.961 1.00 0.00 H new ATOM 0 HG22 THR B 81 3.627 7.707 -2.139 1.00 0.00 H new ATOM 0 HG23 THR B 81 5.195 7.124 -2.746 1.00 0.00 H new ATOM 2767 N THR B 82 3.876 8.065 1.759 1.00 0.00 N ATOM 2768 CA THR B 82 2.908 9.051 2.319 1.00 0.00 C ATOM 2769 C THR B 82 3.602 9.901 3.385 1.00 0.00 C ATOM 2770 O THR B 82 3.055 10.870 3.873 1.00 0.00 O ATOM 2771 CB THR B 82 1.728 8.308 2.951 1.00 0.00 C ATOM 2772 OG1 THR B 82 2.207 7.456 3.980 1.00 0.00 O ATOM 2773 CG2 THR B 82 1.018 7.474 1.884 1.00 0.00 C ATOM 0 H THR B 82 4.205 7.357 2.416 1.00 0.00 H new ATOM 0 HA THR B 82 2.546 9.696 1.518 1.00 0.00 H new ATOM 0 HB THR B 82 1.026 9.028 3.371 1.00 0.00 H new ATOM 0 HG1 THR B 82 2.487 6.600 3.593 1.00 0.00 H new ATOM 0 HG21 THR B 82 0.178 6.945 2.335 1.00 0.00 H new ATOM 0 HG22 THR B 82 0.652 8.129 1.094 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.717 6.752 1.462 1.00 0.00 H new ATOM 2781 N ALA B 83 4.804 9.544 3.751 1.00 0.00 N ATOM 2782 CA ALA B 83 5.530 10.332 4.786 1.00 0.00 C ATOM 2783 C ALA B 83 6.541 11.258 4.108 1.00 0.00 C ATOM 2784 O ALA B 83 7.731 11.167 4.340 1.00 0.00 O ATOM 2785 CB ALA B 83 6.265 9.376 5.729 1.00 0.00 C ATOM 0 H ALA B 83 5.313 8.742 3.378 1.00 0.00 H new ATOM 0 HA ALA B 83 4.817 10.929 5.355 1.00 0.00 H new ATOM 0 HB1 ALA B 83 6.797 9.950 6.487 1.00 0.00 H new ATOM 0 HB2 ALA B 83 5.544 8.716 6.213 1.00 0.00 H new ATOM 0 HB3 ALA B 83 6.978 8.779 5.159 1.00 0.00 H new ATOM 2791 N CYS B 84 6.082 12.150 3.273 1.00 0.00 N ATOM 2792 CA CYS B 84 7.025 13.075 2.586 1.00 0.00 C ATOM 2793 C CYS B 84 6.268 14.303 2.073 1.00 0.00 C ATOM 2794 O CYS B 84 6.659 14.925 1.107 1.00 0.00 O ATOM 2795 CB CYS B 84 7.680 12.352 1.408 1.00 0.00 C ATOM 2796 SG CYS B 84 6.439 11.349 0.551 1.00 0.00 S ATOM 0 H CYS B 84 5.098 12.277 3.038 1.00 0.00 H new ATOM 0 HA CYS B 84 7.792 13.395 3.292 1.00 0.00 H new ATOM 0 HB2 CYS B 84 8.116 13.076 0.720 1.00 0.00 H new ATOM 0 HB3 CYS B 84 8.493 11.719 1.763 1.00 0.00 H new ATOM 0 HG CYS B 84 6.458 10.138 1.024 1.00 0.00 H new ATOM 2802 N HIS B 85 5.186 14.657 2.714 1.00 0.00 N ATOM 2803 CA HIS B 85 4.408 15.844 2.263 1.00 0.00 C ATOM 2804 C HIS B 85 4.176 15.761 0.752 1.00 0.00 C ATOM 2805 O HIS B 85 4.250 16.749 0.048 1.00 0.00 O ATOM 2806 CB HIS B 85 5.184 17.121 2.588 1.00 0.00 C ATOM 2807 CG HIS B 85 4.286 18.313 2.404 1.00 0.00 C ATOM 2808 ND1 HIS B 85 4.566 19.317 1.491 1.00 0.00 N ATOM 2809 CD2 HIS B 85 3.107 18.674 3.008 1.00 0.00 C ATOM 2810 CE1 HIS B 85 3.577 20.225 1.570 1.00 0.00 C ATOM 2811 NE2 HIS B 85 2.660 19.882 2.480 1.00 0.00 N ATOM 0 H HIS B 85 4.809 14.175 3.530 1.00 0.00 H new ATOM 0 HA HIS B 85 3.448 15.862 2.779 1.00 0.00 H new ATOM 0 HB2 HIS B 85 5.552 17.085 3.613 1.00 0.00 H new ATOM 0 HB3 HIS B 85 6.056 17.205 1.939 1.00 0.00 H new ATOM 0 HD1 HIS B 85 5.375 19.360 0.872 1.00 0.00 H new ATOM 0 HD2 HIS B 85 2.603 18.107 3.776 1.00 0.00 H new ATOM 0 HE1 HIS B 85 3.530 21.122 0.971 1.00 0.00 H new ATOM 2819 N GLU B 86 3.893 14.590 0.247 1.00 0.00 N ATOM 2820 CA GLU B 86 3.652 14.447 -1.216 1.00 0.00 C ATOM 2821 C GLU B 86 2.175 14.130 -1.454 1.00 0.00 C ATOM 2822 O GLU B 86 1.834 13.238 -2.206 1.00 0.00 O ATOM 2823 CB GLU B 86 4.519 13.314 -1.772 1.00 0.00 C ATOM 2824 CG GLU B 86 4.823 13.580 -3.248 1.00 0.00 C ATOM 2825 CD GLU B 86 4.078 12.563 -4.116 1.00 0.00 C ATOM 2826 OE1 GLU B 86 4.518 11.427 -4.173 1.00 0.00 O ATOM 2827 OE2 GLU B 86 3.079 12.940 -4.707 1.00 0.00 O ATOM 0 H GLU B 86 3.819 13.727 0.785 1.00 0.00 H new ATOM 0 HA GLU B 86 3.912 15.377 -1.722 1.00 0.00 H new ATOM 0 HB2 GLU B 86 5.448 13.241 -1.206 1.00 0.00 H new ATOM 0 HB3 GLU B 86 4.003 12.360 -1.662 1.00 0.00 H new ATOM 0 HG2 GLU B 86 4.521 14.592 -3.515 1.00 0.00 H new ATOM 0 HG3 GLU B 86 5.896 13.510 -3.427 1.00 0.00 H new ATOM 2834 N PHE B 87 1.294 14.852 -0.814 1.00 0.00 N ATOM 2835 CA PHE B 87 -0.162 14.594 -0.999 1.00 0.00 C ATOM 2836 C PHE B 87 -0.584 15.006 -2.410 1.00 0.00 C ATOM 2837 O PHE B 87 -0.798 16.169 -2.687 1.00 0.00 O ATOM 2838 CB PHE B 87 -0.959 15.411 0.023 1.00 0.00 C ATOM 2839 CG PHE B 87 -1.939 14.507 0.732 1.00 0.00 C ATOM 2840 CD1 PHE B 87 -1.468 13.512 1.596 1.00 0.00 C ATOM 2841 CD2 PHE B 87 -3.314 14.665 0.527 1.00 0.00 C ATOM 2842 CE1 PHE B 87 -2.375 12.672 2.254 1.00 0.00 C ATOM 2843 CE2 PHE B 87 -4.221 13.826 1.186 1.00 0.00 C ATOM 2844 CZ PHE B 87 -3.750 12.829 2.050 1.00 0.00 C ATOM 0 H PHE B 87 1.521 15.610 -0.170 1.00 0.00 H new ATOM 0 HA PHE B 87 -0.359 13.532 -0.856 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -0.283 15.870 0.744 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -1.490 16.221 -0.477 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -0.407 13.392 1.755 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -3.676 15.434 -0.139 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -2.013 11.902 2.919 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -5.283 13.947 1.028 1.00 0.00 H new ATOM 0 HZ PHE B 87 -4.449 12.181 2.559 1.00 0.00 H new ATOM 2854 N PHE B 88 -0.713 14.061 -3.301 1.00 0.00 N ATOM 2855 CA PHE B 88 -1.127 14.397 -4.690 1.00 0.00 C ATOM 2856 C PHE B 88 -0.306 15.585 -5.196 1.00 0.00 C ATOM 2857 O PHE B 88 -0.624 16.730 -4.942 1.00 0.00 O ATOM 2858 CB PHE B 88 -2.613 14.749 -4.689 1.00 0.00 C ATOM 2859 CG PHE B 88 -3.375 13.671 -3.957 1.00 0.00 C ATOM 2860 CD1 PHE B 88 -3.470 12.389 -4.508 1.00 0.00 C ATOM 2861 CD2 PHE B 88 -3.976 13.950 -2.723 1.00 0.00 C ATOM 2862 CE1 PHE B 88 -4.168 11.384 -3.827 1.00 0.00 C ATOM 2863 CE2 PHE B 88 -4.673 12.944 -2.042 1.00 0.00 C ATOM 2864 CZ PHE B 88 -4.770 11.661 -2.594 1.00 0.00 C ATOM 0 H PHE B 88 -0.549 13.070 -3.125 1.00 0.00 H new ATOM 0 HA PHE B 88 -0.954 13.545 -5.348 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -2.771 15.714 -4.207 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -2.979 14.840 -5.712 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -3.005 12.174 -5.459 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -3.902 14.940 -2.297 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -4.242 10.394 -4.253 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -5.136 13.158 -1.090 1.00 0.00 H new ATOM 0 HZ PHE B 88 -5.309 10.886 -2.069 1.00 0.00 H new ATOM 2874 N GLU B 89 0.756 15.318 -5.907 1.00 0.00 N ATOM 2875 CA GLU B 89 1.611 16.422 -6.428 1.00 0.00 C ATOM 2876 C GLU B 89 1.137 16.832 -7.826 1.00 0.00 C ATOM 2877 O GLU B 89 1.674 17.738 -8.433 1.00 0.00 O ATOM 2878 CB GLU B 89 3.061 15.936 -6.501 1.00 0.00 C ATOM 2879 CG GLU B 89 3.991 17.124 -6.759 1.00 0.00 C ATOM 2880 CD GLU B 89 4.208 17.893 -5.455 1.00 0.00 C ATOM 2881 OE1 GLU B 89 3.236 18.113 -4.749 1.00 0.00 O ATOM 2882 OE2 GLU B 89 5.343 18.251 -5.184 1.00 0.00 O ATOM 0 H GLU B 89 1.069 14.378 -6.150 1.00 0.00 H new ATOM 0 HA GLU B 89 1.541 17.283 -5.763 1.00 0.00 H new ATOM 0 HB2 GLU B 89 3.336 15.442 -5.569 1.00 0.00 H new ATOM 0 HB3 GLU B 89 3.168 15.199 -7.297 1.00 0.00 H new ATOM 0 HG2 GLU B 89 4.946 16.774 -7.151 1.00 0.00 H new ATOM 0 HG3 GLU B 89 3.559 17.781 -7.514 1.00 0.00 H new ATOM 2889 N HIS B 90 0.139 16.171 -8.346 1.00 0.00 N ATOM 2890 CA HIS B 90 -0.360 16.524 -9.707 1.00 0.00 C ATOM 2891 C HIS B 90 -0.479 18.047 -9.841 1.00 0.00 C ATOM 2892 O HIS B 90 -0.402 18.590 -10.926 1.00 0.00 O ATOM 2893 CB HIS B 90 -1.731 15.869 -9.933 1.00 0.00 C ATOM 2894 CG HIS B 90 -2.803 16.660 -9.228 1.00 0.00 C ATOM 2895 ND1 HIS B 90 -3.549 17.633 -9.875 1.00 0.00 N ATOM 2896 CD2 HIS B 90 -3.265 16.631 -7.936 1.00 0.00 C ATOM 2897 CE1 HIS B 90 -4.411 18.146 -8.978 1.00 0.00 C ATOM 2898 NE2 HIS B 90 -4.280 17.571 -7.780 1.00 0.00 N ATOM 0 H HIS B 90 -0.352 15.403 -7.889 1.00 0.00 H new ATOM 0 HA HIS B 90 0.343 16.159 -10.456 1.00 0.00 H new ATOM 0 HB2 HIS B 90 -1.947 15.818 -11.000 1.00 0.00 H new ATOM 0 HB3 HIS B 90 -1.719 14.845 -9.561 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -2.897 15.978 -7.158 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -5.122 18.928 -9.200 1.00 0.00 H new ATOM 0 HE2 HIS B 90 -4.810 17.776 -6.933 1.00 0.00 H new ATOM 2906 N GLU B 91 -0.668 18.740 -8.750 1.00 0.00 N ATOM 2907 CA GLU B 91 -0.793 20.225 -8.826 1.00 0.00 C ATOM 2908 C GLU B 91 0.346 20.789 -9.677 1.00 0.00 C ATOM 2909 O GLU B 91 0.057 21.356 -10.717 1.00 0.00 O ATOM 2910 CB GLU B 91 -0.721 20.820 -7.417 1.00 0.00 C ATOM 2911 CG GLU B 91 -0.903 22.339 -7.492 1.00 0.00 C ATOM 2912 CD GLU B 91 -2.393 22.670 -7.584 1.00 0.00 C ATOM 2913 OE1 GLU B 91 -3.181 21.741 -7.671 1.00 0.00 O ATOM 2914 OE2 GLU B 91 -2.721 23.845 -7.565 1.00 0.00 O ATOM 2915 OXT GLU B 91 1.488 20.644 -9.273 1.00 0.00 O ATOM 0 H GLU B 91 -0.741 18.344 -7.813 1.00 0.00 H new ATOM 0 HA GLU B 91 -1.750 20.485 -9.279 1.00 0.00 H new ATOM 0 HB2 GLU B 91 -1.494 20.381 -6.786 1.00 0.00 H new ATOM 0 HB3 GLU B 91 0.238 20.581 -6.959 1.00 0.00 H new ATOM 0 HG2 GLU B 91 -0.468 22.812 -6.611 1.00 0.00 H new ATOM 0 HG3 GLU B 91 -0.377 22.737 -8.360 1.00 0.00 H new TER 2922 GLU B 91