USER MOD reduce.3.24.130724 H: found=0, std=0, add=1354, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1350 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 41 SER OG : rot -58:sc= 0.226 USER MOD Set 1.2: B 42 HIS : no HD1:sc= 0.00519 K(o=0.23,f=-3.4) USER MOD Set 2.1: A 85 HIS : no HE2:sc= -1.68 K(o=-8.6,f=-11) USER MOD Set 2.2: B 15 HIS :FLIP no HD1:sc= -0.582 F(o=-9.2,f=-8.6) USER MOD Set 2.3: B 25 HIS : no HD1:sc= -6.31! C(o=-8.6!,f=-12!) USER MOD Set 3.1: A 41 SER OG : rot -55:sc= 0.224 USER MOD Set 3.2: A 42 HIS : no HD1:sc= 0.0463 K(o=0.27,f=-3.3) USER MOD Set 4.1: A 15 HIS :FLIP no HD1:sc= -0.923 F(o=-11,f=-9.3) USER MOD Set 4.2: A 25 HIS : no HD1:sc= -6.3! C(o=-9.3!,f=-13!) USER MOD Set 4.3: B 85 HIS : no HE2:sc= -2.05 K(o=-9.3,f=-13!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -158:sc= -0.653 (180deg=-1.57!) USER MOD Single : A 16 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.056) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -102:sc= 0.713 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -112:sc= -1.86! (180deg=-2.2!) USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= -0.902 (180deg=-2.42!) USER MOD Single : A 29 LYS NZ :NH3+ 149:sc= -0.27 (180deg=-1.29!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.013 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN :FLIP amide:sc= -1.35 F(o=-4.2!,f=-1.4) USER MOD Single : A 38 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ -153:sc= -0.111 (180deg=-0.639) USER MOD Single : A 50 GLN : amide:sc= -0.422 X(o=-0.42,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -156:sc= -0.0049 (180deg=-0.689) USER MOD Single : A 57 MET CE :methyl 163:sc= -1.27 (180deg=-2.2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 96:sc= -2.31! USER MOD Single : A 71 GLN :FLIP amide:sc= -5.76! C(o=-8.8!,f=-5.8!) USER MOD Single : A 74 MET CE :methyl 172:sc= -1.24 (180deg=-1.5) USER MOD Single : A 78 SER OG : rot 130:sc= -2.15! USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -139:sc= -0.158 USER MOD Single : A 82 THR OG1 : rot 150:sc= -1.05 USER MOD Single : A 84 CYS SG : rot -34:sc= 0.105 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 MET CE :methyl -161:sc= -0.558 (180deg=-1.52!) USER MOD Single : B 16 GLN : amide:sc= -0.503 X(o=-0.5,f=-0.077) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 SER OG : rot -61:sc= 0.703 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 LYS NZ :NH3+ 137:sc= -1.93! (180deg=-2.17!) USER MOD Single : B 28 LYS NZ :NH3+ 159:sc= -1.01 (180deg=-2.43!) USER MOD Single : B 29 LYS NZ :NH3+ 128:sc= -0.173 (180deg=-1.11) USER MOD Single : B 30 SER OG : rot 180:sc= 0.0107 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN :FLIP amide:sc= -1.41 F(o=-4.2!,f=-1.4) USER MOD Single : B 38 ASN : amide:sc= -0.0782 K(o=-0.078,f=-1.1) USER MOD Single : B 48 LYS NZ :NH3+ -126:sc= -0.101 (180deg=-0.776) USER MOD Single : B 50 GLN : amide:sc= -0.444 X(o=-0.44,f=0) USER MOD Single : B 55 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.61) USER MOD Single : B 57 MET CE :methyl 160:sc= -1.35 (180deg=-2.3!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 CYS SG : rot 101:sc= -2.32! USER MOD Single : B 71 GLN :FLIP amide:sc= -6.06! C(o=-9!,f=-6.1!) USER MOD Single : B 74 MET CE :methyl 174:sc= -1.19 (180deg=-1.4) USER MOD Single : B 78 SER OG : rot 131:sc= -3.03! USER MOD Single : B 79 MET CE :methyl 180:sc=-0.000641 (180deg=-0.000641) USER MOD Single : B 81 THR OG1 : rot -140:sc= -0.0808 USER MOD Single : B 82 THR OG1 : rot 168:sc= -1.05 USER MOD Single : B 84 CYS SG : rot -36:sc= 0.0712 USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 2 -7.894 1.444 11.800 1.00 0.00 N ATOM 32 CA GLU A 2 -6.715 0.556 11.631 1.00 0.00 C ATOM 33 C GLU A 2 -5.933 1.054 10.414 1.00 0.00 C ATOM 34 O GLU A 2 -4.727 0.930 10.336 1.00 0.00 O ATOM 35 CB GLU A 2 -7.184 -0.884 11.416 1.00 0.00 C ATOM 36 CG GLU A 2 -7.673 -1.453 12.747 1.00 0.00 C ATOM 37 CD GLU A 2 -8.328 -2.817 12.515 1.00 0.00 C ATOM 38 OE1 GLU A 2 -8.669 -3.104 11.380 1.00 0.00 O ATOM 39 OE2 GLU A 2 -8.474 -3.552 13.478 1.00 0.00 O ATOM 0 HA GLU A 2 -6.080 0.576 12.517 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.985 -0.912 10.678 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.368 -1.491 11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.837 -1.553 13.440 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.387 -0.769 13.206 1.00 0.00 H new ATOM 46 N LEU A 3 -6.624 1.645 9.474 1.00 0.00 N ATOM 47 CA LEU A 3 -5.948 2.187 8.263 1.00 0.00 C ATOM 48 C LEU A 3 -5.147 3.430 8.671 1.00 0.00 C ATOM 49 O LEU A 3 -4.190 3.803 8.023 1.00 0.00 O ATOM 50 CB LEU A 3 -7.019 2.561 7.211 1.00 0.00 C ATOM 51 CG LEU A 3 -7.172 1.461 6.137 1.00 0.00 C ATOM 52 CD1 LEU A 3 -6.058 1.590 5.091 1.00 0.00 C ATOM 53 CD2 LEU A 3 -7.138 0.058 6.770 1.00 0.00 C ATOM 0 H LEU A 3 -7.635 1.775 9.496 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.275 1.445 7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.976 2.721 7.707 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.747 3.502 6.733 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.140 1.592 5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.174 0.810 4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.119 2.568 4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.088 1.483 5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.248 -0.696 5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.187 -0.087 7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.955 -0.038 7.485 1.00 0.00 H new ATOM 65 N GLU A 4 -5.512 4.058 9.758 1.00 0.00 N ATOM 66 CA GLU A 4 -4.750 5.251 10.216 1.00 0.00 C ATOM 67 C GLU A 4 -3.514 4.743 10.947 1.00 0.00 C ATOM 68 O GLU A 4 -2.482 5.384 10.976 1.00 0.00 O ATOM 69 CB GLU A 4 -5.617 6.098 11.159 1.00 0.00 C ATOM 70 CG GLU A 4 -4.753 7.148 11.866 1.00 0.00 C ATOM 71 CD GLU A 4 -5.657 8.195 12.524 1.00 0.00 C ATOM 72 OE1 GLU A 4 -6.780 8.352 12.072 1.00 0.00 O ATOM 73 OE2 GLU A 4 -5.210 8.823 13.469 1.00 0.00 O ATOM 0 H GLU A 4 -6.303 3.795 10.345 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.465 5.878 9.371 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.410 6.588 10.595 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.100 5.457 11.896 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.124 6.671 12.618 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.085 7.627 11.150 1.00 0.00 H new ATOM 80 N LYS A 5 -3.612 3.574 11.520 1.00 0.00 N ATOM 81 CA LYS A 5 -2.441 2.992 12.233 1.00 0.00 C ATOM 82 C LYS A 5 -1.349 2.697 11.197 1.00 0.00 C ATOM 83 O LYS A 5 -0.182 2.973 11.398 1.00 0.00 O ATOM 84 CB LYS A 5 -2.881 1.676 12.932 1.00 0.00 C ATOM 85 CG LYS A 5 -2.658 1.760 14.446 1.00 0.00 C ATOM 86 CD LYS A 5 -3.734 2.653 15.087 1.00 0.00 C ATOM 87 CE LYS A 5 -5.114 1.968 15.036 1.00 0.00 C ATOM 88 NZ LYS A 5 -5.919 2.409 16.209 1.00 0.00 N ATOM 0 H LYS A 5 -4.453 2.997 11.525 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.060 3.684 12.984 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.934 1.484 12.726 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.318 0.837 12.523 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.694 0.762 14.883 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.667 2.164 14.654 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.467 2.866 16.122 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.778 3.609 14.565 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.627 2.225 14.109 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.997 0.884 15.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.852 1.951 16.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.428 2.143 17.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.039 3.442 16.179 1.00 0.00 H new ATOM 102 N ALA A 6 -1.741 2.130 10.095 1.00 0.00 N ATOM 103 CA ALA A 6 -0.764 1.791 9.021 1.00 0.00 C ATOM 104 C ALA A 6 -0.196 3.067 8.403 1.00 0.00 C ATOM 105 O ALA A 6 1.002 3.222 8.269 1.00 0.00 O ATOM 106 CB ALA A 6 -1.468 0.976 7.938 1.00 0.00 C ATOM 0 H ALA A 6 -2.708 1.883 9.887 1.00 0.00 H new ATOM 0 HA ALA A 6 0.052 1.211 9.452 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.757 0.726 7.151 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.865 0.059 8.373 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.286 1.561 7.516 1.00 0.00 H new ATOM 112 N MET A 7 -1.040 3.978 8.016 1.00 0.00 N ATOM 113 CA MET A 7 -0.537 5.235 7.395 1.00 0.00 C ATOM 114 C MET A 7 0.568 5.827 8.268 1.00 0.00 C ATOM 115 O MET A 7 1.570 6.312 7.778 1.00 0.00 O ATOM 116 CB MET A 7 -1.671 6.262 7.294 1.00 0.00 C ATOM 117 CG MET A 7 -2.739 5.801 6.296 1.00 0.00 C ATOM 118 SD MET A 7 -4.314 6.594 6.725 1.00 0.00 S ATOM 119 CE MET A 7 -5.230 6.178 5.221 1.00 0.00 C ATOM 0 H MET A 7 -2.054 3.909 8.102 1.00 0.00 H new ATOM 0 HA MET A 7 -0.155 5.005 6.400 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.123 6.408 8.275 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.268 7.225 6.982 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.447 6.066 5.280 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.841 4.716 6.326 1.00 0.00 H new ATOM 0 HE1 MET A 7 -6.060 6.874 5.096 1.00 0.00 H new ATOM 0 HE2 MET A 7 -4.566 6.247 4.360 1.00 0.00 H new ATOM 0 HE3 MET A 7 -5.617 5.162 5.300 1.00 0.00 H new ATOM 129 N VAL A 8 0.386 5.803 9.557 1.00 0.00 N ATOM 130 CA VAL A 8 1.420 6.375 10.461 1.00 0.00 C ATOM 131 C VAL A 8 2.636 5.450 10.498 1.00 0.00 C ATOM 132 O VAL A 8 3.766 5.894 10.474 1.00 0.00 O ATOM 133 CB VAL A 8 0.831 6.530 11.869 1.00 0.00 C ATOM 134 CG1 VAL A 8 1.951 6.828 12.875 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.177 7.684 11.869 1.00 0.00 C ATOM 0 H VAL A 8 -0.433 5.413 10.024 1.00 0.00 H new ATOM 0 HA VAL A 8 1.732 7.353 10.093 1.00 0.00 H new ATOM 0 HB VAL A 8 0.332 5.604 12.156 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.525 6.937 13.872 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.668 6.007 12.874 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.456 7.752 12.594 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.599 7.799 12.868 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.326 8.607 11.580 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.976 7.469 11.160 1.00 0.00 H new ATOM 145 N ALA A 9 2.416 4.170 10.563 1.00 0.00 N ATOM 146 CA ALA A 9 3.566 3.228 10.607 1.00 0.00 C ATOM 147 C ALA A 9 4.404 3.369 9.332 1.00 0.00 C ATOM 148 O ALA A 9 5.619 3.260 9.357 1.00 0.00 O ATOM 149 CB ALA A 9 3.044 1.792 10.715 1.00 0.00 C ATOM 0 H ALA A 9 1.494 3.735 10.588 1.00 0.00 H new ATOM 0 HA ALA A 9 4.186 3.460 11.473 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.886 1.100 10.747 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.453 1.687 11.625 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.421 1.565 9.850 1.00 0.00 H new ATOM 155 N LEU A 10 3.775 3.606 8.209 1.00 0.00 N ATOM 156 CA LEU A 10 4.558 3.731 6.947 1.00 0.00 C ATOM 157 C LEU A 10 5.201 5.115 6.862 1.00 0.00 C ATOM 158 O LEU A 10 6.345 5.232 6.510 1.00 0.00 O ATOM 159 CB LEU A 10 3.631 3.497 5.740 1.00 0.00 C ATOM 160 CG LEU A 10 3.590 2.002 5.396 1.00 0.00 C ATOM 161 CD1 LEU A 10 3.126 1.199 6.611 1.00 0.00 C ATOM 162 CD2 LEU A 10 2.615 1.775 4.247 1.00 0.00 C ATOM 0 H LEU A 10 2.766 3.717 8.113 1.00 0.00 H new ATOM 0 HA LEU A 10 5.349 2.981 6.939 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.627 3.855 5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.986 4.067 4.882 1.00 0.00 H new ATOM 0 HG LEU A 10 4.589 1.675 5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.100 0.139 6.358 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.818 1.358 7.438 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.129 1.527 6.905 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.584 0.714 4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.620 2.108 4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.943 2.341 3.375 1.00 0.00 H new ATOM 174 N ILE A 11 4.481 6.160 7.163 1.00 0.00 N ATOM 175 CA ILE A 11 5.057 7.539 7.071 1.00 0.00 C ATOM 176 C ILE A 11 6.469 7.542 7.676 1.00 0.00 C ATOM 177 O ILE A 11 7.400 8.078 7.107 1.00 0.00 O ATOM 178 CB ILE A 11 4.098 8.516 7.834 1.00 0.00 C ATOM 179 CG1 ILE A 11 3.530 9.569 6.873 1.00 0.00 C ATOM 180 CG2 ILE A 11 4.802 9.250 8.995 1.00 0.00 C ATOM 181 CD1 ILE A 11 2.465 8.934 5.973 1.00 0.00 C ATOM 0 H ILE A 11 3.510 6.121 7.472 1.00 0.00 H new ATOM 0 HA ILE A 11 5.142 7.864 6.034 1.00 0.00 H new ATOM 0 HB ILE A 11 3.299 7.900 8.247 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.096 10.393 7.439 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.331 9.987 6.264 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.093 9.914 9.489 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.177 8.520 9.713 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.634 9.835 8.604 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.066 9.687 5.294 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.912 8.125 5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.658 8.537 6.589 1.00 0.00 H new ATOM 193 N ASP A 12 6.629 6.951 8.818 1.00 0.00 N ATOM 194 CA ASP A 12 7.973 6.921 9.457 1.00 0.00 C ATOM 195 C ASP A 12 8.954 6.159 8.568 1.00 0.00 C ATOM 196 O ASP A 12 10.032 6.634 8.269 1.00 0.00 O ATOM 197 CB ASP A 12 7.877 6.226 10.817 1.00 0.00 C ATOM 198 CG ASP A 12 7.179 7.147 11.821 1.00 0.00 C ATOM 199 OD1 ASP A 12 7.846 8.014 12.362 1.00 0.00 O ATOM 200 OD2 ASP A 12 5.991 6.968 12.033 1.00 0.00 O ATOM 0 H ASP A 12 5.888 6.485 9.342 1.00 0.00 H new ATOM 0 HA ASP A 12 8.327 7.943 9.591 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.323 5.292 10.720 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.874 5.970 11.176 1.00 0.00 H new ATOM 205 N VAL A 13 8.597 4.979 8.149 1.00 0.00 N ATOM 206 CA VAL A 13 9.519 4.184 7.287 1.00 0.00 C ATOM 207 C VAL A 13 9.513 4.728 5.853 1.00 0.00 C ATOM 208 O VAL A 13 10.464 4.565 5.117 1.00 0.00 O ATOM 209 CB VAL A 13 9.075 2.715 7.297 1.00 0.00 C ATOM 210 CG1 VAL A 13 10.088 1.850 6.531 1.00 0.00 C ATOM 211 CG2 VAL A 13 8.968 2.227 8.751 1.00 0.00 C ATOM 0 H VAL A 13 7.708 4.529 8.365 1.00 0.00 H new ATOM 0 HA VAL A 13 10.534 4.261 7.677 1.00 0.00 H new ATOM 0 HB VAL A 13 8.104 2.630 6.810 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.762 0.810 6.545 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.155 2.196 5.499 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.066 1.930 7.005 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.653 1.184 8.762 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.939 2.318 9.238 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.236 2.833 9.285 1.00 0.00 H new ATOM 221 N PHE A 14 8.447 5.359 5.446 1.00 0.00 N ATOM 222 CA PHE A 14 8.389 5.892 4.049 1.00 0.00 C ATOM 223 C PHE A 14 9.319 7.105 3.915 1.00 0.00 C ATOM 224 O PHE A 14 10.017 7.255 2.934 1.00 0.00 O ATOM 225 CB PHE A 14 6.939 6.311 3.709 1.00 0.00 C ATOM 226 CG PHE A 14 6.208 5.182 3.015 1.00 0.00 C ATOM 227 CD1 PHE A 14 6.401 3.860 3.431 1.00 0.00 C ATOM 228 CD2 PHE A 14 5.339 5.463 1.952 1.00 0.00 C ATOM 229 CE1 PHE A 14 5.725 2.817 2.784 1.00 0.00 C ATOM 230 CE2 PHE A 14 4.664 4.421 1.306 1.00 0.00 C ATOM 231 CZ PHE A 14 4.857 3.098 1.721 1.00 0.00 C ATOM 0 H PHE A 14 7.617 5.530 6.013 1.00 0.00 H new ATOM 0 HA PHE A 14 8.712 5.114 3.357 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.411 6.587 4.622 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.950 7.193 3.068 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.071 3.644 4.250 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.190 6.484 1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.873 1.796 3.105 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.994 4.638 0.487 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.337 2.294 1.222 1.00 0.00 H new ATOM 241 N HIS A 15 9.312 7.982 4.877 1.00 0.00 N ATOM 242 CA HIS A 15 10.172 9.195 4.780 1.00 0.00 C ATOM 243 C HIS A 15 11.633 8.846 5.088 1.00 0.00 C ATOM 244 O HIS A 15 12.543 9.378 4.482 1.00 0.00 O ATOM 245 CB HIS A 15 9.659 10.254 5.775 1.00 0.00 C ATOM 246 CG HIS A 15 10.013 11.640 5.294 1.00 0.00 C ATOM 247 ND1 HIS A 15 9.934 12.235 4.057 1.00 0.00 N flip ATOM 248 CD2 HIS A 15 10.513 12.611 6.147 1.00 0.00 C flip ATOM 249 CE1 HIS A 15 10.376 13.551 4.140 1.00 0.00 C flip ATOM 250 NE2 HIS A 15 10.714 13.726 5.421 1.00 0.00 N flip ATOM 0 H HIS A 15 8.750 7.913 5.725 1.00 0.00 H new ATOM 0 HA HIS A 15 10.124 9.590 3.765 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.578 10.165 5.886 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.096 10.080 6.759 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.706 12.494 7.203 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.434 14.276 3.341 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.080 14.599 5.802 1.00 0.00 H new ATOM 258 N GLN A 16 11.874 7.970 6.023 1.00 0.00 N ATOM 259 CA GLN A 16 13.286 7.614 6.354 1.00 0.00 C ATOM 260 C GLN A 16 13.930 6.858 5.186 1.00 0.00 C ATOM 261 O GLN A 16 15.090 7.050 4.874 1.00 0.00 O ATOM 262 CB GLN A 16 13.314 6.731 7.604 1.00 0.00 C ATOM 263 CG GLN A 16 12.867 7.544 8.820 1.00 0.00 C ATOM 264 CD GLN A 16 12.578 6.598 9.988 1.00 0.00 C ATOM 265 OE1 GLN A 16 13.400 5.772 10.335 1.00 0.00 O ATOM 266 NE2 GLN A 16 11.436 6.681 10.612 1.00 0.00 N ATOM 0 H GLN A 16 11.161 7.487 6.570 1.00 0.00 H new ATOM 0 HA GLN A 16 13.845 8.531 6.538 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.658 5.871 7.468 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.320 6.342 7.764 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.643 8.257 9.099 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.975 8.122 8.577 1.00 0.00 H new ATOM 0 HE21 GLN A 16 10.746 7.373 10.322 1.00 0.00 H new ATOM 0 HE22 GLN A 16 11.233 6.053 11.390 1.00 0.00 H new ATOM 275 N TYR A 17 13.193 5.997 4.539 1.00 0.00 N ATOM 276 CA TYR A 17 13.773 5.223 3.400 1.00 0.00 C ATOM 277 C TYR A 17 13.622 6.004 2.098 1.00 0.00 C ATOM 278 O TYR A 17 14.597 6.316 1.441 1.00 0.00 O ATOM 279 CB TYR A 17 13.051 3.877 3.292 1.00 0.00 C ATOM 280 CG TYR A 17 13.568 2.946 4.367 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.280 3.205 5.713 1.00 0.00 C ATOM 282 CD2 TYR A 17 14.344 1.832 4.019 1.00 0.00 C ATOM 283 CE1 TYR A 17 13.767 2.349 6.710 1.00 0.00 C ATOM 284 CE2 TYR A 17 14.829 0.976 5.016 1.00 0.00 C ATOM 285 CZ TYR A 17 14.541 1.236 6.362 1.00 0.00 C ATOM 286 OH TYR A 17 15.022 0.395 7.345 1.00 0.00 O ATOM 0 H TYR A 17 12.215 5.795 4.748 1.00 0.00 H new ATOM 0 HA TYR A 17 14.835 5.056 3.579 1.00 0.00 H new ATOM 0 HB2 TYR A 17 11.976 4.018 3.403 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.216 3.441 2.307 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.683 4.064 5.982 1.00 0.00 H new ATOM 0 HD2 TYR A 17 14.568 1.633 2.981 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.545 2.548 7.748 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.425 0.116 4.747 1.00 0.00 H new ATOM 0 HH TYR A 17 15.539 -0.328 6.933 1.00 0.00 H new ATOM 296 N SER A 18 12.424 6.331 1.714 1.00 0.00 N ATOM 297 CA SER A 18 12.251 7.095 0.452 1.00 0.00 C ATOM 298 C SER A 18 13.049 8.395 0.554 1.00 0.00 C ATOM 299 O SER A 18 13.448 8.974 -0.435 1.00 0.00 O ATOM 300 CB SER A 18 10.773 7.416 0.239 1.00 0.00 C ATOM 301 OG SER A 18 10.430 8.575 0.985 1.00 0.00 O ATOM 0 H SER A 18 11.564 6.105 2.214 1.00 0.00 H new ATOM 0 HA SER A 18 12.608 6.503 -0.391 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.574 7.580 -0.820 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.157 6.573 0.552 1.00 0.00 H new ATOM 0 HG SER A 18 9.958 8.310 1.802 1.00 0.00 H new ATOM 307 N GLY A 19 13.281 8.856 1.756 1.00 0.00 N ATOM 308 CA GLY A 19 14.051 10.123 1.955 1.00 0.00 C ATOM 309 C GLY A 19 15.509 9.803 2.306 1.00 0.00 C ATOM 310 O GLY A 19 16.301 10.691 2.553 1.00 0.00 O ATOM 0 H GLY A 19 12.968 8.406 2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.011 10.728 1.049 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.598 10.712 2.752 1.00 0.00 H new ATOM 314 N ARG A 20 15.880 8.549 2.318 1.00 0.00 N ATOM 315 CA ARG A 20 17.294 8.197 2.639 1.00 0.00 C ATOM 316 C ARG A 20 18.206 8.771 1.557 1.00 0.00 C ATOM 317 O ARG A 20 19.249 9.325 1.838 1.00 0.00 O ATOM 318 CB ARG A 20 17.439 6.674 2.677 1.00 0.00 C ATOM 319 CG ARG A 20 18.841 6.281 3.148 1.00 0.00 C ATOM 320 CD ARG A 20 19.069 4.797 2.859 1.00 0.00 C ATOM 321 NE ARG A 20 20.430 4.408 3.323 1.00 0.00 N ATOM 322 CZ ARG A 20 20.662 4.237 4.596 1.00 0.00 C ATOM 323 NH1 ARG A 20 19.695 4.382 5.460 1.00 0.00 N ATOM 324 NH2 ARG A 20 21.859 3.918 5.003 1.00 0.00 N ATOM 0 H ARG A 20 15.268 7.757 2.120 1.00 0.00 H new ATOM 0 HA ARG A 20 17.570 8.611 3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.691 6.248 3.346 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.252 6.260 1.686 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.592 6.883 2.637 1.00 0.00 H new ATOM 0 HG3 ARG A 20 18.948 6.477 4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.314 4.196 3.366 1.00 0.00 H new ATOM 0 HD3 ARG A 20 18.967 4.603 1.791 1.00 0.00 H new ATOM 0 HE ARG A 20 21.181 4.275 2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 20 18.758 4.629 5.140 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.876 4.248 6.455 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.614 3.802 4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 20 22.041 3.784 5.998 1.00 0.00 H new ATOM 338 N GLU A 21 17.812 8.649 0.321 1.00 0.00 N ATOM 339 CA GLU A 21 18.649 9.197 -0.786 1.00 0.00 C ATOM 340 C GLU A 21 17.759 9.471 -2.006 1.00 0.00 C ATOM 341 O GLU A 21 16.714 8.876 -2.171 1.00 0.00 O ATOM 342 CB GLU A 21 19.760 8.190 -1.145 1.00 0.00 C ATOM 343 CG GLU A 21 19.297 6.766 -0.826 1.00 0.00 C ATOM 344 CD GLU A 21 20.293 5.765 -1.412 1.00 0.00 C ATOM 345 OE1 GLU A 21 20.148 5.427 -2.575 1.00 0.00 O ATOM 346 OE2 GLU A 21 21.186 5.356 -0.688 1.00 0.00 O ATOM 0 H GLU A 21 16.947 8.194 0.028 1.00 0.00 H new ATOM 0 HA GLU A 21 19.115 10.130 -0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.009 8.272 -2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.666 8.421 -0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 21 19.220 6.630 0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.304 6.593 -1.241 1.00 0.00 H new ATOM 353 N GLY A 22 18.175 10.376 -2.858 1.00 0.00 N ATOM 354 CA GLY A 22 17.369 10.711 -4.076 1.00 0.00 C ATOM 355 C GLY A 22 16.637 12.033 -3.856 1.00 0.00 C ATOM 356 O GLY A 22 16.982 12.807 -2.986 1.00 0.00 O ATOM 0 H GLY A 22 19.044 10.901 -2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 22 18.020 10.785 -4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.652 9.916 -4.280 1.00 0.00 H new ATOM 360 N ASP A 23 15.629 12.301 -4.642 1.00 0.00 N ATOM 361 CA ASP A 23 14.877 13.578 -4.481 1.00 0.00 C ATOM 362 C ASP A 23 14.553 13.793 -3.002 1.00 0.00 C ATOM 363 O ASP A 23 15.231 14.529 -2.311 1.00 0.00 O ATOM 364 CB ASP A 23 13.583 13.512 -5.294 1.00 0.00 C ATOM 365 CG ASP A 23 13.923 13.506 -6.786 1.00 0.00 C ATOM 366 OD1 ASP A 23 14.260 12.448 -7.292 1.00 0.00 O ATOM 367 OD2 ASP A 23 13.843 14.559 -7.396 1.00 0.00 O ATOM 0 H ASP A 23 15.294 11.691 -5.388 1.00 0.00 H new ATOM 0 HA ASP A 23 15.483 14.410 -4.840 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.022 12.615 -5.034 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.947 14.365 -5.058 1.00 0.00 H new ATOM 372 N LYS A 24 13.530 13.154 -2.501 1.00 0.00 N ATOM 373 CA LYS A 24 13.183 13.325 -1.061 1.00 0.00 C ATOM 374 C LYS A 24 11.962 12.451 -0.726 1.00 0.00 C ATOM 375 O LYS A 24 11.584 12.322 0.421 1.00 0.00 O ATOM 376 CB LYS A 24 12.875 14.824 -0.774 1.00 0.00 C ATOM 377 CG LYS A 24 13.802 15.378 0.322 1.00 0.00 C ATOM 378 CD LYS A 24 13.374 14.825 1.685 1.00 0.00 C ATOM 379 CE LYS A 24 14.447 15.143 2.728 1.00 0.00 C ATOM 380 NZ LYS A 24 14.010 14.642 4.061 1.00 0.00 N ATOM 0 H LYS A 24 12.922 12.524 -3.024 1.00 0.00 H new ATOM 0 HA LYS A 24 14.022 13.015 -0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 24 12.998 15.406 -1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.835 14.933 -0.465 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.835 15.100 0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.761 16.467 0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.421 15.263 1.983 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.223 13.747 1.620 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.392 14.679 2.446 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.620 16.218 2.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.740 14.858 4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.118 15.104 4.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.867 13.613 4.015 1.00 0.00 H new ATOM 394 N HIS A 25 11.347 11.847 -1.712 1.00 0.00 N ATOM 395 CA HIS A 25 10.159 10.986 -1.425 1.00 0.00 C ATOM 396 C HIS A 25 10.010 9.902 -2.495 1.00 0.00 C ATOM 397 O HIS A 25 8.926 9.662 -2.992 1.00 0.00 O ATOM 398 CB HIS A 25 8.886 11.847 -1.391 1.00 0.00 C ATOM 399 CG HIS A 25 9.169 13.175 -0.738 1.00 0.00 C ATOM 400 ND1 HIS A 25 9.399 13.302 0.627 1.00 0.00 N ATOM 401 CD2 HIS A 25 9.237 14.448 -1.247 1.00 0.00 C ATOM 402 CE1 HIS A 25 9.591 14.610 0.887 1.00 0.00 C ATOM 403 NE2 HIS A 25 9.500 15.347 -0.220 1.00 0.00 N ATOM 0 H HIS A 25 11.613 11.912 -2.695 1.00 0.00 H new ATOM 0 HA HIS A 25 10.305 10.509 -0.456 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.518 12.004 -2.405 1.00 0.00 H new ATOM 0 HB3 HIS A 25 8.101 11.325 -0.844 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.106 14.711 -2.286 1.00 0.00 H new ATOM 0 HE1 HIS A 25 9.793 15.011 1.869 1.00 0.00 H new ATOM 0 HE2 HIS A 25 9.602 16.359 -0.297 1.00 0.00 H new ATOM 411 N LYS A 26 11.079 9.225 -2.838 1.00 0.00 N ATOM 412 CA LYS A 26 10.995 8.133 -3.858 1.00 0.00 C ATOM 413 C LYS A 26 11.759 6.921 -3.321 1.00 0.00 C ATOM 414 O LYS A 26 12.739 7.056 -2.620 1.00 0.00 O ATOM 415 CB LYS A 26 11.614 8.605 -5.182 1.00 0.00 C ATOM 416 CG LYS A 26 11.156 7.693 -6.338 1.00 0.00 C ATOM 417 CD LYS A 26 11.418 8.376 -7.694 1.00 0.00 C ATOM 418 CE LYS A 26 10.238 9.282 -8.071 1.00 0.00 C ATOM 419 NZ LYS A 26 9.119 8.446 -8.586 1.00 0.00 N ATOM 0 H LYS A 26 12.010 9.383 -2.453 1.00 0.00 H new ATOM 0 HA LYS A 26 9.954 7.867 -4.043 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.319 9.635 -5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.701 8.593 -5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.688 6.743 -6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.094 7.469 -6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.334 8.964 -7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.567 7.621 -8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.911 9.852 -7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.546 10.003 -8.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.985 8.632 -9.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.343 7.440 -8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.245 8.681 -8.073 1.00 0.00 H new ATOM 433 N LEU A 27 11.306 5.739 -3.635 1.00 0.00 N ATOM 434 CA LEU A 27 11.984 4.506 -3.130 1.00 0.00 C ATOM 435 C LEU A 27 13.116 4.097 -4.079 1.00 0.00 C ATOM 436 O LEU A 27 12.920 3.917 -5.266 1.00 0.00 O ATOM 437 CB LEU A 27 10.941 3.379 -3.049 1.00 0.00 C ATOM 438 CG LEU A 27 11.464 2.179 -2.221 1.00 0.00 C ATOM 439 CD1 LEU A 27 10.277 1.337 -1.737 1.00 0.00 C ATOM 440 CD2 LEU A 27 12.387 1.290 -3.077 1.00 0.00 C ATOM 0 H LEU A 27 10.490 5.570 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 27 12.412 4.696 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.025 3.761 -2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.686 3.045 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 27 12.027 2.564 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.644 0.492 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.625 1.951 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.717 0.969 -2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.744 0.453 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.833 0.911 -3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.238 1.877 -3.424 1.00 0.00 H new ATOM 452 N LYS A 28 14.300 3.925 -3.540 1.00 0.00 N ATOM 453 CA LYS A 28 15.478 3.497 -4.363 1.00 0.00 C ATOM 454 C LYS A 28 15.822 2.045 -4.008 1.00 0.00 C ATOM 455 O LYS A 28 15.631 1.620 -2.888 1.00 0.00 O ATOM 456 CB LYS A 28 16.681 4.385 -4.028 1.00 0.00 C ATOM 457 CG LYS A 28 16.583 5.713 -4.780 1.00 0.00 C ATOM 458 CD LYS A 28 17.772 6.594 -4.390 1.00 0.00 C ATOM 459 CE LYS A 28 17.961 7.703 -5.425 1.00 0.00 C ATOM 460 NZ LYS A 28 16.631 8.147 -5.929 1.00 0.00 N ATOM 0 H LYS A 28 14.503 4.065 -2.550 1.00 0.00 H new ATOM 0 HA LYS A 28 15.241 3.584 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 28 16.719 4.569 -2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.606 3.874 -4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 28 16.581 5.537 -5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.646 6.215 -4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 28 17.605 7.029 -3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.677 5.990 -4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 28 18.492 8.544 -4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 28 18.573 7.342 -6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.719 9.092 -6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.289 7.475 -6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.955 8.184 -5.139 1.00 0.00 H new ATOM 474 N LYS A 29 16.343 1.283 -4.940 1.00 0.00 N ATOM 475 CA LYS A 29 16.705 -0.138 -4.627 1.00 0.00 C ATOM 476 C LYS A 29 17.406 -0.202 -3.266 1.00 0.00 C ATOM 477 O LYS A 29 17.066 -1.003 -2.418 1.00 0.00 O ATOM 478 CB LYS A 29 17.651 -0.692 -5.700 1.00 0.00 C ATOM 479 CG LYS A 29 16.910 -0.869 -7.044 1.00 0.00 C ATOM 480 CD LYS A 29 17.544 -2.017 -7.847 1.00 0.00 C ATOM 481 CE LYS A 29 17.179 -1.883 -9.328 1.00 0.00 C ATOM 482 NZ LYS A 29 17.718 -0.598 -9.854 1.00 0.00 N ATOM 0 H LYS A 29 16.533 1.580 -5.897 1.00 0.00 H new ATOM 0 HA LYS A 29 15.793 -0.735 -4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.496 -0.016 -5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.057 -1.650 -5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.856 -1.080 -6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.956 0.056 -7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.627 -2.000 -7.728 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.196 -2.976 -7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.589 -2.721 -9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.097 -1.914 -9.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.955 -0.707 -10.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.003 0.149 -9.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 18.574 -0.337 -9.323 1.00 0.00 H new ATOM 496 N SER A 30 18.375 0.645 -3.049 1.00 0.00 N ATOM 497 CA SER A 30 19.091 0.640 -1.740 1.00 0.00 C ATOM 498 C SER A 30 18.067 0.632 -0.599 1.00 0.00 C ATOM 499 O SER A 30 18.398 0.394 0.541 1.00 0.00 O ATOM 500 CB SER A 30 19.966 1.889 -1.629 1.00 0.00 C ATOM 501 OG SER A 30 20.675 2.076 -2.847 1.00 0.00 O ATOM 0 H SER A 30 18.702 1.340 -3.720 1.00 0.00 H new ATOM 0 HA SER A 30 19.719 -0.249 -1.674 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.349 2.762 -1.417 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.666 1.784 -0.800 1.00 0.00 H new ATOM 0 HG SER A 30 21.236 2.877 -2.780 1.00 0.00 H new ATOM 507 N GLU A 31 16.819 0.874 -0.907 1.00 0.00 N ATOM 508 CA GLU A 31 15.762 0.869 0.152 1.00 0.00 C ATOM 509 C GLU A 31 15.027 -0.462 0.125 1.00 0.00 C ATOM 510 O GLU A 31 14.744 -1.039 1.147 1.00 0.00 O ATOM 511 CB GLU A 31 14.762 1.993 -0.109 1.00 0.00 C ATOM 512 CG GLU A 31 15.500 3.328 -0.213 1.00 0.00 C ATOM 513 CD GLU A 31 14.486 4.445 -0.458 1.00 0.00 C ATOM 514 OE1 GLU A 31 13.373 4.321 0.026 1.00 0.00 O ATOM 515 OE2 GLU A 31 14.839 5.404 -1.123 1.00 0.00 O ATOM 0 H GLU A 31 16.484 1.076 -1.849 1.00 0.00 H new ATOM 0 HA GLU A 31 16.231 1.016 1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.213 1.797 -1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.029 2.034 0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.058 3.521 0.703 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.225 3.294 -1.026 1.00 0.00 H new ATOM 522 N LEU A 32 14.711 -0.952 -1.033 1.00 0.00 N ATOM 523 CA LEU A 32 13.985 -2.247 -1.109 1.00 0.00 C ATOM 524 C LEU A 32 14.872 -3.352 -0.521 1.00 0.00 C ATOM 525 O LEU A 32 14.460 -4.091 0.350 1.00 0.00 O ATOM 526 CB LEU A 32 13.621 -2.534 -2.590 1.00 0.00 C ATOM 527 CG LEU A 32 12.141 -2.955 -2.734 1.00 0.00 C ATOM 528 CD1 LEU A 32 11.728 -2.928 -4.211 1.00 0.00 C ATOM 529 CD2 LEU A 32 11.958 -4.374 -2.191 1.00 0.00 C ATOM 0 H LEU A 32 14.922 -0.516 -1.930 1.00 0.00 H new ATOM 0 HA LEU A 32 13.061 -2.209 -0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.808 -1.644 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.265 -3.323 -2.979 1.00 0.00 H new ATOM 0 HG LEU A 32 11.519 -2.259 -2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.684 -3.226 -4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.853 -1.920 -4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.353 -3.619 -4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.914 -4.671 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.588 -5.063 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.242 -4.400 -1.139 1.00 0.00 H new ATOM 541 N LYS A 33 16.087 -3.458 -0.973 1.00 0.00 N ATOM 542 CA LYS A 33 16.997 -4.494 -0.430 1.00 0.00 C ATOM 543 C LYS A 33 17.298 -4.181 1.038 1.00 0.00 C ATOM 544 O LYS A 33 17.414 -5.066 1.862 1.00 0.00 O ATOM 545 CB LYS A 33 18.278 -4.442 -1.256 1.00 0.00 C ATOM 546 CG LYS A 33 19.152 -5.677 -1.002 1.00 0.00 C ATOM 547 CD LYS A 33 20.599 -5.370 -1.437 1.00 0.00 C ATOM 548 CE LYS A 33 21.385 -4.764 -0.269 1.00 0.00 C ATOM 549 NZ LYS A 33 22.796 -4.525 -0.690 1.00 0.00 N ATOM 0 H LYS A 33 16.490 -2.867 -1.700 1.00 0.00 H new ATOM 0 HA LYS A 33 16.550 -5.487 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.029 -4.381 -2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.837 -3.540 -1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 33 19.126 -5.945 0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.766 -6.532 -1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.086 -6.284 -1.777 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.594 -4.678 -2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.925 -3.828 0.046 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.359 -5.436 0.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.330 -4.114 0.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.232 -5.427 -0.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.811 -3.868 -1.496 1.00 0.00 H new ATOM 563 N GLU A 34 17.443 -2.926 1.364 1.00 0.00 N ATOM 564 CA GLU A 34 17.758 -2.563 2.781 1.00 0.00 C ATOM 565 C GLU A 34 16.489 -2.645 3.624 1.00 0.00 C ATOM 566 O GLU A 34 16.527 -2.997 4.786 1.00 0.00 O ATOM 567 CB GLU A 34 18.332 -1.145 2.844 1.00 0.00 C ATOM 568 CG GLU A 34 18.824 -0.837 4.263 1.00 0.00 C ATOM 569 CD GLU A 34 20.116 -1.610 4.536 1.00 0.00 C ATOM 570 OE1 GLU A 34 21.011 -1.538 3.711 1.00 0.00 O ATOM 571 OE2 GLU A 34 20.188 -2.257 5.568 1.00 0.00 O ATOM 0 H GLU A 34 17.359 -2.140 0.719 1.00 0.00 H new ATOM 0 HA GLU A 34 18.498 -3.261 3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.155 -1.046 2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.570 -0.423 2.550 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.998 0.233 4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.062 -1.114 4.991 1.00 0.00 H new ATOM 578 N LEU A 35 15.369 -2.329 3.052 1.00 0.00 N ATOM 579 CA LEU A 35 14.101 -2.392 3.820 1.00 0.00 C ATOM 580 C LEU A 35 13.708 -3.858 4.004 1.00 0.00 C ATOM 581 O LEU A 35 13.139 -4.241 5.007 1.00 0.00 O ATOM 582 CB LEU A 35 13.008 -1.649 3.046 1.00 0.00 C ATOM 583 CG LEU A 35 11.668 -1.748 3.786 1.00 0.00 C ATOM 584 CD1 LEU A 35 11.804 -1.213 5.219 1.00 0.00 C ATOM 585 CD2 LEU A 35 10.625 -0.923 3.028 1.00 0.00 C ATOM 0 H LEU A 35 15.275 -2.028 2.082 1.00 0.00 H new ATOM 0 HA LEU A 35 14.227 -1.925 4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.287 -0.602 2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.911 -2.071 2.046 1.00 0.00 H new ATOM 0 HG LEU A 35 11.360 -2.792 3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.844 -1.291 5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.549 -1.799 5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.115 -0.169 5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.667 -0.985 3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.946 0.118 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.518 -1.313 2.016 1.00 0.00 H new ATOM 597 N ILE A 36 14.020 -4.682 3.042 1.00 0.00 N ATOM 598 CA ILE A 36 13.681 -6.126 3.154 1.00 0.00 C ATOM 599 C ILE A 36 14.521 -6.730 4.279 1.00 0.00 C ATOM 600 O ILE A 36 14.079 -7.581 5.025 1.00 0.00 O ATOM 601 CB ILE A 36 13.985 -6.818 1.811 1.00 0.00 C ATOM 602 CG1 ILE A 36 12.855 -6.514 0.823 1.00 0.00 C ATOM 603 CG2 ILE A 36 14.095 -8.339 1.991 1.00 0.00 C ATOM 604 CD1 ILE A 36 13.294 -6.893 -0.594 1.00 0.00 C ATOM 0 H ILE A 36 14.497 -4.415 2.181 1.00 0.00 H new ATOM 0 HA ILE A 36 12.624 -6.263 3.382 1.00 0.00 H new ATOM 0 HB ILE A 36 14.935 -6.441 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.959 -7.070 1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.598 -5.456 0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 36 14.310 -8.805 1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.899 -8.565 2.691 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.154 -8.728 2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.488 -6.676 -1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.178 -6.317 -0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 36 13.529 -7.957 -0.630 1.00 0.00 H new ATOM 616 N ASN A 37 15.738 -6.291 4.389 1.00 0.00 N ATOM 617 CA ASN A 37 16.649 -6.818 5.444 1.00 0.00 C ATOM 618 C ASN A 37 16.344 -6.190 6.816 1.00 0.00 C ATOM 619 O ASN A 37 16.725 -6.724 7.838 1.00 0.00 O ATOM 620 CB ASN A 37 18.092 -6.489 5.053 1.00 0.00 C ATOM 621 CG ASN A 37 19.043 -6.926 6.168 1.00 0.00 C ATOM 622 OD1 ASN A 37 18.734 -7.957 6.905 1.00 0.00 O flip ATOM 623 ND2 ASN A 37 20.078 -6.323 6.371 1.00 0.00 N flip ATOM 0 H ASN A 37 16.150 -5.579 3.786 1.00 0.00 H new ATOM 0 HA ASN A 37 16.502 -7.895 5.524 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.351 -6.995 4.123 1.00 0.00 H new ATOM 0 HB3 ASN A 37 18.195 -5.419 4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 37 20.320 -5.517 5.795 1.00 0.00 H new ATOM 0 HD22 ASN A 37 20.705 -6.623 7.118 1.00 0.00 H new ATOM 630 N ASN A 38 15.719 -5.036 6.856 1.00 0.00 N ATOM 631 CA ASN A 38 15.470 -4.367 8.181 1.00 0.00 C ATOM 632 C ASN A 38 14.087 -4.693 8.781 1.00 0.00 C ATOM 633 O ASN A 38 13.979 -4.926 9.968 1.00 0.00 O ATOM 634 CB ASN A 38 15.579 -2.851 7.987 1.00 0.00 C ATOM 635 CG ASN A 38 15.788 -2.168 9.340 1.00 0.00 C ATOM 636 OD1 ASN A 38 14.918 -2.192 10.187 1.00 0.00 O ATOM 637 ND2 ASN A 38 16.916 -1.557 9.579 1.00 0.00 N ATOM 0 H ASN A 38 15.373 -4.531 6.040 1.00 0.00 H new ATOM 0 HA ASN A 38 16.217 -4.744 8.880 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.410 -2.619 7.320 1.00 0.00 H new ATOM 0 HB3 ASN A 38 14.674 -2.470 7.513 1.00 0.00 H new ATOM 0 HD21 ASN A 38 17.068 -1.099 10.478 1.00 0.00 H new ATOM 0 HD22 ASN A 38 17.646 -1.537 8.867 1.00 0.00 H new ATOM 644 N GLU A 39 13.034 -4.685 8.000 1.00 0.00 N ATOM 645 CA GLU A 39 11.662 -4.964 8.564 1.00 0.00 C ATOM 646 C GLU A 39 11.044 -6.182 7.880 1.00 0.00 C ATOM 647 O GLU A 39 10.588 -7.103 8.527 1.00 0.00 O ATOM 648 CB GLU A 39 10.774 -3.744 8.321 1.00 0.00 C ATOM 649 CG GLU A 39 11.396 -2.527 9.006 1.00 0.00 C ATOM 650 CD GLU A 39 10.475 -1.318 8.839 1.00 0.00 C ATOM 651 OE1 GLU A 39 9.739 -1.290 7.867 1.00 0.00 O ATOM 652 OE2 GLU A 39 10.520 -0.442 9.686 1.00 0.00 O ATOM 0 H GLU A 39 13.058 -4.498 6.997 1.00 0.00 H new ATOM 0 HA GLU A 39 11.745 -5.166 9.632 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.671 -3.561 7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.773 -3.924 8.712 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.553 -2.734 10.065 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.374 -2.314 8.574 1.00 0.00 H new ATOM 659 N LEU A 40 11.028 -6.201 6.578 1.00 0.00 N ATOM 660 CA LEU A 40 10.442 -7.374 5.867 1.00 0.00 C ATOM 661 C LEU A 40 11.480 -8.498 5.881 1.00 0.00 C ATOM 662 O LEU A 40 11.427 -9.421 5.097 1.00 0.00 O ATOM 663 CB LEU A 40 10.033 -6.997 4.415 1.00 0.00 C ATOM 664 CG LEU A 40 10.014 -5.468 4.214 1.00 0.00 C ATOM 665 CD1 LEU A 40 9.730 -5.165 2.741 1.00 0.00 C ATOM 666 CD2 LEU A 40 8.921 -4.823 5.087 1.00 0.00 C ATOM 0 H LEU A 40 11.392 -5.462 5.977 1.00 0.00 H new ATOM 0 HA LEU A 40 9.534 -7.705 6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.730 -7.449 3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.047 -7.407 4.195 1.00 0.00 H new ATOM 0 HG LEU A 40 10.981 -5.058 4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.714 -4.086 2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.510 -5.608 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.763 -5.585 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.922 -3.744 4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.948 -5.228 4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.119 -5.040 6.137 1.00 0.00 H new ATOM 678 N SER A 41 12.412 -8.436 6.799 1.00 0.00 N ATOM 679 CA SER A 41 13.438 -9.508 6.893 1.00 0.00 C ATOM 680 C SER A 41 12.817 -10.703 7.622 1.00 0.00 C ATOM 681 O SER A 41 13.307 -11.812 7.548 1.00 0.00 O ATOM 682 CB SER A 41 14.652 -8.982 7.677 1.00 0.00 C ATOM 683 OG SER A 41 14.642 -9.516 8.996 1.00 0.00 O ATOM 0 H SER A 41 12.503 -7.687 7.486 1.00 0.00 H new ATOM 0 HA SER A 41 13.768 -9.812 5.900 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.574 -9.262 7.168 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.628 -7.893 7.715 1.00 0.00 H new ATOM 0 HG SER A 41 13.785 -9.313 9.425 1.00 0.00 H new ATOM 689 N HIS A 42 11.729 -10.481 8.316 1.00 0.00 N ATOM 690 CA HIS A 42 11.052 -11.596 9.041 1.00 0.00 C ATOM 691 C HIS A 42 10.035 -12.238 8.100 1.00 0.00 C ATOM 692 O HIS A 42 9.670 -13.387 8.247 1.00 0.00 O ATOM 693 CB HIS A 42 10.322 -11.046 10.268 1.00 0.00 C ATOM 694 CG HIS A 42 11.314 -10.700 11.345 1.00 0.00 C ATOM 695 ND1 HIS A 42 12.611 -10.293 11.059 1.00 0.00 N ATOM 696 CD2 HIS A 42 11.211 -10.690 12.715 1.00 0.00 C ATOM 697 CE1 HIS A 42 13.230 -10.057 12.231 1.00 0.00 C ATOM 698 NE2 HIS A 42 12.420 -10.284 13.267 1.00 0.00 N ATOM 0 H HIS A 42 11.280 -9.570 8.411 1.00 0.00 H new ATOM 0 HA HIS A 42 11.790 -12.331 9.362 1.00 0.00 H new ATOM 0 HB2 HIS A 42 9.748 -10.161 9.993 1.00 0.00 H new ATOM 0 HB3 HIS A 42 9.612 -11.784 10.640 1.00 0.00 H new ATOM 0 HD2 HIS A 42 10.327 -10.956 13.276 1.00 0.00 H new ATOM 0 HE1 HIS A 42 14.254 -9.725 12.321 1.00 0.00 H new ATOM 0 HE2 HIS A 42 12.642 -10.181 14.257 1.00 0.00 H new ATOM 707 N PHE A 43 9.586 -11.496 7.122 1.00 0.00 N ATOM 708 CA PHE A 43 8.599 -12.038 6.142 1.00 0.00 C ATOM 709 C PHE A 43 9.354 -12.379 4.861 1.00 0.00 C ATOM 710 O PHE A 43 9.323 -13.499 4.390 1.00 0.00 O ATOM 711 CB PHE A 43 7.538 -10.972 5.841 1.00 0.00 C ATOM 712 CG PHE A 43 6.541 -10.912 6.977 1.00 0.00 C ATOM 713 CD1 PHE A 43 5.594 -11.932 7.128 1.00 0.00 C ATOM 714 CD2 PHE A 43 6.562 -9.839 7.877 1.00 0.00 C ATOM 715 CE1 PHE A 43 4.670 -11.879 8.178 1.00 0.00 C ATOM 716 CE2 PHE A 43 5.639 -9.787 8.926 1.00 0.00 C ATOM 717 CZ PHE A 43 4.693 -10.806 9.077 1.00 0.00 C ATOM 0 H PHE A 43 9.864 -10.528 6.959 1.00 0.00 H new ATOM 0 HA PHE A 43 8.106 -12.923 6.544 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.012 -10.000 5.709 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.027 -11.207 4.907 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.576 -12.760 6.434 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.292 -9.051 7.761 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.939 -12.666 8.295 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.657 -8.960 9.620 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.980 -10.765 9.887 1.00 0.00 H new ATOM 727 N LEU A 44 10.058 -11.426 4.303 1.00 0.00 N ATOM 728 CA LEU A 44 10.841 -11.709 3.067 1.00 0.00 C ATOM 729 C LEU A 44 12.249 -12.145 3.480 1.00 0.00 C ATOM 730 O LEU A 44 12.893 -11.503 4.286 1.00 0.00 O ATOM 731 CB LEU A 44 10.928 -10.446 2.189 1.00 0.00 C ATOM 732 CG LEU A 44 9.694 -10.333 1.279 1.00 0.00 C ATOM 733 CD1 LEU A 44 9.680 -11.463 0.225 1.00 0.00 C ATOM 734 CD2 LEU A 44 8.426 -10.397 2.137 1.00 0.00 C ATOM 0 H LEU A 44 10.123 -10.469 4.650 1.00 0.00 H new ATOM 0 HA LEU A 44 10.352 -12.496 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.002 -9.561 2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.832 -10.480 1.582 1.00 0.00 H new ATOM 0 HG LEU A 44 9.732 -9.381 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.797 -11.361 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.577 -11.397 -0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.656 -12.430 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.548 -10.317 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.398 -11.345 2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.429 -9.574 2.852 1.00 0.00 H new ATOM 746 N GLU A 45 12.737 -13.226 2.939 1.00 0.00 N ATOM 747 CA GLU A 45 14.103 -13.681 3.312 1.00 0.00 C ATOM 748 C GLU A 45 15.098 -12.567 2.986 1.00 0.00 C ATOM 749 O GLU A 45 14.891 -11.790 2.076 1.00 0.00 O ATOM 750 CB GLU A 45 14.460 -14.943 2.522 1.00 0.00 C ATOM 751 CG GLU A 45 15.756 -15.542 3.072 1.00 0.00 C ATOM 752 CD GLU A 45 16.197 -16.707 2.184 1.00 0.00 C ATOM 753 OE1 GLU A 45 16.447 -16.474 1.014 1.00 0.00 O ATOM 754 OE2 GLU A 45 16.276 -17.815 2.691 1.00 0.00 O ATOM 0 H GLU A 45 12.252 -13.811 2.259 1.00 0.00 H new ATOM 0 HA GLU A 45 14.140 -13.910 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.652 -15.671 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.578 -14.702 1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.536 -14.781 3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.604 -15.888 4.095 1.00 0.00 H new ATOM 761 N GLU A 46 16.175 -12.478 3.716 1.00 0.00 N ATOM 762 CA GLU A 46 17.168 -11.405 3.429 1.00 0.00 C ATOM 763 C GLU A 46 17.824 -11.684 2.077 1.00 0.00 C ATOM 764 O GLU A 46 18.726 -12.492 1.967 1.00 0.00 O ATOM 765 CB GLU A 46 18.237 -11.383 4.526 1.00 0.00 C ATOM 766 CG GLU A 46 19.079 -10.113 4.390 1.00 0.00 C ATOM 767 CD GLU A 46 20.349 -10.247 5.231 1.00 0.00 C ATOM 768 OE1 GLU A 46 20.303 -9.904 6.402 1.00 0.00 O ATOM 769 OE2 GLU A 46 21.349 -10.690 4.689 1.00 0.00 O ATOM 0 H GLU A 46 16.410 -13.096 4.493 1.00 0.00 H new ATOM 0 HA GLU A 46 16.666 -10.438 3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.766 -11.417 5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.873 -12.265 4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.339 -9.947 3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.504 -9.247 4.717 1.00 0.00 H new ATOM 776 N ILE A 47 17.376 -11.028 1.042 1.00 0.00 N ATOM 777 CA ILE A 47 17.976 -11.269 -0.295 1.00 0.00 C ATOM 778 C ILE A 47 19.441 -10.821 -0.286 1.00 0.00 C ATOM 779 O ILE A 47 19.791 -9.814 0.297 1.00 0.00 O ATOM 780 CB ILE A 47 17.191 -10.501 -1.372 1.00 0.00 C ATOM 781 CG1 ILE A 47 17.191 -8.998 -1.077 1.00 0.00 C ATOM 782 CG2 ILE A 47 15.743 -10.992 -1.398 1.00 0.00 C ATOM 783 CD1 ILE A 47 16.575 -8.254 -2.266 1.00 0.00 C ATOM 0 H ILE A 47 16.624 -10.339 1.066 1.00 0.00 H new ATOM 0 HA ILE A 47 17.929 -12.333 -0.525 1.00 0.00 H new ATOM 0 HB ILE A 47 17.671 -10.678 -2.335 1.00 0.00 H new ATOM 0 HG12 ILE A 47 16.623 -8.793 -0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.209 -8.649 -0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.188 -10.447 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.724 -12.058 -1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 47 15.284 -10.822 -0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.572 -7.183 -2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 47 17.162 -8.452 -3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.552 -8.597 -2.420 1.00 0.00 H new ATOM 795 N LYS A 48 20.299 -11.568 -0.931 1.00 0.00 N ATOM 796 CA LYS A 48 21.749 -11.203 -0.981 1.00 0.00 C ATOM 797 C LYS A 48 22.065 -10.683 -2.382 1.00 0.00 C ATOM 798 O LYS A 48 23.088 -10.072 -2.620 1.00 0.00 O ATOM 799 CB LYS A 48 22.599 -12.447 -0.694 1.00 0.00 C ATOM 800 CG LYS A 48 22.195 -13.048 0.658 1.00 0.00 C ATOM 801 CD LYS A 48 22.735 -14.477 0.764 1.00 0.00 C ATOM 802 CE LYS A 48 22.669 -14.941 2.220 1.00 0.00 C ATOM 803 NZ LYS A 48 23.649 -14.167 3.033 1.00 0.00 N ATOM 0 H LYS A 48 20.056 -12.424 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 48 21.972 -10.439 -0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.462 -13.183 -1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.656 -12.183 -0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.588 -12.438 1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.110 -13.050 0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.151 -15.146 0.131 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.763 -14.516 0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.662 -14.799 2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.889 -16.007 2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 23.946 -14.735 3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 24.480 -13.939 2.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.206 -13.286 3.365 1.00 0.00 H new ATOM 817 N GLU A 49 21.176 -10.932 -3.311 1.00 0.00 N ATOM 818 CA GLU A 49 21.374 -10.476 -4.722 1.00 0.00 C ATOM 819 C GLU A 49 20.196 -9.591 -5.131 1.00 0.00 C ATOM 820 O GLU A 49 19.054 -9.898 -4.856 1.00 0.00 O ATOM 821 CB GLU A 49 21.430 -11.694 -5.649 1.00 0.00 C ATOM 822 CG GLU A 49 22.701 -12.499 -5.371 1.00 0.00 C ATOM 823 CD GLU A 49 22.693 -13.775 -6.215 1.00 0.00 C ATOM 824 OE1 GLU A 49 21.650 -14.403 -6.295 1.00 0.00 O ATOM 825 OE2 GLU A 49 23.729 -14.103 -6.769 1.00 0.00 O ATOM 0 H GLU A 49 20.307 -11.441 -3.148 1.00 0.00 H new ATOM 0 HA GLU A 49 22.306 -9.915 -4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.551 -12.320 -5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.413 -11.371 -6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 49 23.581 -11.901 -5.606 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.760 -12.751 -4.312 1.00 0.00 H new ATOM 832 N GLN A 50 20.461 -8.496 -5.784 1.00 0.00 N ATOM 833 CA GLN A 50 19.353 -7.595 -6.207 1.00 0.00 C ATOM 834 C GLN A 50 18.548 -8.259 -7.328 1.00 0.00 C ATOM 835 O GLN A 50 17.447 -7.856 -7.639 1.00 0.00 O ATOM 836 CB GLN A 50 19.937 -6.277 -6.726 1.00 0.00 C ATOM 837 CG GLN A 50 20.687 -5.563 -5.598 1.00 0.00 C ATOM 838 CD GLN A 50 20.974 -4.118 -6.014 1.00 0.00 C ATOM 839 OE1 GLN A 50 21.008 -3.231 -5.185 1.00 0.00 O ATOM 840 NE2 GLN A 50 21.180 -3.841 -7.273 1.00 0.00 N ATOM 0 H GLN A 50 21.397 -8.185 -6.044 1.00 0.00 H new ATOM 0 HA GLN A 50 18.703 -7.402 -5.354 1.00 0.00 H new ATOM 0 HB2 GLN A 50 20.613 -6.471 -7.559 1.00 0.00 H new ATOM 0 HB3 GLN A 50 19.139 -5.639 -7.105 1.00 0.00 H new ATOM 0 HG2 GLN A 50 20.093 -5.579 -4.684 1.00 0.00 H new ATOM 0 HG3 GLN A 50 21.620 -6.083 -5.381 1.00 0.00 H new ATOM 0 HE21 GLN A 50 21.152 -4.585 -7.970 1.00 0.00 H new ATOM 0 HE22 GLN A 50 21.369 -2.881 -7.560 1.00 0.00 H new ATOM 849 N GLU A 51 19.098 -9.258 -7.956 1.00 0.00 N ATOM 850 CA GLU A 51 18.378 -9.922 -9.073 1.00 0.00 C ATOM 851 C GLU A 51 16.936 -10.224 -8.691 1.00 0.00 C ATOM 852 O GLU A 51 16.040 -10.112 -9.504 1.00 0.00 O ATOM 853 CB GLU A 51 19.097 -11.216 -9.454 1.00 0.00 C ATOM 854 CG GLU A 51 20.398 -10.882 -10.186 1.00 0.00 C ATOM 855 CD GLU A 51 21.071 -12.175 -10.647 1.00 0.00 C ATOM 856 OE1 GLU A 51 20.356 -13.097 -11.006 1.00 0.00 O ATOM 857 OE2 GLU A 51 22.291 -12.225 -10.635 1.00 0.00 O ATOM 0 H GLU A 51 20.018 -9.644 -7.743 1.00 0.00 H new ATOM 0 HA GLU A 51 18.369 -9.244 -9.927 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.311 -11.802 -8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.456 -11.827 -10.090 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.191 -10.242 -11.043 1.00 0.00 H new ATOM 0 HG3 GLU A 51 21.066 -10.327 -9.527 1.00 0.00 H new ATOM 864 N VAL A 52 16.680 -10.580 -7.471 1.00 0.00 N ATOM 865 CA VAL A 52 15.271 -10.849 -7.085 1.00 0.00 C ATOM 866 C VAL A 52 14.589 -9.513 -6.890 1.00 0.00 C ATOM 867 O VAL A 52 13.445 -9.326 -7.253 1.00 0.00 O ATOM 868 CB VAL A 52 15.216 -11.682 -5.798 1.00 0.00 C ATOM 869 CG1 VAL A 52 15.458 -13.156 -6.131 1.00 0.00 C ATOM 870 CG2 VAL A 52 16.297 -11.206 -4.825 1.00 0.00 C ATOM 0 H VAL A 52 17.373 -10.696 -6.731 1.00 0.00 H new ATOM 0 HA VAL A 52 14.764 -11.421 -7.862 1.00 0.00 H new ATOM 0 HB VAL A 52 14.234 -11.563 -5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 52 15.419 -13.747 -5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.689 -13.504 -6.821 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.439 -13.268 -6.594 1.00 0.00 H new ATOM 0 HG21 VAL A 52 16.253 -11.801 -3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 52 17.278 -11.321 -5.286 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.131 -10.157 -4.582 1.00 0.00 H new ATOM 880 N VAL A 53 15.288 -8.570 -6.346 1.00 0.00 N ATOM 881 CA VAL A 53 14.682 -7.237 -6.163 1.00 0.00 C ATOM 882 C VAL A 53 14.421 -6.682 -7.561 1.00 0.00 C ATOM 883 O VAL A 53 13.561 -5.853 -7.770 1.00 0.00 O ATOM 884 CB VAL A 53 15.643 -6.349 -5.318 1.00 0.00 C ATOM 885 CG1 VAL A 53 16.338 -5.274 -6.169 1.00 0.00 C ATOM 886 CG2 VAL A 53 14.870 -5.651 -4.196 1.00 0.00 C ATOM 0 H VAL A 53 16.250 -8.664 -6.021 1.00 0.00 H new ATOM 0 HA VAL A 53 13.740 -7.270 -5.616 1.00 0.00 H new ATOM 0 HB VAL A 53 16.403 -7.013 -4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 53 16.998 -4.680 -5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.923 -5.753 -6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.587 -4.626 -6.620 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.553 -5.034 -3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.091 -5.022 -4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.414 -6.400 -3.548 1.00 0.00 H new ATOM 896 N ASP A 54 15.154 -7.163 -8.527 1.00 0.00 N ATOM 897 CA ASP A 54 14.939 -6.693 -9.919 1.00 0.00 C ATOM 898 C ASP A 54 13.698 -7.397 -10.464 1.00 0.00 C ATOM 899 O ASP A 54 12.923 -6.831 -11.208 1.00 0.00 O ATOM 900 CB ASP A 54 16.154 -7.045 -10.780 1.00 0.00 C ATOM 901 CG ASP A 54 17.354 -6.211 -10.334 1.00 0.00 C ATOM 902 OD1 ASP A 54 17.138 -5.134 -9.803 1.00 0.00 O ATOM 903 OD2 ASP A 54 18.470 -6.661 -10.533 1.00 0.00 O ATOM 0 H ASP A 54 15.890 -7.859 -8.410 1.00 0.00 H new ATOM 0 HA ASP A 54 14.803 -5.612 -9.938 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.382 -8.107 -10.689 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.936 -6.855 -11.831 1.00 0.00 H new ATOM 908 N LYS A 55 13.504 -8.632 -10.082 1.00 0.00 N ATOM 909 CA LYS A 55 12.306 -9.381 -10.562 1.00 0.00 C ATOM 910 C LYS A 55 11.070 -8.850 -9.817 1.00 0.00 C ATOM 911 O LYS A 55 10.091 -8.469 -10.427 1.00 0.00 O ATOM 912 CB LYS A 55 12.543 -10.908 -10.339 1.00 0.00 C ATOM 913 CG LYS A 55 11.352 -11.631 -9.665 1.00 0.00 C ATOM 914 CD LYS A 55 10.125 -11.641 -10.596 1.00 0.00 C ATOM 915 CE LYS A 55 8.840 -11.769 -9.770 1.00 0.00 C ATOM 916 NZ LYS A 55 9.046 -12.762 -8.680 1.00 0.00 N ATOM 0 H LYS A 55 14.122 -9.153 -9.460 1.00 0.00 H new ATOM 0 HA LYS A 55 12.136 -9.234 -11.629 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.745 -11.379 -11.301 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.433 -11.042 -9.724 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.635 -12.654 -9.416 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.100 -11.133 -8.729 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.098 -10.725 -11.185 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.199 -12.470 -11.299 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.569 -10.801 -9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.014 -12.081 -10.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.127 -13.152 -8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.656 -13.532 -9.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.499 -12.297 -7.867 1.00 0.00 H new ATOM 930 N VAL A 56 11.099 -8.816 -8.512 1.00 0.00 N ATOM 931 CA VAL A 56 9.915 -8.305 -7.766 1.00 0.00 C ATOM 932 C VAL A 56 9.580 -6.915 -8.306 1.00 0.00 C ATOM 933 O VAL A 56 8.432 -6.565 -8.495 1.00 0.00 O ATOM 934 CB VAL A 56 10.242 -8.268 -6.259 1.00 0.00 C ATOM 935 CG1 VAL A 56 10.999 -6.987 -5.892 1.00 0.00 C ATOM 936 CG2 VAL A 56 8.949 -8.339 -5.439 1.00 0.00 C ATOM 0 H VAL A 56 11.884 -9.117 -7.935 1.00 0.00 H new ATOM 0 HA VAL A 56 9.050 -8.954 -7.901 1.00 0.00 H new ATOM 0 HB VAL A 56 10.873 -9.128 -6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.217 -6.987 -4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.933 -6.943 -6.453 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.387 -6.119 -6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.190 -8.312 -4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.313 -7.490 -5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.423 -9.266 -5.668 1.00 0.00 H new ATOM 946 N MET A 57 10.585 -6.134 -8.574 1.00 0.00 N ATOM 947 CA MET A 57 10.346 -4.779 -9.128 1.00 0.00 C ATOM 948 C MET A 57 9.729 -4.921 -10.521 1.00 0.00 C ATOM 949 O MET A 57 8.943 -4.101 -10.954 1.00 0.00 O ATOM 950 CB MET A 57 11.680 -4.034 -9.220 1.00 0.00 C ATOM 951 CG MET A 57 12.152 -3.633 -7.814 1.00 0.00 C ATOM 952 SD MET A 57 11.401 -2.047 -7.360 1.00 0.00 S ATOM 953 CE MET A 57 12.883 -1.022 -7.526 1.00 0.00 C ATOM 0 H MET A 57 11.565 -6.378 -8.432 1.00 0.00 H new ATOM 0 HA MET A 57 9.668 -4.219 -8.485 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.428 -4.667 -9.698 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.569 -3.146 -9.843 1.00 0.00 H new ATOM 0 HG2 MET A 57 11.874 -4.400 -7.092 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.239 -3.554 -7.792 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.595 0.027 -7.587 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.528 -1.171 -6.660 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.421 -1.304 -8.431 1.00 0.00 H new ATOM 963 N GLU A 58 10.072 -5.967 -11.221 1.00 0.00 N ATOM 964 CA GLU A 58 9.501 -6.179 -12.581 1.00 0.00 C ATOM 965 C GLU A 58 7.996 -6.389 -12.462 1.00 0.00 C ATOM 966 O GLU A 58 7.225 -5.921 -13.276 1.00 0.00 O ATOM 967 CB GLU A 58 10.139 -7.419 -13.215 1.00 0.00 C ATOM 968 CG GLU A 58 9.881 -7.417 -14.723 1.00 0.00 C ATOM 969 CD GLU A 58 10.598 -8.606 -15.368 1.00 0.00 C ATOM 970 OE1 GLU A 58 10.360 -9.721 -14.936 1.00 0.00 O ATOM 971 OE2 GLU A 58 11.375 -8.379 -16.282 1.00 0.00 O ATOM 0 H GLU A 58 10.725 -6.686 -10.909 1.00 0.00 H new ATOM 0 HA GLU A 58 9.704 -5.309 -13.205 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.211 -7.428 -13.020 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.725 -8.322 -12.767 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.810 -7.475 -14.919 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.235 -6.484 -15.162 1.00 0.00 H new ATOM 978 N THR A 59 7.573 -7.091 -11.452 1.00 0.00 N ATOM 979 CA THR A 59 6.120 -7.335 -11.278 1.00 0.00 C ATOM 980 C THR A 59 5.467 -6.101 -10.671 1.00 0.00 C ATOM 981 O THR A 59 4.309 -5.822 -10.910 1.00 0.00 O ATOM 982 CB THR A 59 5.897 -8.523 -10.346 1.00 0.00 C ATOM 983 OG1 THR A 59 6.449 -9.694 -10.934 1.00 0.00 O ATOM 984 CG2 THR A 59 4.396 -8.713 -10.128 1.00 0.00 C ATOM 0 H THR A 59 8.172 -7.507 -10.739 1.00 0.00 H new ATOM 0 HA THR A 59 5.679 -7.550 -12.251 1.00 0.00 H new ATOM 0 HB THR A 59 6.383 -8.339 -9.388 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.308 -10.458 -10.336 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.229 -9.560 -9.463 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.976 -7.812 -9.680 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.910 -8.902 -11.085 1.00 0.00 H new ATOM 992 N LEU A 60 6.189 -5.364 -9.868 1.00 0.00 N ATOM 993 CA LEU A 60 5.581 -4.154 -9.229 1.00 0.00 C ATOM 994 C LEU A 60 5.804 -2.910 -10.095 1.00 0.00 C ATOM 995 O LEU A 60 4.907 -2.108 -10.263 1.00 0.00 O ATOM 996 CB LEU A 60 6.211 -3.929 -7.842 1.00 0.00 C ATOM 997 CG LEU A 60 5.425 -4.675 -6.755 1.00 0.00 C ATOM 998 CD1 LEU A 60 3.988 -4.111 -6.624 1.00 0.00 C ATOM 999 CD2 LEU A 60 5.379 -6.170 -7.091 1.00 0.00 C ATOM 0 H LEU A 60 7.164 -5.543 -9.627 1.00 0.00 H new ATOM 0 HA LEU A 60 4.509 -4.321 -9.127 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.246 -4.272 -7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.230 -2.863 -7.616 1.00 0.00 H new ATOM 0 HG LEU A 60 5.930 -4.533 -5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.452 -4.657 -5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.034 -3.055 -6.359 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.465 -4.224 -7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.821 -6.699 -6.319 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.889 -6.311 -8.054 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.394 -6.564 -7.139 1.00 0.00 H new ATOM 1011 N ASP A 61 6.973 -2.718 -10.638 1.00 0.00 N ATOM 1012 CA ASP A 61 7.201 -1.501 -11.469 1.00 0.00 C ATOM 1013 C ASP A 61 6.184 -1.423 -12.598 1.00 0.00 C ATOM 1014 O ASP A 61 6.232 -2.166 -13.559 1.00 0.00 O ATOM 1015 CB ASP A 61 8.609 -1.527 -12.049 1.00 0.00 C ATOM 1016 CG ASP A 61 9.631 -1.579 -10.911 1.00 0.00 C ATOM 1017 OD1 ASP A 61 9.222 -1.815 -9.788 1.00 0.00 O ATOM 1018 OD2 ASP A 61 10.803 -1.380 -11.184 1.00 0.00 O ATOM 0 H ASP A 61 7.774 -3.343 -10.545 1.00 0.00 H new ATOM 0 HA ASP A 61 7.085 -0.623 -10.834 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.729 -2.393 -12.700 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.777 -0.642 -12.662 1.00 0.00 H new ATOM 1023 N GLU A 62 5.272 -0.502 -12.483 1.00 0.00 N ATOM 1024 CA GLU A 62 4.238 -0.326 -13.539 1.00 0.00 C ATOM 1025 C GLU A 62 4.808 0.600 -14.600 1.00 0.00 C ATOM 1026 O GLU A 62 4.689 0.358 -15.785 1.00 0.00 O ATOM 1027 CB GLU A 62 2.972 0.286 -12.934 1.00 0.00 C ATOM 1028 CG GLU A 62 2.177 -0.797 -12.196 1.00 0.00 C ATOM 1029 CD GLU A 62 1.437 -1.673 -13.211 1.00 0.00 C ATOM 1030 OE1 GLU A 62 0.428 -1.222 -13.729 1.00 0.00 O ATOM 1031 OE2 GLU A 62 1.890 -2.780 -13.451 1.00 0.00 O ATOM 0 H GLU A 62 5.197 0.143 -11.696 1.00 0.00 H new ATOM 0 HA GLU A 62 3.976 -1.289 -13.978 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.237 1.089 -12.246 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.359 0.729 -13.719 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.849 -1.409 -11.594 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.465 -0.336 -11.511 1.00 0.00 H new ATOM 1038 N ASP A 63 5.456 1.644 -14.180 1.00 0.00 N ATOM 1039 CA ASP A 63 6.070 2.568 -15.160 1.00 0.00 C ATOM 1040 C ASP A 63 7.378 1.941 -15.630 1.00 0.00 C ATOM 1041 O ASP A 63 8.074 2.483 -16.466 1.00 0.00 O ATOM 1042 CB ASP A 63 6.359 3.912 -14.487 1.00 0.00 C ATOM 1043 CG ASP A 63 7.159 3.679 -13.204 1.00 0.00 C ATOM 1044 OD1 ASP A 63 7.397 2.526 -12.879 1.00 0.00 O ATOM 1045 OD2 ASP A 63 7.521 4.655 -12.570 1.00 0.00 O ATOM 0 H ASP A 63 5.586 1.896 -13.200 1.00 0.00 H new ATOM 0 HA ASP A 63 5.399 2.735 -16.003 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.918 4.557 -15.165 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.425 4.424 -14.258 1.00 0.00 H new ATOM 1050 N GLY A 64 7.726 0.796 -15.089 1.00 0.00 N ATOM 1051 CA GLY A 64 9.000 0.149 -15.507 1.00 0.00 C ATOM 1052 C GLY A 64 10.123 1.154 -15.294 1.00 0.00 C ATOM 1053 O GLY A 64 10.985 1.334 -16.132 1.00 0.00 O ATOM 0 H GLY A 64 7.187 0.291 -14.385 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.179 -0.754 -14.923 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.950 -0.152 -16.553 1.00 0.00 H new ATOM 1057 N ASP A 65 10.103 1.829 -14.176 1.00 0.00 N ATOM 1058 CA ASP A 65 11.149 2.855 -13.893 1.00 0.00 C ATOM 1059 C ASP A 65 12.264 2.244 -13.050 1.00 0.00 C ATOM 1060 O ASP A 65 13.258 2.883 -12.768 1.00 0.00 O ATOM 1061 CB ASP A 65 10.515 4.007 -13.115 1.00 0.00 C ATOM 1062 CG ASP A 65 9.797 3.450 -11.885 1.00 0.00 C ATOM 1063 OD1 ASP A 65 9.684 2.239 -11.788 1.00 0.00 O ATOM 1064 OD2 ASP A 65 9.372 4.243 -11.061 1.00 0.00 O ATOM 0 H ASP A 65 9.404 1.713 -13.443 1.00 0.00 H new ATOM 0 HA ASP A 65 11.564 3.215 -14.834 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.281 4.721 -12.811 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.811 4.545 -13.749 1.00 0.00 H new ATOM 1069 N GLY A 66 12.107 1.025 -12.624 1.00 0.00 N ATOM 1070 CA GLY A 66 13.170 0.411 -11.781 1.00 0.00 C ATOM 1071 C GLY A 66 13.111 1.062 -10.402 1.00 0.00 C ATOM 1072 O GLY A 66 13.846 0.719 -9.500 1.00 0.00 O ATOM 0 H GLY A 66 11.300 0.432 -12.819 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.019 -0.666 -11.701 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.150 0.563 -12.233 1.00 0.00 H new ATOM 1076 N GLU A 67 12.213 1.998 -10.243 1.00 0.00 N ATOM 1077 CA GLU A 67 12.036 2.699 -8.937 1.00 0.00 C ATOM 1078 C GLU A 67 10.585 2.501 -8.512 1.00 0.00 C ATOM 1079 O GLU A 67 9.747 2.172 -9.327 1.00 0.00 O ATOM 1080 CB GLU A 67 12.322 4.193 -9.106 1.00 0.00 C ATOM 1081 CG GLU A 67 13.829 4.415 -9.249 1.00 0.00 C ATOM 1082 CD GLU A 67 14.116 5.915 -9.331 1.00 0.00 C ATOM 1083 OE1 GLU A 67 14.063 6.448 -10.427 1.00 0.00 O ATOM 1084 OE2 GLU A 67 14.380 6.507 -8.297 1.00 0.00 O ATOM 0 H GLU A 67 11.581 2.313 -10.979 1.00 0.00 H new ATOM 0 HA GLU A 67 12.720 2.300 -8.188 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.803 4.576 -9.985 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.943 4.746 -8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.354 3.979 -8.399 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.198 3.913 -10.143 1.00 0.00 H new ATOM 1091 N CYS A 68 10.277 2.672 -7.251 1.00 0.00 N ATOM 1092 CA CYS A 68 8.866 2.460 -6.786 1.00 0.00 C ATOM 1093 C CYS A 68 8.347 3.687 -6.038 1.00 0.00 C ATOM 1094 O CYS A 68 8.593 3.855 -4.859 1.00 0.00 O ATOM 1095 CB CYS A 68 8.827 1.247 -5.855 1.00 0.00 C ATOM 1096 SG CYS A 68 8.974 -0.270 -6.831 1.00 0.00 S ATOM 0 H CYS A 68 10.936 2.948 -6.524 1.00 0.00 H new ATOM 0 HA CYS A 68 8.231 2.293 -7.656 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.639 1.306 -5.130 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.895 1.239 -5.290 1.00 0.00 H new ATOM 0 HG CYS A 68 10.216 -0.652 -6.855 1.00 0.00 H new ATOM 1102 N ASP A 69 7.632 4.546 -6.721 1.00 0.00 N ATOM 1103 CA ASP A 69 7.081 5.763 -6.060 1.00 0.00 C ATOM 1104 C ASP A 69 6.311 5.337 -4.800 1.00 0.00 C ATOM 1105 O ASP A 69 6.383 4.203 -4.383 1.00 0.00 O ATOM 1106 CB ASP A 69 6.151 6.500 -7.033 1.00 0.00 C ATOM 1107 CG ASP A 69 6.694 6.361 -8.458 1.00 0.00 C ATOM 1108 OD1 ASP A 69 6.854 5.236 -8.903 1.00 0.00 O ATOM 1109 OD2 ASP A 69 6.938 7.380 -9.080 1.00 0.00 O ATOM 0 H ASP A 69 7.407 4.454 -7.712 1.00 0.00 H new ATOM 0 HA ASP A 69 7.890 6.436 -5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.144 6.088 -6.974 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.081 7.553 -6.760 1.00 0.00 H new ATOM 1114 N PHE A 70 5.587 6.226 -4.175 1.00 0.00 N ATOM 1115 CA PHE A 70 4.851 5.844 -2.927 1.00 0.00 C ATOM 1116 C PHE A 70 3.562 5.054 -3.234 1.00 0.00 C ATOM 1117 O PHE A 70 3.144 4.224 -2.451 1.00 0.00 O ATOM 1118 CB PHE A 70 4.506 7.121 -2.131 1.00 0.00 C ATOM 1119 CG PHE A 70 4.390 8.310 -3.071 1.00 0.00 C ATOM 1120 CD1 PHE A 70 3.321 8.399 -3.972 1.00 0.00 C ATOM 1121 CD2 PHE A 70 5.358 9.324 -3.038 1.00 0.00 C ATOM 1122 CE1 PHE A 70 3.220 9.496 -4.837 1.00 0.00 C ATOM 1123 CE2 PHE A 70 5.255 10.421 -3.902 1.00 0.00 C ATOM 1124 CZ PHE A 70 4.186 10.506 -4.802 1.00 0.00 C ATOM 0 H PHE A 70 5.471 7.196 -4.469 1.00 0.00 H new ATOM 0 HA PHE A 70 5.498 5.194 -2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.569 6.981 -1.593 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.277 7.312 -1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.573 7.620 -4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.184 9.259 -2.345 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.395 9.562 -5.531 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.001 11.202 -3.874 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.108 11.352 -5.469 1.00 0.00 H new ATOM 1134 N GLN A 71 2.916 5.313 -4.333 1.00 0.00 N ATOM 1135 CA GLN A 71 1.649 4.591 -4.638 1.00 0.00 C ATOM 1136 C GLN A 71 1.971 3.166 -5.098 1.00 0.00 C ATOM 1137 O GLN A 71 1.242 2.225 -4.829 1.00 0.00 O ATOM 1138 CB GLN A 71 0.875 5.357 -5.730 1.00 0.00 C ATOM 1139 CG GLN A 71 1.739 5.535 -6.987 1.00 0.00 C ATOM 1140 CD GLN A 71 1.723 4.261 -7.847 1.00 0.00 C ATOM 1141 OE1 GLN A 71 0.930 3.269 -7.542 1.00 0.00 O flip ATOM 1142 NE2 GLN A 71 2.449 4.171 -8.816 1.00 0.00 N flip ATOM 0 H GLN A 71 3.209 5.993 -5.035 1.00 0.00 H new ATOM 0 HA GLN A 71 1.028 4.534 -3.744 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.037 4.816 -5.983 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.572 6.333 -5.351 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.369 6.378 -7.571 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.763 5.772 -6.699 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.071 4.942 -9.061 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.437 3.325 -9.386 1.00 0.00 H new ATOM 1151 N GLU A 72 3.075 2.992 -5.763 1.00 0.00 N ATOM 1152 CA GLU A 72 3.470 1.636 -6.228 1.00 0.00 C ATOM 1153 C GLU A 72 4.240 0.941 -5.103 1.00 0.00 C ATOM 1154 O GLU A 72 4.070 -0.235 -4.851 1.00 0.00 O ATOM 1155 CB GLU A 72 4.344 1.813 -7.478 1.00 0.00 C ATOM 1156 CG GLU A 72 4.923 0.477 -7.971 1.00 0.00 C ATOM 1157 CD GLU A 72 5.990 0.766 -9.022 1.00 0.00 C ATOM 1158 OE1 GLU A 72 5.638 1.281 -10.071 1.00 0.00 O ATOM 1159 OE2 GLU A 72 7.144 0.465 -8.764 1.00 0.00 O ATOM 0 H GLU A 72 3.727 3.738 -6.007 1.00 0.00 H new ATOM 0 HA GLU A 72 2.605 1.022 -6.479 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.752 2.267 -8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.159 2.501 -7.256 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.354 -0.079 -7.138 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.134 -0.144 -8.394 1.00 0.00 H new ATOM 1166 N PHE A 73 5.086 1.660 -4.425 1.00 0.00 N ATOM 1167 CA PHE A 73 5.869 1.046 -3.316 1.00 0.00 C ATOM 1168 C PHE A 73 4.912 0.401 -2.324 1.00 0.00 C ATOM 1169 O PHE A 73 5.149 -0.677 -1.827 1.00 0.00 O ATOM 1170 CB PHE A 73 6.693 2.141 -2.629 1.00 0.00 C ATOM 1171 CG PHE A 73 7.262 1.693 -1.296 1.00 0.00 C ATOM 1172 CD1 PHE A 73 7.614 0.353 -1.053 1.00 0.00 C ATOM 1173 CD2 PHE A 73 7.462 2.654 -0.296 1.00 0.00 C ATOM 1174 CE1 PHE A 73 8.157 -0.012 0.184 1.00 0.00 C ATOM 1175 CE2 PHE A 73 8.010 2.286 0.934 1.00 0.00 C ATOM 1176 CZ PHE A 73 8.356 0.956 1.175 1.00 0.00 C ATOM 0 H PHE A 73 5.271 2.649 -4.590 1.00 0.00 H new ATOM 0 HA PHE A 73 6.541 0.280 -3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.509 2.442 -3.286 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.067 3.020 -2.476 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.465 -0.393 -1.820 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.191 3.684 -0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.423 -1.041 0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.166 3.031 1.700 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.778 0.673 2.128 1.00 0.00 H new ATOM 1186 N MET A 74 3.818 1.026 -2.047 1.00 0.00 N ATOM 1187 CA MET A 74 2.864 0.396 -1.110 1.00 0.00 C ATOM 1188 C MET A 74 2.406 -0.903 -1.752 1.00 0.00 C ATOM 1189 O MET A 74 2.307 -1.935 -1.117 1.00 0.00 O ATOM 1190 CB MET A 74 1.671 1.344 -0.895 1.00 0.00 C ATOM 1191 CG MET A 74 1.266 1.368 0.580 1.00 0.00 C ATOM 1192 SD MET A 74 -0.284 2.281 0.756 1.00 0.00 S ATOM 1193 CE MET A 74 -0.099 2.706 2.502 1.00 0.00 C ATOM 0 H MET A 74 3.542 1.934 -2.421 1.00 0.00 H new ATOM 0 HA MET A 74 3.320 0.198 -0.140 1.00 0.00 H new ATOM 0 HB2 MET A 74 1.934 2.350 -1.223 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.827 1.021 -1.505 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.147 0.351 0.953 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.048 1.837 1.177 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.887 3.400 2.793 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.171 1.802 3.106 1.00 0.00 H new ATOM 0 HE3 MET A 74 0.873 3.173 2.662 1.00 0.00 H new ATOM 1203 N ALA A 75 2.106 -0.840 -3.012 1.00 0.00 N ATOM 1204 CA ALA A 75 1.623 -2.066 -3.705 1.00 0.00 C ATOM 1205 C ALA A 75 2.585 -3.226 -3.427 1.00 0.00 C ATOM 1206 O ALA A 75 2.219 -4.381 -3.521 1.00 0.00 O ATOM 1207 CB ALA A 75 1.547 -1.808 -5.204 1.00 0.00 C ATOM 0 H ALA A 75 2.172 -0.003 -3.591 1.00 0.00 H new ATOM 0 HA ALA A 75 0.631 -2.325 -3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.193 -2.706 -5.710 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.857 -0.987 -5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.536 -1.546 -5.579 1.00 0.00 H new ATOM 1213 N PHE A 76 3.807 -2.934 -3.073 1.00 0.00 N ATOM 1214 CA PHE A 76 4.766 -4.043 -2.780 1.00 0.00 C ATOM 1215 C PHE A 76 4.418 -4.627 -1.414 1.00 0.00 C ATOM 1216 O PHE A 76 4.292 -5.824 -1.255 1.00 0.00 O ATOM 1217 CB PHE A 76 6.213 -3.520 -2.805 1.00 0.00 C ATOM 1218 CG PHE A 76 7.166 -4.519 -2.167 1.00 0.00 C ATOM 1219 CD1 PHE A 76 7.152 -5.868 -2.558 1.00 0.00 C ATOM 1220 CD2 PHE A 76 8.073 -4.088 -1.189 1.00 0.00 C ATOM 1221 CE1 PHE A 76 8.041 -6.776 -1.968 1.00 0.00 C ATOM 1222 CE2 PHE A 76 8.960 -4.996 -0.604 1.00 0.00 C ATOM 1223 CZ PHE A 76 8.944 -6.340 -0.991 1.00 0.00 C ATOM 0 H PHE A 76 4.181 -1.990 -2.974 1.00 0.00 H new ATOM 0 HA PHE A 76 4.687 -4.820 -3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.516 -3.329 -3.834 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.269 -2.569 -2.275 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.457 -6.205 -3.313 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.086 -3.051 -0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.030 -7.814 -2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.659 -4.659 0.148 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.628 -7.041 -0.536 1.00 0.00 H new ATOM 1233 N VAL A 77 4.246 -3.794 -0.427 1.00 0.00 N ATOM 1234 CA VAL A 77 3.889 -4.317 0.918 1.00 0.00 C ATOM 1235 C VAL A 77 2.596 -5.129 0.816 1.00 0.00 C ATOM 1236 O VAL A 77 2.441 -6.143 1.466 1.00 0.00 O ATOM 1237 CB VAL A 77 3.665 -3.159 1.894 1.00 0.00 C ATOM 1238 CG1 VAL A 77 3.482 -3.716 3.309 1.00 0.00 C ATOM 1239 CG2 VAL A 77 4.870 -2.219 1.886 1.00 0.00 C ATOM 0 H VAL A 77 4.337 -2.780 -0.493 1.00 0.00 H new ATOM 0 HA VAL A 77 4.704 -4.944 1.280 1.00 0.00 H new ATOM 0 HB VAL A 77 2.776 -2.608 1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.322 -2.893 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.619 -4.381 3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.374 -4.270 3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.697 -1.400 2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.762 -2.769 2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.011 -1.817 0.883 1.00 0.00 H new ATOM 1249 N SER A 78 1.660 -4.691 0.017 1.00 0.00 N ATOM 1250 CA SER A 78 0.381 -5.440 -0.101 1.00 0.00 C ATOM 1251 C SER A 78 0.638 -6.781 -0.777 1.00 0.00 C ATOM 1252 O SER A 78 -0.007 -7.765 -0.485 1.00 0.00 O ATOM 1253 CB SER A 78 -0.638 -4.630 -0.912 1.00 0.00 C ATOM 1254 OG SER A 78 -1.325 -5.487 -1.815 1.00 0.00 O ATOM 0 H SER A 78 1.728 -3.850 -0.556 1.00 0.00 H new ATOM 0 HA SER A 78 -0.026 -5.609 0.896 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.349 -4.148 -0.242 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.131 -3.838 -1.463 1.00 0.00 H new ATOM 0 HG SER A 78 -2.291 -5.347 -1.728 1.00 0.00 H new ATOM 1260 N MET A 79 1.595 -6.843 -1.652 1.00 0.00 N ATOM 1261 CA MET A 79 1.899 -8.138 -2.308 1.00 0.00 C ATOM 1262 C MET A 79 2.557 -9.028 -1.264 1.00 0.00 C ATOM 1263 O MET A 79 2.485 -10.238 -1.311 1.00 0.00 O ATOM 1264 CB MET A 79 2.840 -7.923 -3.502 1.00 0.00 C ATOM 1265 CG MET A 79 3.029 -9.240 -4.283 1.00 0.00 C ATOM 1266 SD MET A 79 3.305 -8.862 -6.040 1.00 0.00 S ATOM 1267 CE MET A 79 4.969 -9.562 -6.204 1.00 0.00 C ATOM 0 H MET A 79 2.178 -6.057 -1.941 1.00 0.00 H new ATOM 0 HA MET A 79 0.989 -8.602 -2.688 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.432 -7.157 -4.162 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.806 -7.559 -3.151 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.876 -9.796 -3.881 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.149 -9.873 -4.169 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.321 -9.428 -7.227 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.647 -9.054 -5.518 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.941 -10.625 -5.966 1.00 0.00 H new ATOM 1277 N VAL A 80 3.169 -8.409 -0.296 1.00 0.00 N ATOM 1278 CA VAL A 80 3.814 -9.163 0.799 1.00 0.00 C ATOM 1279 C VAL A 80 2.746 -9.427 1.841 1.00 0.00 C ATOM 1280 O VAL A 80 2.706 -10.471 2.461 1.00 0.00 O ATOM 1281 CB VAL A 80 4.938 -8.322 1.422 1.00 0.00 C ATOM 1282 CG1 VAL A 80 5.436 -8.996 2.709 1.00 0.00 C ATOM 1283 CG2 VAL A 80 6.096 -8.177 0.423 1.00 0.00 C ATOM 0 H VAL A 80 3.248 -7.395 -0.221 1.00 0.00 H new ATOM 0 HA VAL A 80 4.245 -10.093 0.428 1.00 0.00 H new ATOM 0 HB VAL A 80 4.553 -7.331 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.233 -8.397 3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.612 -9.080 3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.816 -9.990 2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.890 -7.579 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.483 -9.164 0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.737 -7.685 -0.481 1.00 0.00 H new ATOM 1293 N THR A 81 1.863 -8.485 2.034 1.00 0.00 N ATOM 1294 CA THR A 81 0.790 -8.693 3.028 1.00 0.00 C ATOM 1295 C THR A 81 -0.178 -9.722 2.457 1.00 0.00 C ATOM 1296 O THR A 81 -0.749 -10.519 3.175 1.00 0.00 O ATOM 1297 CB THR A 81 0.088 -7.345 3.333 1.00 0.00 C ATOM 1298 OG1 THR A 81 -0.096 -7.227 4.736 1.00 0.00 O ATOM 1299 CG2 THR A 81 -1.279 -7.235 2.640 1.00 0.00 C ATOM 0 H THR A 81 1.844 -7.589 1.547 1.00 0.00 H new ATOM 0 HA THR A 81 1.191 -9.064 3.971 1.00 0.00 H new ATOM 0 HB THR A 81 0.722 -6.545 2.952 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.981 -6.848 4.919 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.734 -6.274 2.882 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.147 -7.312 1.561 1.00 0.00 H new ATOM 0 HG23 THR A 81 -1.927 -8.041 2.985 1.00 0.00 H new ATOM 1307 N THR A 82 -0.384 -9.702 1.165 1.00 0.00 N ATOM 1308 CA THR A 82 -1.334 -10.674 0.559 1.00 0.00 C ATOM 1309 C THR A 82 -0.828 -12.102 0.754 1.00 0.00 C ATOM 1310 O THR A 82 -1.597 -13.003 1.027 1.00 0.00 O ATOM 1311 CB THR A 82 -1.472 -10.380 -0.932 1.00 0.00 C ATOM 1312 OG1 THR A 82 -0.181 -10.213 -1.492 1.00 0.00 O ATOM 1313 CG2 THR A 82 -2.302 -9.100 -1.139 1.00 0.00 C ATOM 0 H THR A 82 0.062 -9.059 0.511 1.00 0.00 H new ATOM 0 HA THR A 82 -2.304 -10.576 1.047 1.00 0.00 H new ATOM 0 HB THR A 82 -1.979 -11.210 -1.423 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.192 -10.497 -2.430 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.396 -8.896 -2.206 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.293 -9.235 -0.706 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.805 -8.261 -0.652 1.00 0.00 H new ATOM 1321 N ALA A 83 0.455 -12.333 0.630 1.00 0.00 N ATOM 1322 CA ALA A 83 0.972 -13.712 0.824 1.00 0.00 C ATOM 1323 C ALA A 83 0.751 -14.116 2.277 1.00 0.00 C ATOM 1324 O ALA A 83 0.291 -15.202 2.569 1.00 0.00 O ATOM 1325 CB ALA A 83 2.470 -13.746 0.505 1.00 0.00 C ATOM 0 H ALA A 83 1.158 -11.629 0.405 1.00 0.00 H new ATOM 0 HA ALA A 83 0.450 -14.403 0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.849 -14.758 0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.629 -13.441 -0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.999 -13.063 1.170 1.00 0.00 H new ATOM 1331 N CYS A 84 1.064 -13.242 3.195 1.00 0.00 N ATOM 1332 CA CYS A 84 0.855 -13.578 4.632 1.00 0.00 C ATOM 1333 C CYS A 84 -0.635 -13.829 4.867 1.00 0.00 C ATOM 1334 O CYS A 84 -1.037 -14.374 5.877 1.00 0.00 O ATOM 1335 CB CYS A 84 1.319 -12.413 5.507 1.00 0.00 C ATOM 1336 SG CYS A 84 1.332 -12.928 7.241 1.00 0.00 S ATOM 0 H CYS A 84 1.453 -12.316 3.014 1.00 0.00 H new ATOM 0 HA CYS A 84 1.429 -14.468 4.890 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.316 -12.092 5.205 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.655 -11.559 5.375 1.00 0.00 H new ATOM 0 HG CYS A 84 0.354 -13.758 7.455 1.00 0.00 H new ATOM 1342 N HIS A 85 -1.458 -13.427 3.934 1.00 0.00 N ATOM 1343 CA HIS A 85 -2.932 -13.619 4.072 1.00 0.00 C ATOM 1344 C HIS A 85 -3.363 -14.841 3.247 1.00 0.00 C ATOM 1345 O HIS A 85 -4.258 -15.570 3.625 1.00 0.00 O ATOM 1346 CB HIS A 85 -3.630 -12.346 3.562 1.00 0.00 C ATOM 1347 CG HIS A 85 -5.073 -12.609 3.216 1.00 0.00 C ATOM 1348 ND1 HIS A 85 -5.693 -11.980 2.148 1.00 0.00 N ATOM 1349 CD2 HIS A 85 -6.029 -13.415 3.782 1.00 0.00 C ATOM 1350 CE1 HIS A 85 -6.965 -12.412 2.103 1.00 0.00 C ATOM 1351 NE2 HIS A 85 -7.225 -13.290 3.076 1.00 0.00 N ATOM 0 H HIS A 85 -1.167 -12.968 3.071 1.00 0.00 H new ATOM 0 HA HIS A 85 -3.206 -13.793 5.113 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.573 -11.568 4.324 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.107 -11.970 2.683 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -5.262 -11.310 1.511 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -5.878 -14.049 4.643 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.689 -12.089 1.370 1.00 0.00 H new ATOM 1359 N GLU A 86 -2.736 -15.069 2.124 1.00 0.00 N ATOM 1360 CA GLU A 86 -3.118 -16.241 1.286 1.00 0.00 C ATOM 1361 C GLU A 86 -2.708 -17.533 1.992 1.00 0.00 C ATOM 1362 O GLU A 86 -3.471 -18.473 2.085 1.00 0.00 O ATOM 1363 CB GLU A 86 -2.416 -16.153 -0.071 1.00 0.00 C ATOM 1364 CG GLU A 86 -2.804 -17.362 -0.926 1.00 0.00 C ATOM 1365 CD GLU A 86 -2.258 -17.184 -2.343 1.00 0.00 C ATOM 1366 OE1 GLU A 86 -2.457 -16.119 -2.906 1.00 0.00 O ATOM 1367 OE2 GLU A 86 -1.651 -18.116 -2.844 1.00 0.00 O ATOM 0 H GLU A 86 -1.978 -14.496 1.752 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.198 -16.239 1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.697 -15.230 -0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.335 -16.124 0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.406 -18.275 -0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.889 -17.468 -0.954 1.00 0.00 H new ATOM 1374 N PHE A 87 -1.508 -17.586 2.492 1.00 0.00 N ATOM 1375 CA PHE A 87 -1.045 -18.818 3.196 1.00 0.00 C ATOM 1376 C PHE A 87 -1.867 -19.005 4.475 1.00 0.00 C ATOM 1377 O PHE A 87 -2.269 -20.101 4.813 1.00 0.00 O ATOM 1378 CB PHE A 87 0.440 -18.671 3.556 1.00 0.00 C ATOM 1379 CG PHE A 87 1.293 -18.941 2.332 1.00 0.00 C ATOM 1380 CD1 PHE A 87 1.198 -18.101 1.214 1.00 0.00 C ATOM 1381 CD2 PHE A 87 2.176 -20.030 2.314 1.00 0.00 C ATOM 1382 CE1 PHE A 87 1.985 -18.349 0.082 1.00 0.00 C ATOM 1383 CE2 PHE A 87 2.962 -20.276 1.182 1.00 0.00 C ATOM 1384 CZ PHE A 87 2.866 -19.436 0.066 1.00 0.00 C ATOM 0 H PHE A 87 -0.825 -16.830 2.445 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.176 -19.684 2.548 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.635 -17.667 3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.701 -19.367 4.354 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.518 -17.262 1.225 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.250 -20.679 3.174 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.912 -17.701 -0.779 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.643 -21.114 1.170 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.472 -19.627 -0.807 1.00 0.00 H new ATOM 1394 N PHE A 88 -2.118 -17.940 5.187 1.00 0.00 N ATOM 1395 CA PHE A 88 -2.911 -18.048 6.444 1.00 0.00 C ATOM 1396 C PHE A 88 -4.258 -18.713 6.150 1.00 0.00 C ATOM 1397 O PHE A 88 -4.909 -19.231 7.036 1.00 0.00 O ATOM 1398 CB PHE A 88 -3.141 -16.647 7.018 1.00 0.00 C ATOM 1399 CG PHE A 88 -3.803 -16.750 8.374 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -3.050 -17.121 9.496 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -5.170 -16.469 8.511 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -3.663 -17.211 10.753 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -5.780 -16.559 9.768 1.00 0.00 C ATOM 1404 CZ PHE A 88 -5.028 -16.930 10.888 1.00 0.00 C ATOM 0 H PHE A 88 -1.807 -16.998 4.951 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.366 -18.654 7.168 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.191 -16.120 7.106 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.767 -16.065 6.341 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.997 -17.338 9.392 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -5.752 -16.183 7.647 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.083 -17.497 11.618 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.833 -16.342 9.873 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.500 -17.000 11.857 1.00 0.00 H new ATOM 1494 N GLU B 2 7.832 -1.777 11.791 1.00 0.00 N ATOM 1495 CA GLU B 2 6.654 -0.884 11.643 1.00 0.00 C ATOM 1496 C GLU B 2 5.879 -1.346 10.407 1.00 0.00 C ATOM 1497 O GLU B 2 4.674 -1.213 10.323 1.00 0.00 O ATOM 1498 CB GLU B 2 7.117 0.564 11.474 1.00 0.00 C ATOM 1499 CG GLU B 2 7.666 1.067 12.809 1.00 0.00 C ATOM 1500 CD GLU B 2 8.284 2.455 12.626 1.00 0.00 C ATOM 1501 OE1 GLU B 2 8.624 2.786 11.502 1.00 0.00 O ATOM 1502 OE2 GLU B 2 8.411 3.161 13.613 1.00 0.00 O ATOM 0 HA GLU B 2 6.018 -0.931 12.527 1.00 0.00 H new ATOM 0 HB2 GLU B 2 7.885 0.627 10.703 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.286 1.190 11.148 1.00 0.00 H new ATOM 0 HG2 GLU B 2 6.866 1.110 13.549 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.415 0.373 13.189 1.00 0.00 H new ATOM 1509 N LEU B 3 6.576 -1.912 9.458 1.00 0.00 N ATOM 1510 CA LEU B 3 5.909 -2.417 8.228 1.00 0.00 C ATOM 1511 C LEU B 3 5.100 -3.669 8.595 1.00 0.00 C ATOM 1512 O LEU B 3 4.146 -4.020 7.932 1.00 0.00 O ATOM 1513 CB LEU B 3 6.988 -2.762 7.175 1.00 0.00 C ATOM 1514 CG LEU B 3 7.154 -1.627 6.135 1.00 0.00 C ATOM 1515 CD1 LEU B 3 6.032 -1.695 5.092 1.00 0.00 C ATOM 1516 CD2 LEU B 3 7.148 -0.248 6.821 1.00 0.00 C ATOM 0 H LEU B 3 7.587 -2.046 9.485 1.00 0.00 H new ATOM 0 HA LEU B 3 5.241 -1.663 7.812 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.940 -2.941 7.674 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.717 -3.687 6.665 1.00 0.00 H new ATOM 0 HG LEU B 3 8.114 -1.761 5.637 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.160 -0.892 4.367 1.00 0.00 H new ATOM 0 HD12 LEU B 3 6.070 -2.656 4.579 1.00 0.00 H new ATOM 0 HD13 LEU B 3 5.067 -1.586 5.588 1.00 0.00 H new ATOM 0 HD21 LEU B 3 7.266 0.533 6.070 1.00 0.00 H new ATOM 0 HD22 LEU B 3 6.203 -0.107 7.346 1.00 0.00 H new ATOM 0 HD23 LEU B 3 7.971 -0.193 7.534 1.00 0.00 H new ATOM 1528 N GLU B 4 5.457 -4.329 9.665 1.00 0.00 N ATOM 1529 CA GLU B 4 4.690 -5.531 10.088 1.00 0.00 C ATOM 1530 C GLU B 4 3.450 -5.041 10.824 1.00 0.00 C ATOM 1531 O GLU B 4 2.416 -5.680 10.829 1.00 0.00 O ATOM 1532 CB GLU B 4 5.548 -6.403 11.016 1.00 0.00 C ATOM 1533 CG GLU B 4 4.677 -7.475 11.682 1.00 0.00 C ATOM 1534 CD GLU B 4 5.572 -8.544 12.317 1.00 0.00 C ATOM 1535 OE1 GLU B 4 6.697 -8.691 11.870 1.00 0.00 O ATOM 1536 OE2 GLU B 4 5.116 -9.194 13.243 1.00 0.00 O ATOM 0 H GLU B 4 6.247 -4.086 10.263 1.00 0.00 H new ATOM 0 HA GLU B 4 4.410 -6.135 9.225 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.349 -6.875 10.447 1.00 0.00 H new ATOM 0 HB3 GLU B 4 6.021 -5.782 11.777 1.00 0.00 H new ATOM 0 HG2 GLU B 4 4.041 -7.021 12.442 1.00 0.00 H new ATOM 0 HG3 GLU B 4 4.016 -7.931 10.944 1.00 0.00 H new ATOM 1543 N LYS B 5 3.549 -3.889 11.429 1.00 0.00 N ATOM 1544 CA LYS B 5 2.376 -3.321 12.154 1.00 0.00 C ATOM 1545 C LYS B 5 1.290 -2.995 11.122 1.00 0.00 C ATOM 1546 O LYS B 5 0.122 -3.271 11.310 1.00 0.00 O ATOM 1547 CB LYS B 5 2.818 -2.026 12.892 1.00 0.00 C ATOM 1548 CG LYS B 5 2.586 -2.150 14.401 1.00 0.00 C ATOM 1549 CD LYS B 5 3.655 -3.065 15.021 1.00 0.00 C ATOM 1550 CE LYS B 5 5.036 -2.384 15.007 1.00 0.00 C ATOM 1551 NZ LYS B 5 5.832 -2.873 16.166 1.00 0.00 N ATOM 0 H LYS B 5 4.392 -3.316 11.453 1.00 0.00 H new ATOM 0 HA LYS B 5 1.989 -4.031 12.885 1.00 0.00 H new ATOM 0 HB2 LYS B 5 3.873 -1.834 12.697 1.00 0.00 H new ATOM 0 HB3 LYS B 5 2.261 -1.173 12.503 1.00 0.00 H new ATOM 0 HG2 LYS B 5 2.624 -1.165 14.866 1.00 0.00 H new ATOM 0 HG3 LYS B 5 1.592 -2.555 14.593 1.00 0.00 H new ATOM 0 HD2 LYS B 5 3.378 -3.313 16.046 1.00 0.00 H new ATOM 0 HD3 LYS B 5 3.702 -4.003 14.468 1.00 0.00 H new ATOM 0 HE2 LYS B 5 5.555 -2.605 14.074 1.00 0.00 H new ATOM 0 HE3 LYS B 5 4.922 -1.301 15.059 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 6.767 -2.417 16.163 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 5.336 -2.641 17.050 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 5.950 -3.904 16.096 1.00 0.00 H new ATOM 1565 N ALA B 6 1.689 -2.400 10.038 1.00 0.00 N ATOM 1566 CA ALA B 6 0.719 -2.029 8.971 1.00 0.00 C ATOM 1567 C ALA B 6 0.151 -3.284 8.313 1.00 0.00 C ATOM 1568 O ALA B 6 -1.047 -3.430 8.165 1.00 0.00 O ATOM 1569 CB ALA B 6 1.427 -1.181 7.915 1.00 0.00 C ATOM 0 H ALA B 6 2.658 -2.151 9.841 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.098 -1.461 9.417 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.719 -0.908 7.133 1.00 0.00 H new ATOM 0 HB2 ALA B 6 1.821 -0.277 8.379 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.247 -1.752 7.479 1.00 0.00 H new ATOM 1575 N MET B 7 0.995 -4.187 7.906 1.00 0.00 N ATOM 1576 CA MET B 7 0.494 -5.426 7.248 1.00 0.00 C ATOM 1577 C MET B 7 -0.620 -6.037 8.095 1.00 0.00 C ATOM 1578 O MET B 7 -1.619 -6.504 7.586 1.00 0.00 O ATOM 1579 CB MET B 7 1.627 -6.452 7.128 1.00 0.00 C ATOM 1580 CG MET B 7 2.700 -5.969 6.146 1.00 0.00 C ATOM 1581 SD MET B 7 4.270 -6.777 6.561 1.00 0.00 S ATOM 1582 CE MET B 7 5.195 -6.332 5.071 1.00 0.00 C ATOM 0 H MET B 7 2.009 -4.123 7.999 1.00 0.00 H new ATOM 0 HA MET B 7 0.121 -5.169 6.257 1.00 0.00 H new ATOM 0 HB2 MET B 7 2.074 -6.622 8.107 1.00 0.00 H new ATOM 0 HB3 MET B 7 1.224 -7.407 6.792 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.411 -6.207 5.122 1.00 0.00 H new ATOM 0 HG3 MET B 7 2.805 -4.886 6.203 1.00 0.00 H new ATOM 0 HE1 MET B 7 6.053 -6.995 4.964 1.00 0.00 H new ATOM 0 HE2 MET B 7 4.549 -6.431 4.199 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.541 -5.301 5.152 1.00 0.00 H new ATOM 1592 N VAL B 8 -0.446 -6.047 9.386 1.00 0.00 N ATOM 1593 CA VAL B 8 -1.488 -6.641 10.269 1.00 0.00 C ATOM 1594 C VAL B 8 -2.700 -5.711 10.323 1.00 0.00 C ATOM 1595 O VAL B 8 -3.832 -6.151 10.277 1.00 0.00 O ATOM 1596 CB VAL B 8 -0.906 -6.838 11.675 1.00 0.00 C ATOM 1597 CG1 VAL B 8 -2.032 -7.156 12.668 1.00 0.00 C ATOM 1598 CG2 VAL B 8 0.103 -7.998 11.650 1.00 0.00 C ATOM 0 H VAL B 8 0.370 -5.671 9.868 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.803 -7.607 9.875 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.404 -5.923 11.989 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.611 -7.294 13.664 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.744 -6.331 12.687 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.542 -8.069 12.360 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.518 -8.140 12.648 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -0.400 -8.911 11.333 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.907 -7.766 10.952 1.00 0.00 H new ATOM 1608 N ALA B 9 -2.477 -4.434 10.428 1.00 0.00 N ATOM 1609 CA ALA B 9 -3.624 -3.491 10.491 1.00 0.00 C ATOM 1610 C ALA B 9 -4.456 -3.594 9.206 1.00 0.00 C ATOM 1611 O ALA B 9 -5.672 -3.480 9.228 1.00 0.00 O ATOM 1612 CB ALA B 9 -3.100 -2.061 10.642 1.00 0.00 C ATOM 0 H ALA B 9 -1.554 -4.003 10.473 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.250 -3.746 11.346 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.940 -1.369 10.688 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.515 -1.983 11.558 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.471 -1.812 9.787 1.00 0.00 H new ATOM 1618 N LEU B 10 -3.822 -3.801 8.082 1.00 0.00 N ATOM 1619 CA LEU B 10 -4.598 -3.888 6.812 1.00 0.00 C ATOM 1620 C LEU B 10 -5.246 -5.267 6.685 1.00 0.00 C ATOM 1621 O LEU B 10 -6.388 -5.369 6.323 1.00 0.00 O ATOM 1622 CB LEU B 10 -3.661 -3.623 5.619 1.00 0.00 C ATOM 1623 CG LEU B 10 -3.614 -2.120 5.314 1.00 0.00 C ATOM 1624 CD1 LEU B 10 -3.156 -1.347 6.552 1.00 0.00 C ATOM 1625 CD2 LEU B 10 -2.627 -1.869 4.178 1.00 0.00 C ATOM 0 H LEU B 10 -2.812 -3.912 7.989 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.387 -3.136 6.819 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.659 -3.988 5.844 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.010 -4.170 4.743 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.610 -1.783 5.027 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.126 -0.281 6.325 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -3.854 -1.524 7.370 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -2.161 -1.684 6.844 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -2.590 -0.802 3.957 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -1.636 -2.213 4.474 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.949 -2.412 3.290 1.00 0.00 H new ATOM 1637 N ILE B 11 -4.530 -6.321 6.960 1.00 0.00 N ATOM 1638 CA ILE B 11 -5.111 -7.694 6.825 1.00 0.00 C ATOM 1639 C ILE B 11 -6.527 -7.709 7.420 1.00 0.00 C ATOM 1640 O ILE B 11 -7.456 -8.226 6.832 1.00 0.00 O ATOM 1641 CB ILE B 11 -4.161 -8.697 7.566 1.00 0.00 C ATOM 1642 CG1 ILE B 11 -3.586 -9.722 6.578 1.00 0.00 C ATOM 1643 CG2 ILE B 11 -4.877 -9.465 8.696 1.00 0.00 C ATOM 1644 CD1 ILE B 11 -2.516 -9.060 5.706 1.00 0.00 C ATOM 0 H ILE B 11 -3.560 -6.294 7.275 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.191 -7.989 5.779 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.365 -8.096 8.005 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -3.156 -10.563 7.122 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -4.383 -10.122 5.951 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.174 -10.146 9.176 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.257 -8.757 9.433 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.707 -10.036 8.279 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -2.112 -9.792 5.007 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -2.960 -8.234 5.150 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -1.714 -8.682 6.339 1.00 0.00 H new ATOM 1656 N ASP B 12 -6.690 -7.151 8.578 1.00 0.00 N ATOM 1657 CA ASP B 12 -8.038 -7.132 9.213 1.00 0.00 C ATOM 1658 C ASP B 12 -9.014 -6.345 8.341 1.00 0.00 C ATOM 1659 O ASP B 12 -10.092 -6.809 8.024 1.00 0.00 O ATOM 1660 CB ASP B 12 -7.945 -6.474 10.592 1.00 0.00 C ATOM 1661 CG ASP B 12 -7.259 -7.424 11.575 1.00 0.00 C ATOM 1662 OD1 ASP B 12 -7.933 -8.303 12.088 1.00 0.00 O ATOM 1663 OD2 ASP B 12 -6.071 -7.257 11.798 1.00 0.00 O ATOM 0 H ASP B 12 -5.949 -6.704 9.118 1.00 0.00 H new ATOM 0 HA ASP B 12 -8.396 -8.156 9.319 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -7.385 -5.541 10.523 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -8.942 -6.221 10.952 1.00 0.00 H new ATOM 1668 N VAL B 13 -8.653 -5.155 7.957 1.00 0.00 N ATOM 1669 CA VAL B 13 -9.567 -4.334 7.113 1.00 0.00 C ATOM 1670 C VAL B 13 -9.553 -4.838 5.665 1.00 0.00 C ATOM 1671 O VAL B 13 -10.499 -4.653 4.928 1.00 0.00 O ATOM 1672 CB VAL B 13 -9.121 -2.871 7.167 1.00 0.00 C ATOM 1673 CG1 VAL B 13 -10.119 -1.985 6.405 1.00 0.00 C ATOM 1674 CG2 VAL B 13 -9.053 -2.426 8.631 1.00 0.00 C ATOM 0 H VAL B 13 -7.764 -4.713 8.190 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.584 -4.419 7.495 1.00 0.00 H new ATOM 0 HB VAL B 13 -8.140 -2.774 6.702 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -9.792 -0.946 6.450 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.169 -2.305 5.364 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -11.106 -2.074 6.859 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.736 -1.384 8.680 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -10.037 -2.528 9.088 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -8.337 -3.049 9.168 1.00 0.00 H new ATOM 1684 N PHE B 14 -8.486 -5.461 5.246 1.00 0.00 N ATOM 1685 CA PHE B 14 -8.421 -5.956 3.835 1.00 0.00 C ATOM 1686 C PHE B 14 -9.355 -7.161 3.662 1.00 0.00 C ATOM 1687 O PHE B 14 -10.049 -7.280 2.672 1.00 0.00 O ATOM 1688 CB PHE B 14 -6.973 -6.371 3.489 1.00 0.00 C ATOM 1689 CG PHE B 14 -6.232 -5.226 2.833 1.00 0.00 C ATOM 1690 CD1 PHE B 14 -6.422 -3.915 3.283 1.00 0.00 C ATOM 1691 CD2 PHE B 14 -5.357 -5.479 1.767 1.00 0.00 C ATOM 1692 CE1 PHE B 14 -5.739 -2.858 2.669 1.00 0.00 C ATOM 1693 CE2 PHE B 14 -4.675 -4.423 1.153 1.00 0.00 C ATOM 1694 CZ PHE B 14 -4.865 -3.113 1.603 1.00 0.00 C ATOM 0 H PHE B 14 -7.659 -5.650 5.813 1.00 0.00 H new ATOM 0 HA PHE B 14 -8.736 -5.156 3.165 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -6.451 -6.677 4.395 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -6.986 -7.233 2.822 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -7.096 -3.718 4.104 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -5.209 -6.491 1.419 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -5.886 -1.846 3.017 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -4.002 -4.620 0.332 1.00 0.00 H new ATOM 0 HZ PHE B 14 -4.338 -2.298 1.129 1.00 0.00 H new ATOM 1704 N HIS B 15 -9.357 -8.067 4.598 1.00 0.00 N ATOM 1705 CA HIS B 15 -10.221 -9.273 4.460 1.00 0.00 C ATOM 1706 C HIS B 15 -11.683 -8.925 4.770 1.00 0.00 C ATOM 1707 O HIS B 15 -12.592 -9.437 4.147 1.00 0.00 O ATOM 1708 CB HIS B 15 -9.719 -10.360 5.426 1.00 0.00 C ATOM 1709 CG HIS B 15 -10.073 -11.730 4.905 1.00 0.00 C ATOM 1710 ND1 HIS B 15 -9.985 -12.290 3.653 1.00 0.00 N flip ATOM 1711 CD2 HIS B 15 -10.581 -12.724 5.728 1.00 0.00 C flip ATOM 1712 CE1 HIS B 15 -10.429 -13.607 3.696 1.00 0.00 C flip ATOM 1713 NE2 HIS B 15 -10.777 -13.817 4.969 1.00 0.00 N flip ATOM 0 H HIS B 15 -8.799 -8.026 5.451 1.00 0.00 H new ATOM 0 HA HIS B 15 -10.169 -9.639 3.435 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -8.639 -10.278 5.547 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -10.162 -10.213 6.411 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -10.782 -12.636 6.785 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -10.481 -14.309 2.877 1.00 0.00 H new ATOM 0 HE2 HIS B 15 -11.147 -14.700 5.322 1.00 0.00 H new ATOM 1721 N GLN B 16 -11.923 -8.073 5.728 1.00 0.00 N ATOM 1722 CA GLN B 16 -13.334 -7.721 6.063 1.00 0.00 C ATOM 1723 C GLN B 16 -13.971 -6.933 4.913 1.00 0.00 C ATOM 1724 O GLN B 16 -15.128 -7.112 4.588 1.00 0.00 O ATOM 1725 CB GLN B 16 -13.363 -6.868 7.335 1.00 0.00 C ATOM 1726 CG GLN B 16 -12.949 -7.718 8.538 1.00 0.00 C ATOM 1727 CD GLN B 16 -12.651 -6.803 9.727 1.00 0.00 C ATOM 1728 OE1 GLN B 16 -13.468 -5.983 10.097 1.00 0.00 O ATOM 1729 NE2 GLN B 16 -11.505 -6.908 10.344 1.00 0.00 N ATOM 0 H GLN B 16 -11.210 -7.608 6.290 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.897 -8.641 6.222 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.689 -6.018 7.229 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -14.363 -6.464 7.490 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -13.744 -8.418 8.794 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -12.069 -8.312 8.292 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -10.820 -7.596 10.033 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -11.295 -6.302 11.137 1.00 0.00 H new ATOM 1738 N TYR B 17 -13.227 -6.056 4.295 1.00 0.00 N ATOM 1739 CA TYR B 17 -13.798 -5.247 3.175 1.00 0.00 C ATOM 1740 C TYR B 17 -13.641 -5.992 1.851 1.00 0.00 C ATOM 1741 O TYR B 17 -14.611 -6.280 1.179 1.00 0.00 O ATOM 1742 CB TYR B 17 -13.067 -3.902 3.109 1.00 0.00 C ATOM 1743 CG TYR B 17 -13.589 -2.996 4.204 1.00 0.00 C ATOM 1744 CD1 TYR B 17 -13.310 -3.292 5.544 1.00 0.00 C ATOM 1745 CD2 TYR B 17 -14.359 -1.871 3.881 1.00 0.00 C ATOM 1746 CE1 TYR B 17 -13.800 -2.464 6.561 1.00 0.00 C ATOM 1747 CE2 TYR B 17 -14.846 -1.043 4.899 1.00 0.00 C ATOM 1748 CZ TYR B 17 -14.568 -1.340 6.239 1.00 0.00 C ATOM 1749 OH TYR B 17 -15.052 -0.527 7.243 1.00 0.00 O ATOM 0 H TYR B 17 -12.250 -5.863 4.515 1.00 0.00 H new ATOM 0 HA TYR B 17 -14.860 -5.080 3.353 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -11.994 -4.052 3.226 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -13.220 -3.439 2.134 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -12.717 -4.159 5.793 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -14.576 -1.643 2.848 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.585 -2.693 7.594 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -15.437 -0.174 4.651 1.00 0.00 H new ATOM 0 HH TYR B 17 -15.565 0.209 6.849 1.00 0.00 H new ATOM 1759 N SER B 18 -12.442 -6.313 1.465 1.00 0.00 N ATOM 1760 CA SER B 18 -12.265 -7.042 0.184 1.00 0.00 C ATOM 1761 C SER B 18 -13.069 -8.340 0.246 1.00 0.00 C ATOM 1762 O SER B 18 -13.461 -8.892 -0.763 1.00 0.00 O ATOM 1763 CB SER B 18 -10.786 -7.361 -0.028 1.00 0.00 C ATOM 1764 OG SER B 18 -10.453 -8.546 0.682 1.00 0.00 O ATOM 0 H SER B 18 -11.584 -6.105 1.976 1.00 0.00 H new ATOM 0 HA SER B 18 -12.615 -6.427 -0.645 1.00 0.00 H new ATOM 0 HB2 SER B 18 -10.579 -7.490 -1.090 1.00 0.00 H new ATOM 0 HB3 SER B 18 -10.170 -6.531 0.318 1.00 0.00 H new ATOM 0 HG SER B 18 -10.611 -8.409 1.639 1.00 0.00 H new ATOM 1770 N GLY B 19 -13.312 -8.832 1.433 1.00 0.00 N ATOM 1771 CA GLY B 19 -14.089 -10.101 1.592 1.00 0.00 C ATOM 1772 C GLY B 19 -15.547 -9.786 1.944 1.00 0.00 C ATOM 1773 O GLY B 19 -16.344 -10.679 2.160 1.00 0.00 O ATOM 0 H GLY B 19 -13.003 -8.407 2.307 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -14.047 -10.680 0.670 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -13.642 -10.714 2.375 1.00 0.00 H new ATOM 1777 N ARG B 20 -15.914 -8.533 1.990 1.00 0.00 N ATOM 1778 CA ARG B 20 -17.328 -8.184 2.312 1.00 0.00 C ATOM 1779 C ARG B 20 -18.236 -8.726 1.211 1.00 0.00 C ATOM 1780 O ARG B 20 -19.283 -9.284 1.470 1.00 0.00 O ATOM 1781 CB ARG B 20 -17.467 -6.662 2.391 1.00 0.00 C ATOM 1782 CG ARG B 20 -18.869 -6.278 2.868 1.00 0.00 C ATOM 1783 CD ARG B 20 -19.094 -4.786 2.616 1.00 0.00 C ATOM 1784 NE ARG B 20 -20.455 -4.405 3.084 1.00 0.00 N ATOM 1785 CZ ARG B 20 -20.692 -4.268 4.360 1.00 0.00 C ATOM 1786 NH1 ARG B 20 -19.729 -4.435 5.225 1.00 0.00 N ATOM 1787 NH2 ARG B 20 -21.889 -3.953 4.769 1.00 0.00 N ATOM 0 H ARG B 20 -15.298 -7.738 1.819 1.00 0.00 H new ATOM 0 HA ARG B 20 -17.612 -8.622 3.269 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -16.720 -6.257 3.074 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -17.276 -6.222 1.412 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -19.620 -6.866 2.340 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -18.979 -6.501 3.929 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -18.340 -4.200 3.141 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -18.988 -4.565 1.554 1.00 0.00 H new ATOM 0 HE ARG B 20 -21.202 -4.251 2.407 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -18.791 -4.673 4.904 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -19.915 -4.328 6.222 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -22.639 -3.814 4.092 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -22.075 -3.846 5.766 1.00 0.00 H new ATOM 1801 N GLU B 21 -17.834 -8.573 -0.020 1.00 0.00 N ATOM 1802 CA GLU B 21 -18.667 -9.089 -1.146 1.00 0.00 C ATOM 1803 C GLU B 21 -17.772 -9.334 -2.367 1.00 0.00 C ATOM 1804 O GLU B 21 -16.719 -8.742 -2.505 1.00 0.00 O ATOM 1805 CB GLU B 21 -19.773 -8.069 -1.485 1.00 0.00 C ATOM 1806 CG GLU B 21 -19.306 -6.656 -1.125 1.00 0.00 C ATOM 1807 CD GLU B 21 -20.294 -5.634 -1.690 1.00 0.00 C ATOM 1808 OE1 GLU B 21 -20.140 -5.265 -2.843 1.00 0.00 O ATOM 1809 OE2 GLU B 21 -21.188 -5.239 -0.960 1.00 0.00 O ATOM 0 H GLU B 21 -16.966 -8.114 -0.296 1.00 0.00 H new ATOM 0 HA GLU B 21 -19.138 -10.028 -0.856 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -20.016 -8.122 -2.546 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -20.684 -8.311 -0.937 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -19.235 -6.549 -0.043 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -18.310 -6.477 -1.529 1.00 0.00 H new ATOM 1816 N GLY B 22 -18.186 -10.209 -3.249 1.00 0.00 N ATOM 1817 CA GLY B 22 -17.372 -10.512 -4.468 1.00 0.00 C ATOM 1818 C GLY B 22 -16.646 -11.842 -4.280 1.00 0.00 C ATOM 1819 O GLY B 22 -16.998 -12.637 -3.432 1.00 0.00 O ATOM 0 H GLY B 22 -19.060 -10.731 -3.177 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -18.016 -10.559 -5.346 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -16.651 -9.714 -4.644 1.00 0.00 H new ATOM 1823 N ASP B 23 -15.638 -12.093 -5.070 1.00 0.00 N ATOM 1824 CA ASP B 23 -14.892 -13.377 -4.939 1.00 0.00 C ATOM 1825 C ASP B 23 -14.575 -13.635 -3.464 1.00 0.00 C ATOM 1826 O ASP B 23 -15.257 -14.388 -2.799 1.00 0.00 O ATOM 1827 CB ASP B 23 -13.593 -13.296 -5.743 1.00 0.00 C ATOM 1828 CG ASP B 23 -13.922 -13.248 -7.236 1.00 0.00 C ATOM 1829 OD1 ASP B 23 -14.253 -12.175 -7.716 1.00 0.00 O ATOM 1830 OD2 ASP B 23 -13.842 -14.285 -7.874 1.00 0.00 O ATOM 0 H ASP B 23 -15.299 -11.466 -5.799 1.00 0.00 H new ATOM 0 HA ASP B 23 -15.502 -14.195 -5.323 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -13.029 -12.409 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -12.963 -14.159 -5.526 1.00 0.00 H new ATOM 1835 N LYS B 24 -13.552 -13.014 -2.942 1.00 0.00 N ATOM 1836 CA LYS B 24 -13.211 -13.226 -1.506 1.00 0.00 C ATOM 1837 C LYS B 24 -11.989 -12.369 -1.142 1.00 0.00 C ATOM 1838 O LYS B 24 -11.615 -12.272 0.009 1.00 0.00 O ATOM 1839 CB LYS B 24 -12.914 -14.734 -1.259 1.00 0.00 C ATOM 1840 CG LYS B 24 -13.848 -15.311 -0.181 1.00 0.00 C ATOM 1841 CD LYS B 24 -13.426 -14.793 1.198 1.00 0.00 C ATOM 1842 CE LYS B 24 -14.491 -15.165 2.231 1.00 0.00 C ATOM 1843 NZ LYS B 24 -14.074 -14.670 3.575 1.00 0.00 N ATOM 0 H LYS B 24 -12.940 -12.372 -3.445 1.00 0.00 H new ATOM 0 HA LYS B 24 -14.050 -12.928 -0.877 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -13.039 -15.290 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -11.876 -14.858 -0.950 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -14.879 -15.024 -0.388 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -13.810 -16.400 -0.198 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -12.465 -15.222 1.481 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -13.296 -13.711 1.168 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -15.451 -14.729 1.953 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -14.627 -16.246 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -14.798 -14.923 4.278 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -13.167 -15.106 3.840 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -13.966 -13.636 3.546 1.00 0.00 H new ATOM 1857 N HIS B 25 -11.368 -11.738 -2.107 1.00 0.00 N ATOM 1858 CA HIS B 25 -10.177 -10.891 -1.789 1.00 0.00 C ATOM 1859 C HIS B 25 -10.017 -9.778 -2.829 1.00 0.00 C ATOM 1860 O HIS B 25 -8.931 -9.532 -3.315 1.00 0.00 O ATOM 1861 CB HIS B 25 -8.907 -11.757 -1.769 1.00 0.00 C ATOM 1862 CG HIS B 25 -9.198 -13.102 -1.151 1.00 0.00 C ATOM 1863 ND1 HIS B 25 -9.429 -13.265 0.211 1.00 0.00 N ATOM 1864 CD2 HIS B 25 -9.276 -14.361 -1.696 1.00 0.00 C ATOM 1865 CE1 HIS B 25 -9.630 -14.578 0.434 1.00 0.00 C ATOM 1866 NE2 HIS B 25 -9.546 -15.285 -0.695 1.00 0.00 N ATOM 0 H HIS B 25 -11.631 -11.771 -3.092 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.327 -10.441 -0.808 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -8.533 -11.889 -2.784 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -8.123 -11.252 -1.204 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -9.147 -14.596 -2.742 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.834 -15.005 1.405 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -9.657 -16.293 -0.801 1.00 0.00 H new ATOM 1874 N LYS B 26 -11.082 -9.087 -3.158 1.00 0.00 N ATOM 1875 CA LYS B 26 -10.989 -7.968 -4.147 1.00 0.00 C ATOM 1876 C LYS B 26 -11.749 -6.767 -3.580 1.00 0.00 C ATOM 1877 O LYS B 26 -12.735 -6.915 -2.888 1.00 0.00 O ATOM 1878 CB LYS B 26 -11.608 -8.399 -5.486 1.00 0.00 C ATOM 1879 CG LYS B 26 -11.142 -7.458 -6.614 1.00 0.00 C ATOM 1880 CD LYS B 26 -11.396 -8.108 -7.989 1.00 0.00 C ATOM 1881 CE LYS B 26 -10.214 -9.002 -8.383 1.00 0.00 C ATOM 1882 NZ LYS B 26 -9.089 -8.150 -8.859 1.00 0.00 N ATOM 0 H LYS B 26 -12.016 -9.251 -2.782 1.00 0.00 H new ATOM 0 HA LYS B 26 -9.946 -7.704 -4.321 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.319 -9.425 -5.715 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.696 -8.383 -5.415 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -11.674 -6.509 -6.549 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.081 -7.237 -6.498 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -12.312 -8.698 -7.956 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -11.542 -7.334 -8.743 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -9.896 -9.601 -7.530 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.515 -9.698 -9.166 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -8.195 -8.501 -8.460 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -9.042 -8.185 -9.897 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -9.243 -7.168 -8.552 1.00 0.00 H new ATOM 1896 N LEU B 27 -11.291 -5.579 -3.861 1.00 0.00 N ATOM 1897 CA LEU B 27 -11.967 -4.358 -3.324 1.00 0.00 C ATOM 1898 C LEU B 27 -13.095 -3.921 -4.267 1.00 0.00 C ATOM 1899 O LEU B 27 -12.890 -3.704 -5.446 1.00 0.00 O ATOM 1900 CB LEU B 27 -10.922 -3.235 -3.210 1.00 0.00 C ATOM 1901 CG LEU B 27 -11.443 -2.057 -2.349 1.00 0.00 C ATOM 1902 CD1 LEU B 27 -10.254 -1.233 -1.837 1.00 0.00 C ATOM 1903 CD2 LEU B 27 -12.359 -1.141 -3.182 1.00 0.00 C ATOM 0 H LEU B 27 -10.473 -5.397 -4.443 1.00 0.00 H new ATOM 0 HA LEU B 27 -12.397 -4.574 -2.346 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -10.007 -3.632 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -10.666 -2.873 -4.206 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.010 -2.465 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -10.620 -0.404 -1.231 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -9.606 -1.867 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -9.690 -0.842 -2.684 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -12.715 -0.320 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -11.801 -0.740 -4.028 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -13.211 -1.714 -3.548 1.00 0.00 H new ATOM 1915 N LYS B 28 -14.281 -3.761 -3.731 1.00 0.00 N ATOM 1916 CA LYS B 28 -15.454 -3.306 -4.547 1.00 0.00 C ATOM 1917 C LYS B 28 -15.794 -1.862 -4.154 1.00 0.00 C ATOM 1918 O LYS B 28 -15.603 -1.465 -3.023 1.00 0.00 O ATOM 1919 CB LYS B 28 -16.664 -4.197 -4.244 1.00 0.00 C ATOM 1920 CG LYS B 28 -16.567 -5.505 -5.031 1.00 0.00 C ATOM 1921 CD LYS B 28 -17.761 -6.394 -4.670 1.00 0.00 C ATOM 1922 CE LYS B 28 -17.947 -7.470 -5.738 1.00 0.00 C ATOM 1923 NZ LYS B 28 -16.614 -7.914 -6.234 1.00 0.00 N ATOM 0 H LYS B 28 -14.490 -3.929 -2.747 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.211 -3.366 -5.608 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -16.710 -4.409 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -17.584 -3.674 -4.505 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -16.560 -5.301 -6.102 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -15.633 -6.016 -4.798 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -17.599 -6.858 -3.697 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -18.664 -5.790 -4.588 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -18.494 -8.317 -5.324 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -18.542 -7.079 -6.563 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -16.702 -8.853 -6.672 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -16.262 -7.235 -6.938 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.947 -7.964 -5.438 1.00 0.00 H new ATOM 1937 N LYS B 29 -16.311 -1.073 -5.066 1.00 0.00 N ATOM 1938 CA LYS B 29 -16.665 0.340 -4.716 1.00 0.00 C ATOM 1939 C LYS B 29 -17.374 0.372 -3.359 1.00 0.00 C ATOM 1940 O LYS B 29 -17.037 1.151 -2.488 1.00 0.00 O ATOM 1941 CB LYS B 29 -17.600 0.930 -5.781 1.00 0.00 C ATOM 1942 CG LYS B 29 -16.846 1.145 -7.112 1.00 0.00 C ATOM 1943 CD LYS B 29 -17.481 2.308 -7.891 1.00 0.00 C ATOM 1944 CE LYS B 29 -17.103 2.215 -9.371 1.00 0.00 C ATOM 1945 NZ LYS B 29 -17.664 0.960 -9.947 1.00 0.00 N ATOM 0 H LYS B 29 -16.502 -1.343 -6.031 1.00 0.00 H new ATOM 0 HA LYS B 29 -15.749 0.929 -4.671 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.446 0.261 -5.940 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.006 1.879 -5.430 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.796 1.359 -6.915 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.879 0.234 -7.710 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -18.565 2.281 -7.782 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.143 3.259 -7.480 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -17.488 3.080 -9.911 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -16.019 2.226 -9.482 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -18.204 1.184 -10.807 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -16.888 0.310 -10.185 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -18.292 0.509 -9.251 1.00 0.00 H new ATOM 1959 N SER B 30 -18.349 -0.477 -3.170 1.00 0.00 N ATOM 1960 CA SER B 30 -19.073 -0.504 -1.866 1.00 0.00 C ATOM 1961 C SER B 30 -18.055 -0.532 -0.720 1.00 0.00 C ATOM 1962 O SER B 30 -18.391 -0.326 0.424 1.00 0.00 O ATOM 1963 CB SER B 30 -19.957 -1.750 -1.792 1.00 0.00 C ATOM 1964 OG SER B 30 -20.650 -1.909 -3.023 1.00 0.00 O ATOM 0 H SER B 30 -18.675 -1.152 -3.862 1.00 0.00 H new ATOM 0 HA SER B 30 -19.697 0.386 -1.781 1.00 0.00 H new ATOM 0 HB2 SER B 30 -19.348 -2.631 -1.588 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.668 -1.657 -0.971 1.00 0.00 H new ATOM 0 HG SER B 30 -21.216 -2.708 -2.979 1.00 0.00 H new ATOM 1970 N GLU B 31 -16.806 -0.771 -1.028 1.00 0.00 N ATOM 1971 CA GLU B 31 -15.753 -0.800 0.035 1.00 0.00 C ATOM 1972 C GLU B 31 -15.012 0.529 0.048 1.00 0.00 C ATOM 1973 O GLU B 31 -14.732 1.075 1.088 1.00 0.00 O ATOM 1974 CB GLU B 31 -14.756 -1.921 -0.251 1.00 0.00 C ATOM 1975 CG GLU B 31 -15.498 -3.249 -0.399 1.00 0.00 C ATOM 1976 CD GLU B 31 -14.487 -4.363 -0.666 1.00 0.00 C ATOM 1977 OE1 GLU B 31 -13.378 -4.257 -0.172 1.00 0.00 O ATOM 1978 OE2 GLU B 31 -14.839 -5.302 -1.362 1.00 0.00 O ATOM 0 H GLU B 31 -16.468 -0.948 -1.974 1.00 0.00 H new ATOM 0 HA GLU B 31 -16.227 -0.973 1.001 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -14.200 -1.701 -1.162 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -14.029 -1.988 0.558 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -16.065 -3.465 0.507 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -16.216 -3.189 -1.217 1.00 0.00 H new ATOM 1985 N LEU B 32 -14.687 1.053 -1.095 1.00 0.00 N ATOM 1986 CA LEU B 32 -13.955 2.346 -1.126 1.00 0.00 C ATOM 1987 C LEU B 32 -14.843 3.437 -0.515 1.00 0.00 C ATOM 1988 O LEU B 32 -14.433 4.152 0.377 1.00 0.00 O ATOM 1989 CB LEU B 32 -13.574 2.675 -2.594 1.00 0.00 C ATOM 1990 CG LEU B 32 -12.097 3.099 -2.713 1.00 0.00 C ATOM 1991 CD1 LEU B 32 -11.674 3.082 -4.185 1.00 0.00 C ATOM 1992 CD2 LEU B 32 -11.926 4.515 -2.161 1.00 0.00 C ATOM 0 H LEU B 32 -14.895 0.645 -2.007 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.037 2.287 -0.541 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -13.755 1.803 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -14.214 3.475 -2.967 1.00 0.00 H new ATOM 0 HG LEU B 32 -11.478 2.404 -2.145 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.629 3.382 -4.267 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -11.795 2.076 -4.587 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -12.296 3.776 -4.750 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -10.881 4.815 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -12.549 5.205 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.226 4.536 -1.113 1.00 0.00 H new ATOM 2004 N LYS B 33 -16.054 3.557 -0.969 1.00 0.00 N ATOM 2005 CA LYS B 33 -16.964 4.581 -0.406 1.00 0.00 C ATOM 2006 C LYS B 33 -17.278 4.229 1.051 1.00 0.00 C ATOM 2007 O LYS B 33 -17.395 5.093 1.899 1.00 0.00 O ATOM 2008 CB LYS B 33 -18.240 4.563 -1.243 1.00 0.00 C ATOM 2009 CG LYS B 33 -19.109 5.792 -0.951 1.00 0.00 C ATOM 2010 CD LYS B 33 -20.555 5.512 -1.407 1.00 0.00 C ATOM 2011 CE LYS B 33 -21.350 4.857 -0.270 1.00 0.00 C ATOM 2012 NZ LYS B 33 -22.760 4.649 -0.705 1.00 0.00 N ATOM 0 H LYS B 33 -16.454 2.984 -1.712 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.511 5.572 -0.430 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -17.984 4.538 -2.302 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -18.805 3.655 -1.031 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -19.089 6.021 0.114 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -18.713 6.664 -1.472 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -21.036 6.443 -1.708 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -20.549 4.859 -2.280 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -20.898 3.903 0.002 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -21.322 5.488 0.618 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -23.299 4.205 0.066 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -23.189 5.566 -0.944 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -22.778 4.031 -1.541 1.00 0.00 H new ATOM 2026 N GLU B 34 -17.431 2.966 1.342 1.00 0.00 N ATOM 2027 CA GLU B 34 -17.755 2.566 2.746 1.00 0.00 C ATOM 2028 C GLU B 34 -16.488 2.621 3.598 1.00 0.00 C ATOM 2029 O GLU B 34 -16.530 2.939 4.770 1.00 0.00 O ATOM 2030 CB GLU B 34 -18.334 1.148 2.767 1.00 0.00 C ATOM 2031 CG GLU B 34 -18.833 0.804 4.176 1.00 0.00 C ATOM 2032 CD GLU B 34 -20.123 1.575 4.464 1.00 0.00 C ATOM 2033 OE1 GLU B 34 -21.014 1.531 3.632 1.00 0.00 O ATOM 2034 OE2 GLU B 34 -20.197 2.193 5.512 1.00 0.00 O ATOM 0 H GLU B 34 -17.347 2.198 0.676 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.495 3.255 3.153 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.154 1.071 2.053 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -17.573 0.431 2.457 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -19.012 -0.268 4.258 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -18.073 1.058 4.915 1.00 0.00 H new ATOM 2041 N LEU B 35 -15.366 2.316 3.021 1.00 0.00 N ATOM 2042 CA LEU B 35 -14.102 2.352 3.798 1.00 0.00 C ATOM 2043 C LEU B 35 -13.704 3.812 4.025 1.00 0.00 C ATOM 2044 O LEU B 35 -13.139 4.163 5.041 1.00 0.00 O ATOM 2045 CB LEU B 35 -13.005 1.627 3.011 1.00 0.00 C ATOM 2046 CG LEU B 35 -11.667 1.703 3.761 1.00 0.00 C ATOM 2047 CD1 LEU B 35 -11.808 1.130 5.177 1.00 0.00 C ATOM 2048 CD2 LEU B 35 -10.620 0.896 2.984 1.00 0.00 C ATOM 0 H LEU B 35 -15.268 2.043 2.043 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.237 1.858 4.760 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.286 0.585 2.860 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -12.901 2.075 2.023 1.00 0.00 H new ATOM 0 HG LEU B 35 -11.359 2.746 3.840 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -10.849 1.193 5.692 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -12.554 1.702 5.728 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -12.121 0.087 5.118 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -9.664 0.942 3.506 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -10.943 -0.142 2.909 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -10.507 1.314 1.984 1.00 0.00 H new ATOM 2060 N ILE B 36 -14.009 4.664 3.085 1.00 0.00 N ATOM 2061 CA ILE B 36 -13.666 6.105 3.241 1.00 0.00 C ATOM 2062 C ILE B 36 -14.510 6.679 4.377 1.00 0.00 C ATOM 2063 O ILE B 36 -14.068 7.507 5.148 1.00 0.00 O ATOM 2064 CB ILE B 36 -13.960 6.836 1.915 1.00 0.00 C ATOM 2065 CG1 ILE B 36 -12.825 6.558 0.928 1.00 0.00 C ATOM 2066 CG2 ILE B 36 -14.064 8.350 2.134 1.00 0.00 C ATOM 2067 CD1 ILE B 36 -13.253 6.978 -0.479 1.00 0.00 C ATOM 0 H ILE B 36 -14.482 4.423 2.214 1.00 0.00 H new ATOM 0 HA ILE B 36 -12.610 6.233 3.480 1.00 0.00 H new ATOM 0 HB ILE B 36 -14.910 6.472 1.523 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -11.930 7.104 1.225 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.570 5.498 0.940 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -14.272 8.842 1.184 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -14.871 8.562 2.836 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -13.124 8.725 2.538 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -12.443 6.779 -1.180 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -14.136 6.412 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -13.485 8.043 -0.486 1.00 0.00 H new ATOM 2079 N ASN B 37 -15.730 6.244 4.467 1.00 0.00 N ATOM 2080 CA ASN B 37 -16.645 6.748 5.530 1.00 0.00 C ATOM 2081 C ASN B 37 -16.347 6.079 6.887 1.00 0.00 C ATOM 2082 O ASN B 37 -16.730 6.585 7.922 1.00 0.00 O ATOM 2083 CB ASN B 37 -18.089 6.439 5.125 1.00 0.00 C ATOM 2084 CG ASN B 37 -19.041 6.844 6.251 1.00 0.00 C ATOM 2085 OD1 ASN B 37 -18.731 7.851 7.020 1.00 0.00 O flip ATOM 2086 ND2 ASN B 37 -20.078 6.239 6.430 1.00 0.00 N flip ATOM 0 H ASN B 37 -16.141 5.551 3.842 1.00 0.00 H new ATOM 0 HA ASN B 37 -16.495 7.822 5.638 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -18.343 6.976 4.211 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -18.197 5.376 4.910 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -20.320 5.452 5.828 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -20.708 6.518 7.182 1.00 0.00 H new ATOM 2093 N ASN B 38 -15.726 4.922 6.899 1.00 0.00 N ATOM 2094 CA ASN B 38 -15.486 4.215 8.206 1.00 0.00 C ATOM 2095 C ASN B 38 -14.106 4.521 8.820 1.00 0.00 C ATOM 2096 O ASN B 38 -14.003 4.723 10.015 1.00 0.00 O ATOM 2097 CB ASN B 38 -15.598 2.705 7.971 1.00 0.00 C ATOM 2098 CG ASN B 38 -15.819 1.988 9.305 1.00 0.00 C ATOM 2099 OD1 ASN B 38 -14.955 1.990 10.159 1.00 0.00 O ATOM 2100 ND2 ASN B 38 -16.947 1.370 9.521 1.00 0.00 N ATOM 0 H ASN B 38 -15.377 4.438 6.072 1.00 0.00 H new ATOM 0 HA ASN B 38 -16.236 4.574 8.911 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -16.425 2.494 7.293 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -14.691 2.334 7.494 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -17.103 0.889 10.407 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -17.673 1.368 8.804 1.00 0.00 H new ATOM 2107 N GLU B 39 -13.047 4.528 8.046 1.00 0.00 N ATOM 2108 CA GLU B 39 -11.678 4.787 8.625 1.00 0.00 C ATOM 2109 C GLU B 39 -11.053 6.018 7.976 1.00 0.00 C ATOM 2110 O GLU B 39 -10.595 6.920 8.649 1.00 0.00 O ATOM 2111 CB GLU B 39 -10.790 3.572 8.357 1.00 0.00 C ATOM 2112 CG GLU B 39 -11.422 2.337 9.003 1.00 0.00 C ATOM 2113 CD GLU B 39 -10.505 1.131 8.806 1.00 0.00 C ATOM 2114 OE1 GLU B 39 -9.765 1.126 7.836 1.00 0.00 O ATOM 2115 OE2 GLU B 39 -10.557 0.232 9.629 1.00 0.00 O ATOM 0 H GLU B 39 -13.065 4.366 7.039 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.769 4.961 9.697 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -10.677 3.419 7.284 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.792 3.739 8.762 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -11.585 2.513 10.066 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -12.398 2.141 8.559 1.00 0.00 H new ATOM 2122 N LEU B 40 -11.031 6.073 6.677 1.00 0.00 N ATOM 2123 CA LEU B 40 -10.435 7.261 6.001 1.00 0.00 C ATOM 2124 C LEU B 40 -11.469 8.389 6.043 1.00 0.00 C ATOM 2125 O LEU B 40 -11.408 9.335 5.285 1.00 0.00 O ATOM 2126 CB LEU B 40 -10.020 6.922 4.541 1.00 0.00 C ATOM 2127 CG LEU B 40 -10.001 5.399 4.300 1.00 0.00 C ATOM 2128 CD1 LEU B 40 -9.697 5.131 2.825 1.00 0.00 C ATOM 2129 CD2 LEU B 40 -8.919 4.726 5.165 1.00 0.00 C ATOM 0 H LEU B 40 -11.397 5.353 6.054 1.00 0.00 H new ATOM 0 HA LEU B 40 -9.526 7.573 6.516 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -10.714 7.393 3.845 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.033 7.337 4.336 1.00 0.00 H new ATOM 0 HG LEU B 40 -10.974 4.988 4.570 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -9.682 4.056 2.646 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -10.467 5.591 2.205 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.725 5.555 2.571 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -8.922 3.652 4.980 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -7.942 5.136 4.909 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -9.127 4.914 6.218 1.00 0.00 H new ATOM 2141 N SER B 41 -12.405 8.304 6.954 1.00 0.00 N ATOM 2142 CA SER B 41 -13.426 9.378 7.075 1.00 0.00 C ATOM 2143 C SER B 41 -12.805 10.550 7.842 1.00 0.00 C ATOM 2144 O SER B 41 -13.290 11.662 7.796 1.00 0.00 O ATOM 2145 CB SER B 41 -14.647 8.833 7.836 1.00 0.00 C ATOM 2146 OG SER B 41 -14.647 9.335 9.167 1.00 0.00 O ATOM 0 H SER B 41 -12.503 7.536 7.618 1.00 0.00 H new ATOM 0 HA SER B 41 -13.748 9.714 6.089 1.00 0.00 H new ATOM 0 HB2 SER B 41 -15.565 9.126 7.327 1.00 0.00 H new ATOM 0 HB3 SER B 41 -14.623 7.743 7.848 1.00 0.00 H new ATOM 0 HG SER B 41 -13.815 9.075 9.615 1.00 0.00 H new ATOM 2152 N HIS B 42 -11.722 10.306 8.535 1.00 0.00 N ATOM 2153 CA HIS B 42 -11.046 11.398 9.294 1.00 0.00 C ATOM 2154 C HIS B 42 -10.023 12.063 8.374 1.00 0.00 C ATOM 2155 O HIS B 42 -9.658 13.208 8.551 1.00 0.00 O ATOM 2156 CB HIS B 42 -10.325 10.809 10.510 1.00 0.00 C ATOM 2157 CG HIS B 42 -11.326 10.439 11.571 1.00 0.00 C ATOM 2158 ND1 HIS B 42 -12.625 10.047 11.267 1.00 0.00 N ATOM 2159 CD2 HIS B 42 -11.230 10.389 12.939 1.00 0.00 C ATOM 2160 CE1 HIS B 42 -13.250 9.782 12.430 1.00 0.00 C ATOM 2161 NE2 HIS B 42 -12.444 9.975 13.476 1.00 0.00 N ATOM 0 H HIS B 42 -11.276 9.392 8.607 1.00 0.00 H new ATOM 0 HA HIS B 42 -11.782 12.127 9.633 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -9.754 9.929 10.214 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -9.613 11.532 10.907 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -10.347 10.634 13.511 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -14.276 9.454 12.507 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -12.671 9.846 14.462 1.00 0.00 H new ATOM 2170 N PHE B 43 -9.570 11.343 7.379 1.00 0.00 N ATOM 2171 CA PHE B 43 -8.576 11.909 6.418 1.00 0.00 C ATOM 2172 C PHE B 43 -9.321 12.289 5.141 1.00 0.00 C ATOM 2173 O PHE B 43 -9.282 13.420 4.700 1.00 0.00 O ATOM 2174 CB PHE B 43 -7.514 10.852 6.092 1.00 0.00 C ATOM 2175 CG PHE B 43 -6.526 10.755 7.233 1.00 0.00 C ATOM 2176 CD1 PHE B 43 -5.573 11.763 7.419 1.00 0.00 C ATOM 2177 CD2 PHE B 43 -6.562 9.659 8.105 1.00 0.00 C ATOM 2178 CE1 PHE B 43 -4.657 11.675 8.474 1.00 0.00 C ATOM 2179 CE2 PHE B 43 -5.648 9.572 9.157 1.00 0.00 C ATOM 2180 CZ PHE B 43 -4.694 10.579 9.343 1.00 0.00 C ATOM 0 H PHE B 43 -9.849 10.380 7.190 1.00 0.00 H new ATOM 0 HA PHE B 43 -8.085 12.781 6.850 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -7.988 9.885 5.926 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -6.995 11.116 5.170 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -5.544 12.609 6.748 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -7.297 8.881 7.963 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -3.922 12.453 8.617 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -5.677 8.726 9.828 1.00 0.00 H new ATOM 0 HZ PHE B 43 -3.987 10.510 10.157 1.00 0.00 H new ATOM 2190 N LEU B 44 -10.030 11.357 4.556 1.00 0.00 N ATOM 2191 CA LEU B 44 -10.803 11.675 3.323 1.00 0.00 C ATOM 2192 C LEU B 44 -12.213 12.105 3.739 1.00 0.00 C ATOM 2193 O LEU B 44 -12.863 11.445 4.525 1.00 0.00 O ATOM 2194 CB LEU B 44 -10.890 10.436 2.409 1.00 0.00 C ATOM 2195 CG LEU B 44 -9.656 10.346 1.496 1.00 0.00 C ATOM 2196 CD1 LEU B 44 -9.634 11.512 0.483 1.00 0.00 C ATOM 2197 CD2 LEU B 44 -8.389 10.370 2.355 1.00 0.00 C ATOM 0 H LEU B 44 -10.105 10.393 4.880 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.306 12.474 2.773 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -10.965 9.534 3.017 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.794 10.488 1.803 1.00 0.00 H new ATOM 0 HG LEU B 44 -9.700 9.413 0.934 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -8.752 11.426 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -10.531 11.474 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -9.604 12.460 1.020 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -7.512 10.306 1.711 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.354 11.298 2.926 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -8.398 9.523 3.041 1.00 0.00 H new ATOM 2209 N GLU B 45 -12.693 13.202 3.223 1.00 0.00 N ATOM 2210 CA GLU B 45 -14.060 13.652 3.601 1.00 0.00 C ATOM 2211 C GLU B 45 -15.057 12.552 3.239 1.00 0.00 C ATOM 2212 O GLU B 45 -14.852 11.802 2.305 1.00 0.00 O ATOM 2213 CB GLU B 45 -14.406 14.936 2.842 1.00 0.00 C ATOM 2214 CG GLU B 45 -15.697 15.532 3.408 1.00 0.00 C ATOM 2215 CD GLU B 45 -16.133 16.719 2.547 1.00 0.00 C ATOM 2216 OE1 GLU B 45 -16.382 16.513 1.370 1.00 0.00 O ATOM 2217 OE2 GLU B 45 -16.215 17.815 3.079 1.00 0.00 O ATOM 0 H GLU B 45 -12.202 13.802 2.561 1.00 0.00 H new ATOM 0 HA GLU B 45 -14.104 13.851 4.672 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -13.591 15.655 2.932 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -14.527 14.722 1.780 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -16.481 14.775 3.427 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -15.540 15.854 4.437 1.00 0.00 H new ATOM 2224 N GLU B 46 -16.137 12.444 3.962 1.00 0.00 N ATOM 2225 CA GLU B 46 -17.135 11.387 3.641 1.00 0.00 C ATOM 2226 C GLU B 46 -17.779 11.705 2.294 1.00 0.00 C ATOM 2227 O GLU B 46 -18.675 12.520 2.202 1.00 0.00 O ATOM 2228 CB GLU B 46 -18.214 11.347 4.726 1.00 0.00 C ATOM 2229 CG GLU B 46 -19.044 10.069 4.573 1.00 0.00 C ATOM 2230 CD GLU B 46 -20.326 10.188 5.399 1.00 0.00 C ATOM 2231 OE1 GLU B 46 -20.296 9.814 6.561 1.00 0.00 O ATOM 2232 OE2 GLU B 46 -21.317 10.651 4.858 1.00 0.00 O ATOM 0 H GLU B 46 -16.371 13.039 4.757 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.639 10.417 3.595 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -17.753 11.378 5.713 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -18.858 12.223 4.647 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -19.289 9.906 3.524 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -18.466 9.206 4.903 1.00 0.00 H new ATOM 2239 N ILE B 47 -17.328 11.075 1.245 1.00 0.00 N ATOM 2240 CA ILE B 47 -17.920 11.356 -0.090 1.00 0.00 C ATOM 2241 C ILE B 47 -19.387 10.914 -0.102 1.00 0.00 C ATOM 2242 O ILE B 47 -19.744 9.893 0.451 1.00 0.00 O ATOM 2243 CB ILE B 47 -17.130 10.616 -1.183 1.00 0.00 C ATOM 2244 CG1 ILE B 47 -17.119 9.105 -0.922 1.00 0.00 C ATOM 2245 CG2 ILE B 47 -15.685 11.112 -1.191 1.00 0.00 C ATOM 2246 CD1 ILE B 47 -16.548 8.385 -2.149 1.00 0.00 C ATOM 0 H ILE B 47 -16.580 10.382 1.255 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.869 12.426 -0.290 1.00 0.00 H new ATOM 0 HB ILE B 47 -17.611 10.813 -2.141 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -16.517 8.881 -0.041 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -18.130 8.752 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -15.125 10.588 -1.965 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -15.669 12.183 -1.393 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -15.229 10.919 -0.220 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -16.538 7.310 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -17.168 8.601 -3.019 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -15.531 8.731 -2.333 1.00 0.00 H new ATOM 2258 N LYS B 48 -20.240 11.682 -0.729 1.00 0.00 N ATOM 2259 CA LYS B 48 -21.690 11.323 -0.794 1.00 0.00 C ATOM 2260 C LYS B 48 -21.998 10.842 -2.212 1.00 0.00 C ATOM 2261 O LYS B 48 -23.022 10.243 -2.473 1.00 0.00 O ATOM 2262 CB LYS B 48 -22.539 12.561 -0.475 1.00 0.00 C ATOM 2263 CG LYS B 48 -22.139 13.131 0.891 1.00 0.00 C ATOM 2264 CD LYS B 48 -22.676 14.560 1.029 1.00 0.00 C ATOM 2265 CE LYS B 48 -22.631 14.987 2.498 1.00 0.00 C ATOM 2266 NZ LYS B 48 -23.583 14.157 3.288 1.00 0.00 N ATOM 0 H LYS B 48 -19.993 12.550 -1.203 1.00 0.00 H new ATOM 0 HA LYS B 48 -21.920 10.540 -0.071 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -22.401 13.316 -1.248 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -23.596 12.297 -0.473 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -22.537 12.504 1.689 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -21.054 13.128 0.994 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -22.080 15.243 0.423 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -23.699 14.612 0.656 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -21.620 14.872 2.890 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -22.890 16.042 2.589 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -24.231 14.778 3.814 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -24.131 13.550 2.645 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -23.053 13.563 3.957 1.00 0.00 H new ATOM 2280 N GLU B 49 -21.103 11.114 -3.129 1.00 0.00 N ATOM 2281 CA GLU B 49 -21.294 10.699 -4.554 1.00 0.00 C ATOM 2282 C GLU B 49 -20.117 9.821 -4.980 1.00 0.00 C ATOM 2283 O GLU B 49 -18.974 10.115 -4.691 1.00 0.00 O ATOM 2284 CB GLU B 49 -21.337 11.945 -5.443 1.00 0.00 C ATOM 2285 CG GLU B 49 -22.616 12.736 -5.162 1.00 0.00 C ATOM 2286 CD GLU B 49 -22.597 14.038 -5.965 1.00 0.00 C ATOM 2287 OE1 GLU B 49 -21.550 14.666 -6.016 1.00 0.00 O ATOM 2288 OE2 GLU B 49 -23.628 14.387 -6.514 1.00 0.00 O ATOM 0 H GLU B 49 -20.233 11.615 -2.947 1.00 0.00 H new ATOM 0 HA GLU B 49 -22.227 10.144 -4.654 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -20.463 12.569 -5.254 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -21.300 11.656 -6.493 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -23.490 12.143 -5.431 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -22.695 12.954 -4.097 1.00 0.00 H new ATOM 2295 N GLN B 50 -20.383 8.744 -5.665 1.00 0.00 N ATOM 2296 CA GLN B 50 -19.276 7.850 -6.107 1.00 0.00 C ATOM 2297 C GLN B 50 -18.463 8.542 -7.205 1.00 0.00 C ATOM 2298 O GLN B 50 -17.362 8.143 -7.521 1.00 0.00 O ATOM 2299 CB GLN B 50 -19.866 6.551 -6.664 1.00 0.00 C ATOM 2300 CG GLN B 50 -20.616 5.806 -5.559 1.00 0.00 C ATOM 2301 CD GLN B 50 -20.910 4.375 -6.018 1.00 0.00 C ATOM 2302 OE1 GLN B 50 -20.956 3.465 -5.214 1.00 0.00 O ATOM 2303 NE2 GLN B 50 -21.116 4.138 -7.286 1.00 0.00 N ATOM 0 H GLN B 50 -21.319 8.444 -5.938 1.00 0.00 H new ATOM 0 HA GLN B 50 -18.629 7.629 -5.258 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -20.543 6.773 -7.489 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -19.071 5.922 -7.064 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -20.020 5.792 -4.646 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -21.547 6.323 -5.324 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -21.077 4.902 -7.961 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -21.316 3.189 -7.602 1.00 0.00 H new ATOM 2312 N GLU B 51 -19.004 9.560 -7.809 1.00 0.00 N ATOM 2313 CA GLU B 51 -18.274 10.250 -8.905 1.00 0.00 C ATOM 2314 C GLU B 51 -16.835 10.537 -8.506 1.00 0.00 C ATOM 2315 O GLU B 51 -15.938 10.447 -9.317 1.00 0.00 O ATOM 2316 CB GLU B 51 -18.984 11.559 -9.256 1.00 0.00 C ATOM 2317 CG GLU B 51 -20.292 11.249 -9.986 1.00 0.00 C ATOM 2318 CD GLU B 51 -20.952 12.557 -10.426 1.00 0.00 C ATOM 2319 OE1 GLU B 51 -20.229 13.482 -10.757 1.00 0.00 O ATOM 2320 OE2 GLU B 51 -22.172 12.611 -10.427 1.00 0.00 O ATOM 0 H GLU B 51 -19.923 9.945 -7.590 1.00 0.00 H new ATOM 0 HA GLU B 51 -18.264 9.594 -9.776 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -19.187 12.129 -8.350 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -18.342 12.176 -9.884 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -20.096 10.618 -10.853 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -20.963 10.693 -9.332 1.00 0.00 H new ATOM 2327 N VAL B 52 -16.586 10.857 -7.274 1.00 0.00 N ATOM 2328 CA VAL B 52 -15.179 11.112 -6.871 1.00 0.00 C ATOM 2329 C VAL B 52 -14.503 9.769 -6.709 1.00 0.00 C ATOM 2330 O VAL B 52 -13.359 9.587 -7.071 1.00 0.00 O ATOM 2331 CB VAL B 52 -15.129 11.910 -5.562 1.00 0.00 C ATOM 2332 CG1 VAL B 52 -15.367 13.392 -5.859 1.00 0.00 C ATOM 2333 CG2 VAL B 52 -16.213 11.412 -4.605 1.00 0.00 C ATOM 0 H VAL B 52 -17.283 10.953 -6.536 1.00 0.00 H new ATOM 0 HA VAL B 52 -14.666 11.705 -7.628 1.00 0.00 H new ATOM 0 HB VAL B 52 -14.150 11.776 -5.102 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -15.332 13.960 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -14.594 13.756 -6.536 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -16.345 13.517 -6.324 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -16.171 11.984 -3.678 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -17.192 11.540 -5.066 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -16.050 10.356 -4.388 1.00 0.00 H new ATOM 2343 N VAL B 53 -15.207 8.813 -6.194 1.00 0.00 N ATOM 2344 CA VAL B 53 -14.610 7.472 -6.044 1.00 0.00 C ATOM 2345 C VAL B 53 -14.344 6.955 -7.457 1.00 0.00 C ATOM 2346 O VAL B 53 -13.487 6.131 -7.684 1.00 0.00 O ATOM 2347 CB VAL B 53 -15.582 6.567 -5.233 1.00 0.00 C ATOM 2348 CG1 VAL B 53 -16.262 5.512 -6.120 1.00 0.00 C ATOM 2349 CG2 VAL B 53 -14.824 5.842 -4.119 1.00 0.00 C ATOM 0 H VAL B 53 -16.170 8.903 -5.871 1.00 0.00 H new ATOM 0 HA VAL B 53 -13.672 7.484 -5.490 1.00 0.00 H new ATOM 0 HB VAL B 53 -16.347 7.221 -4.815 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -16.931 4.903 -5.513 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -16.834 6.009 -6.903 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -15.503 4.875 -6.574 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -15.515 5.212 -3.559 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -14.041 5.222 -4.556 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -14.375 6.574 -3.448 1.00 0.00 H new ATOM 2359 N ASP B 54 -15.069 7.468 -8.414 1.00 0.00 N ATOM 2360 CA ASP B 54 -14.847 7.037 -9.818 1.00 0.00 C ATOM 2361 C ASP B 54 -13.601 7.750 -10.336 1.00 0.00 C ATOM 2362 O ASP B 54 -12.824 7.203 -11.092 1.00 0.00 O ATOM 2363 CB ASP B 54 -16.055 7.414 -10.677 1.00 0.00 C ATOM 2364 CG ASP B 54 -17.261 6.572 -10.259 1.00 0.00 C ATOM 2365 OD1 ASP B 54 -17.051 5.482 -9.755 1.00 0.00 O ATOM 2366 OD2 ASP B 54 -18.374 7.031 -10.452 1.00 0.00 O ATOM 0 H ASP B 54 -15.802 8.164 -8.282 1.00 0.00 H new ATOM 0 HA ASP B 54 -14.715 5.956 -9.866 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -16.280 8.474 -10.561 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -15.831 7.249 -11.731 1.00 0.00 H new ATOM 2371 N LYS B 55 -13.403 8.973 -9.918 1.00 0.00 N ATOM 2372 CA LYS B 55 -12.199 9.730 -10.369 1.00 0.00 C ATOM 2373 C LYS B 55 -10.968 9.175 -9.633 1.00 0.00 C ATOM 2374 O LYS B 55 -9.987 8.810 -10.250 1.00 0.00 O ATOM 2375 CB LYS B 55 -12.432 11.251 -10.108 1.00 0.00 C ATOM 2376 CG LYS B 55 -11.243 11.952 -9.409 1.00 0.00 C ATOM 2377 CD LYS B 55 -10.011 11.981 -10.333 1.00 0.00 C ATOM 2378 CE LYS B 55 -8.732 12.080 -9.495 1.00 0.00 C ATOM 2379 NZ LYS B 55 -8.938 13.057 -8.390 1.00 0.00 N ATOM 0 H LYS B 55 -14.022 9.479 -9.285 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.023 9.610 -11.438 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.627 11.748 -11.058 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -13.325 11.373 -9.495 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -11.523 12.969 -9.136 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -10.998 11.429 -8.484 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -9.985 11.081 -10.947 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -10.076 12.830 -11.014 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -8.475 11.102 -9.087 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -7.897 12.394 -10.122 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -8.017 13.420 -8.071 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -9.523 13.847 -8.730 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -9.418 12.587 -7.596 1.00 0.00 H new ATOM 2393 N VAL B 56 -11.006 9.101 -8.330 1.00 0.00 N ATOM 2394 CA VAL B 56 -9.830 8.563 -7.591 1.00 0.00 C ATOM 2395 C VAL B 56 -9.500 7.189 -8.169 1.00 0.00 C ATOM 2396 O VAL B 56 -8.351 6.840 -8.366 1.00 0.00 O ATOM 2397 CB VAL B 56 -10.167 8.485 -6.088 1.00 0.00 C ATOM 2398 CG1 VAL B 56 -10.915 7.187 -5.758 1.00 0.00 C ATOM 2399 CG2 VAL B 56 -8.882 8.547 -5.255 1.00 0.00 C ATOM 0 H VAL B 56 -11.794 9.388 -7.750 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.960 9.210 -7.701 1.00 0.00 H new ATOM 0 HB VAL B 56 -10.807 9.334 -5.845 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -11.140 7.158 -4.692 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -11.844 7.148 -6.326 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -10.293 6.332 -6.021 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -9.132 8.491 -4.196 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -8.236 7.710 -5.520 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -8.363 9.484 -5.456 1.00 0.00 H new ATOM 2409 N MET B 57 -10.507 6.420 -8.464 1.00 0.00 N ATOM 2410 CA MET B 57 -10.268 5.079 -9.055 1.00 0.00 C ATOM 2411 C MET B 57 -9.643 5.259 -10.441 1.00 0.00 C ATOM 2412 O MET B 57 -8.856 4.450 -10.890 1.00 0.00 O ATOM 2413 CB MET B 57 -11.606 4.342 -9.174 1.00 0.00 C ATOM 2414 CG MET B 57 -12.083 3.908 -7.781 1.00 0.00 C ATOM 2415 SD MET B 57 -11.345 2.306 -7.365 1.00 0.00 S ATOM 2416 CE MET B 57 -12.830 1.292 -7.577 1.00 0.00 C ATOM 0 H MET B 57 -11.487 6.663 -8.321 1.00 0.00 H new ATOM 0 HA MET B 57 -9.594 4.498 -8.425 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.349 4.990 -9.638 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.496 3.470 -9.819 1.00 0.00 H new ATOM 0 HG2 MET B 57 -11.801 4.655 -7.039 1.00 0.00 H new ATOM 0 HG3 MET B 57 -13.170 3.836 -7.763 1.00 0.00 H new ATOM 0 HE1 MET B 57 -12.542 0.250 -7.719 1.00 0.00 H new ATOM 0 HE2 MET B 57 -13.459 1.377 -6.691 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.385 1.637 -8.450 1.00 0.00 H new ATOM 2426 N GLU B 58 -9.978 6.326 -11.115 1.00 0.00 N ATOM 2427 CA GLU B 58 -9.397 6.572 -12.465 1.00 0.00 C ATOM 2428 C GLU B 58 -7.892 6.775 -12.333 1.00 0.00 C ATOM 2429 O GLU B 58 -7.117 6.330 -13.158 1.00 0.00 O ATOM 2430 CB GLU B 58 -10.027 7.831 -13.070 1.00 0.00 C ATOM 2431 CG GLU B 58 -9.749 7.877 -14.574 1.00 0.00 C ATOM 2432 CD GLU B 58 -10.466 9.081 -15.188 1.00 0.00 C ATOM 2433 OE1 GLU B 58 -10.232 10.184 -14.724 1.00 0.00 O ATOM 2434 OE2 GLU B 58 -11.239 8.879 -16.111 1.00 0.00 O ATOM 0 H GLU B 58 -10.630 7.039 -10.788 1.00 0.00 H new ATOM 0 HA GLU B 58 -9.598 5.718 -13.111 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -11.102 7.834 -12.889 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.620 8.720 -12.588 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -8.676 7.948 -14.754 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -10.092 6.956 -15.046 1.00 0.00 H new ATOM 2441 N THR B 59 -7.471 7.445 -11.300 1.00 0.00 N ATOM 2442 CA THR B 59 -6.018 7.679 -11.113 1.00 0.00 C ATOM 2443 C THR B 59 -5.371 6.427 -10.535 1.00 0.00 C ATOM 2444 O THR B 59 -4.212 6.153 -10.771 1.00 0.00 O ATOM 2445 CB THR B 59 -5.797 8.845 -10.150 1.00 0.00 C ATOM 2446 OG1 THR B 59 -6.345 10.032 -10.710 1.00 0.00 O ATOM 2447 CG2 THR B 59 -4.295 9.031 -9.919 1.00 0.00 C ATOM 0 H THR B 59 -8.072 7.841 -10.577 1.00 0.00 H new ATOM 0 HA THR B 59 -5.570 7.916 -12.078 1.00 0.00 H new ATOM 0 HB THR B 59 -6.288 8.635 -9.200 1.00 0.00 H new ATOM 0 HG1 THR B 59 -6.205 10.780 -10.092 1.00 0.00 H new ATOM 0 HG21 THR B 59 -4.133 9.862 -9.233 1.00 0.00 H new ATOM 0 HG22 THR B 59 -3.877 8.120 -9.491 1.00 0.00 H new ATOM 0 HG23 THR B 59 -3.804 9.244 -10.869 1.00 0.00 H new ATOM 2455 N LEU B 60 -6.102 5.670 -9.760 1.00 0.00 N ATOM 2456 CA LEU B 60 -5.503 4.441 -9.149 1.00 0.00 C ATOM 2457 C LEU B 60 -5.724 3.221 -10.049 1.00 0.00 C ATOM 2458 O LEU B 60 -4.830 2.420 -10.233 1.00 0.00 O ATOM 2459 CB LEU B 60 -6.149 4.188 -7.774 1.00 0.00 C ATOM 2460 CG LEU B 60 -5.362 4.898 -6.661 1.00 0.00 C ATOM 2461 CD1 LEU B 60 -3.928 4.325 -6.544 1.00 0.00 C ATOM 2462 CD2 LEU B 60 -5.311 6.404 -6.948 1.00 0.00 C ATOM 0 H LEU B 60 -7.079 5.845 -9.524 1.00 0.00 H new ATOM 0 HA LEU B 60 -4.430 4.597 -9.035 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -7.179 4.544 -7.780 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -6.183 3.117 -7.575 1.00 0.00 H new ATOM 0 HG LEU B 60 -5.870 4.728 -5.712 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -3.392 4.844 -5.749 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -3.979 3.261 -6.312 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -3.402 4.465 -7.488 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -4.753 6.906 -6.158 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -4.819 6.575 -7.905 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -6.325 6.802 -6.985 1.00 0.00 H new ATOM 2474 N ASP B 61 -6.891 3.048 -10.603 1.00 0.00 N ATOM 2475 CA ASP B 61 -7.120 1.855 -11.468 1.00 0.00 C ATOM 2476 C ASP B 61 -6.097 1.805 -12.593 1.00 0.00 C ATOM 2477 O ASP B 61 -6.136 2.574 -13.534 1.00 0.00 O ATOM 2478 CB ASP B 61 -8.523 1.905 -12.055 1.00 0.00 C ATOM 2479 CG ASP B 61 -9.550 1.932 -10.923 1.00 0.00 C ATOM 2480 OD1 ASP B 61 -9.149 2.137 -9.789 1.00 0.00 O ATOM 2481 OD2 ASP B 61 -10.722 1.745 -11.208 1.00 0.00 O ATOM 0 H ASP B 61 -7.690 3.673 -10.497 1.00 0.00 H new ATOM 0 HA ASP B 61 -7.012 0.959 -10.857 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -8.635 2.789 -12.682 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -8.693 1.038 -12.693 1.00 0.00 H new ATOM 2486 N GLU B 62 -5.188 0.880 -12.498 1.00 0.00 N ATOM 2487 CA GLU B 62 -4.150 0.729 -13.553 1.00 0.00 C ATOM 2488 C GLU B 62 -4.716 -0.164 -14.643 1.00 0.00 C ATOM 2489 O GLU B 62 -4.588 0.108 -15.820 1.00 0.00 O ATOM 2490 CB GLU B 62 -2.886 0.096 -12.959 1.00 0.00 C ATOM 2491 CG GLU B 62 -2.093 1.157 -12.187 1.00 0.00 C ATOM 2492 CD GLU B 62 -1.344 2.057 -13.173 1.00 0.00 C ATOM 2493 OE1 GLU B 62 -0.335 1.616 -13.699 1.00 0.00 O ATOM 2494 OE2 GLU B 62 -1.792 3.172 -13.386 1.00 0.00 O ATOM 0 H GLU B 62 -5.118 0.215 -11.728 1.00 0.00 H new ATOM 0 HA GLU B 62 -3.883 1.703 -13.963 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -3.156 -0.725 -12.295 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -2.271 -0.326 -13.754 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -2.767 1.755 -11.574 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -1.387 0.676 -11.509 1.00 0.00 H new ATOM 2501 N ASP B 63 -5.371 -1.216 -14.255 1.00 0.00 N ATOM 2502 CA ASP B 63 -5.982 -2.111 -15.261 1.00 0.00 C ATOM 2503 C ASP B 63 -7.285 -1.467 -15.724 1.00 0.00 C ATOM 2504 O ASP B 63 -7.977 -1.984 -16.578 1.00 0.00 O ATOM 2505 CB ASP B 63 -6.281 -3.472 -14.629 1.00 0.00 C ATOM 2506 CG ASP B 63 -7.086 -3.272 -13.343 1.00 0.00 C ATOM 2507 OD1 ASP B 63 -7.322 -2.129 -12.989 1.00 0.00 O ATOM 2508 OD2 ASP B 63 -7.452 -4.264 -12.736 1.00 0.00 O ATOM 0 H ASP B 63 -5.509 -1.493 -13.283 1.00 0.00 H new ATOM 0 HA ASP B 63 -5.304 -2.258 -16.102 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -6.840 -4.094 -15.328 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -5.350 -3.996 -14.410 1.00 0.00 H new ATOM 2513 N GLY B 64 -7.633 -0.336 -15.155 1.00 0.00 N ATOM 2514 CA GLY B 64 -8.902 0.327 -15.562 1.00 0.00 C ATOM 2515 C GLY B 64 -10.031 -0.678 -15.382 1.00 0.00 C ATOM 2516 O GLY B 64 -10.888 -0.833 -16.228 1.00 0.00 O ATOM 0 H GLY B 64 -7.096 0.148 -14.435 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -9.081 1.215 -14.955 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -8.845 0.656 -16.600 1.00 0.00 H new ATOM 2520 N ASP B 65 -10.017 -1.382 -14.282 1.00 0.00 N ATOM 2521 CA ASP B 65 -11.069 -2.412 -14.030 1.00 0.00 C ATOM 2522 C ASP B 65 -12.186 -1.822 -13.175 1.00 0.00 C ATOM 2523 O ASP B 65 -13.185 -2.465 -12.916 1.00 0.00 O ATOM 2524 CB ASP B 65 -10.443 -3.589 -13.281 1.00 0.00 C ATOM 2525 CG ASP B 65 -9.728 -3.069 -12.033 1.00 0.00 C ATOM 2526 OD1 ASP B 65 -9.613 -1.862 -11.901 1.00 0.00 O ATOM 2527 OD2 ASP B 65 -9.308 -3.886 -11.230 1.00 0.00 O ATOM 0 H ASP B 65 -9.320 -1.288 -13.543 1.00 0.00 H new ATOM 0 HA ASP B 65 -11.481 -2.743 -14.983 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -11.213 -4.308 -13.000 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -9.738 -4.113 -13.927 1.00 0.00 H new ATOM 2532 N GLY B 66 -12.028 -0.613 -12.714 1.00 0.00 N ATOM 2533 CA GLY B 66 -13.093 -0.018 -11.858 1.00 0.00 C ATOM 2534 C GLY B 66 -13.043 -0.711 -10.500 1.00 0.00 C ATOM 2535 O GLY B 66 -13.782 -0.391 -9.591 1.00 0.00 O ATOM 0 H GLY B 66 -11.219 -0.017 -12.889 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -12.937 1.055 -11.745 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -14.072 -0.151 -12.319 1.00 0.00 H new ATOM 2539 N GLU B 67 -12.149 -1.655 -10.364 1.00 0.00 N ATOM 2540 CA GLU B 67 -11.982 -2.395 -9.078 1.00 0.00 C ATOM 2541 C GLU B 67 -10.532 -2.213 -8.640 1.00 0.00 C ATOM 2542 O GLU B 67 -9.687 -1.868 -9.441 1.00 0.00 O ATOM 2543 CB GLU B 67 -12.271 -3.881 -9.295 1.00 0.00 C ATOM 2544 CG GLU B 67 -13.778 -4.096 -9.437 1.00 0.00 C ATOM 2545 CD GLU B 67 -14.069 -5.591 -9.569 1.00 0.00 C ATOM 2546 OE1 GLU B 67 -14.011 -6.089 -10.681 1.00 0.00 O ATOM 2547 OE2 GLU B 67 -14.344 -6.212 -8.555 1.00 0.00 O ATOM 0 H GLU B 67 -11.514 -1.950 -11.106 1.00 0.00 H new ATOM 0 HA GLU B 67 -12.669 -2.018 -8.321 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -11.757 -4.235 -10.189 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -11.888 -4.462 -8.456 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -14.298 -3.689 -8.570 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -14.151 -3.563 -10.312 1.00 0.00 H new ATOM 2554 N CYS B 68 -10.232 -2.417 -7.382 1.00 0.00 N ATOM 2555 CA CYS B 68 -8.824 -2.224 -6.904 1.00 0.00 C ATOM 2556 C CYS B 68 -8.312 -3.473 -6.186 1.00 0.00 C ATOM 2557 O CYS B 68 -8.566 -3.671 -5.014 1.00 0.00 O ATOM 2558 CB CYS B 68 -8.786 -1.036 -5.940 1.00 0.00 C ATOM 2559 SG CYS B 68 -8.907 0.508 -6.878 1.00 0.00 S ATOM 0 H CYS B 68 -10.897 -2.708 -6.665 1.00 0.00 H new ATOM 0 HA CYS B 68 -8.184 -2.037 -7.766 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -9.608 -1.106 -5.227 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -7.861 -1.052 -5.363 1.00 0.00 H new ATOM 0 HG CYS B 68 -10.125 0.959 -6.816 1.00 0.00 H new ATOM 2565 N ASP B 69 -7.598 -4.317 -6.889 1.00 0.00 N ATOM 2566 CA ASP B 69 -7.056 -5.554 -6.257 1.00 0.00 C ATOM 2567 C ASP B 69 -6.290 -5.167 -4.981 1.00 0.00 C ATOM 2568 O ASP B 69 -6.359 -4.046 -4.535 1.00 0.00 O ATOM 2569 CB ASP B 69 -6.125 -6.271 -7.246 1.00 0.00 C ATOM 2570 CG ASP B 69 -6.656 -6.088 -8.671 1.00 0.00 C ATOM 2571 OD1 ASP B 69 -6.808 -4.950 -9.084 1.00 0.00 O ATOM 2572 OD2 ASP B 69 -6.901 -7.089 -9.324 1.00 0.00 O ATOM 0 H ASP B 69 -7.368 -4.200 -7.876 1.00 0.00 H new ATOM 0 HA ASP B 69 -7.870 -6.230 -5.995 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -5.115 -5.869 -7.168 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -6.065 -7.332 -7.002 1.00 0.00 H new ATOM 2577 N PHE B 70 -5.573 -6.077 -4.377 1.00 0.00 N ATOM 2578 CA PHE B 70 -4.841 -5.733 -3.115 1.00 0.00 C ATOM 2579 C PHE B 70 -3.547 -4.940 -3.395 1.00 0.00 C ATOM 2580 O PHE B 70 -3.128 -4.136 -2.587 1.00 0.00 O ATOM 2581 CB PHE B 70 -4.502 -7.036 -2.352 1.00 0.00 C ATOM 2582 CG PHE B 70 -4.388 -8.198 -3.322 1.00 0.00 C ATOM 2583 CD1 PHE B 70 -3.316 -8.266 -4.220 1.00 0.00 C ATOM 2584 CD2 PHE B 70 -5.360 -9.208 -3.323 1.00 0.00 C ATOM 2585 CE1 PHE B 70 -3.217 -9.337 -5.117 1.00 0.00 C ATOM 2586 CE2 PHE B 70 -5.259 -10.279 -4.218 1.00 0.00 C ATOM 2587 CZ PHE B 70 -4.189 -10.343 -5.116 1.00 0.00 C ATOM 0 H PHE B 70 -5.461 -7.039 -4.697 1.00 0.00 H new ATOM 0 HA PHE B 70 -5.489 -5.098 -2.511 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.565 -6.914 -1.808 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.275 -7.245 -1.613 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -2.564 -7.491 -4.221 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -6.188 -9.160 -2.632 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -2.390 -9.386 -5.810 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -6.008 -11.057 -4.215 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.113 -11.168 -5.808 1.00 0.00 H new ATOM 2597 N GLN B 71 -2.897 -5.167 -4.501 1.00 0.00 N ATOM 2598 CA GLN B 71 -1.628 -4.440 -4.778 1.00 0.00 C ATOM 2599 C GLN B 71 -1.940 -3.003 -5.200 1.00 0.00 C ATOM 2600 O GLN B 71 -1.208 -2.072 -4.903 1.00 0.00 O ATOM 2601 CB GLN B 71 -0.847 -5.180 -5.884 1.00 0.00 C ATOM 2602 CG GLN B 71 -1.701 -5.319 -7.152 1.00 0.00 C ATOM 2603 CD GLN B 71 -1.679 -4.023 -7.973 1.00 0.00 C ATOM 2604 OE1 GLN B 71 -0.882 -3.043 -7.638 1.00 0.00 O flip ATOM 2605 NE2 GLN B 71 -2.401 -3.904 -8.943 1.00 0.00 N flip ATOM 0 H GLN B 71 -3.189 -5.824 -5.225 1.00 0.00 H new ATOM 0 HA GLN B 71 -1.014 -4.408 -3.878 1.00 0.00 H new ATOM 0 HB2 GLN B 71 0.069 -4.637 -6.115 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -0.551 -6.167 -5.529 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -1.327 -6.144 -7.758 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -2.727 -5.564 -6.879 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -3.026 -4.665 -9.210 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -2.382 -3.043 -9.490 1.00 0.00 H new ATOM 2614 N GLU B 72 -3.042 -2.805 -5.863 1.00 0.00 N ATOM 2615 CA GLU B 72 -3.431 -1.437 -6.294 1.00 0.00 C ATOM 2616 C GLU B 72 -4.204 -0.768 -5.156 1.00 0.00 C ATOM 2617 O GLU B 72 -4.029 0.400 -4.873 1.00 0.00 O ATOM 2618 CB GLU B 72 -4.304 -1.580 -7.548 1.00 0.00 C ATOM 2619 CG GLU B 72 -4.850 -0.226 -8.025 1.00 0.00 C ATOM 2620 CD GLU B 72 -5.922 -0.479 -9.080 1.00 0.00 C ATOM 2621 OE1 GLU B 72 -5.575 -0.968 -10.142 1.00 0.00 O ATOM 2622 OE2 GLU B 72 -7.074 -0.179 -8.811 1.00 0.00 O ATOM 0 H GLU B 72 -3.697 -3.541 -6.127 1.00 0.00 H new ATOM 0 HA GLU B 72 -2.562 -0.821 -6.526 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -3.720 -2.037 -8.347 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -5.136 -2.252 -7.336 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -5.268 0.330 -7.186 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -4.046 0.381 -8.441 1.00 0.00 H new ATOM 2629 N PHE B 73 -5.056 -1.502 -4.502 1.00 0.00 N ATOM 2630 CA PHE B 73 -5.843 -0.915 -3.380 1.00 0.00 C ATOM 2631 C PHE B 73 -4.889 -0.302 -2.366 1.00 0.00 C ATOM 2632 O PHE B 73 -5.126 0.762 -1.839 1.00 0.00 O ATOM 2633 CB PHE B 73 -6.675 -2.024 -2.731 1.00 0.00 C ATOM 2634 CG PHE B 73 -7.250 -1.611 -1.387 1.00 0.00 C ATOM 2635 CD1 PHE B 73 -7.600 -0.277 -1.111 1.00 0.00 C ATOM 2636 CD2 PHE B 73 -7.455 -2.598 -0.415 1.00 0.00 C ATOM 2637 CE1 PHE B 73 -8.147 0.056 0.134 1.00 0.00 C ATOM 2638 CE2 PHE B 73 -8.006 -2.262 0.824 1.00 0.00 C ATOM 2639 CZ PHE B 73 -8.351 -0.937 1.097 1.00 0.00 C ATOM 0 H PHE B 73 -5.244 -2.486 -4.695 1.00 0.00 H new ATOM 0 HA PHE B 73 -6.510 -0.135 -3.748 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -7.489 -2.302 -3.401 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.054 -2.910 -2.600 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -7.447 0.488 -1.857 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -7.186 -3.623 -0.624 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -8.412 1.080 0.351 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -8.165 -3.027 1.570 1.00 0.00 H new ATOM 0 HZ PHE B 73 -8.777 -0.678 2.055 1.00 0.00 H new ATOM 2649 N MET B 74 -3.800 -0.939 -2.100 1.00 0.00 N ATOM 2650 CA MET B 74 -2.848 -0.340 -1.142 1.00 0.00 C ATOM 2651 C MET B 74 -2.384 0.975 -1.745 1.00 0.00 C ATOM 2652 O MET B 74 -2.285 1.988 -1.083 1.00 0.00 O ATOM 2653 CB MET B 74 -1.657 -1.296 -0.948 1.00 0.00 C ATOM 2654 CG MET B 74 -1.268 -1.371 0.529 1.00 0.00 C ATOM 2655 SD MET B 74 0.284 -2.278 0.687 1.00 0.00 S ATOM 2656 CE MET B 74 0.086 -2.738 2.422 1.00 0.00 C ATOM 0 H MET B 74 -3.526 -1.838 -2.497 1.00 0.00 H new ATOM 0 HA MET B 74 -3.308 -0.170 -0.169 1.00 0.00 H new ATOM 0 HB2 MET B 74 -1.917 -2.290 -1.313 1.00 0.00 H new ATOM 0 HB3 MET B 74 -0.807 -0.952 -1.537 1.00 0.00 H new ATOM 0 HG2 MET B 74 -1.160 -0.367 0.941 1.00 0.00 H new ATOM 0 HG3 MET B 74 -2.053 -1.867 1.100 1.00 0.00 H new ATOM 0 HE1 MET B 74 0.895 -3.407 2.715 1.00 0.00 H new ATOM 0 HE2 MET B 74 0.114 -1.842 3.042 1.00 0.00 H new ATOM 0 HE3 MET B 74 -0.870 -3.243 2.558 1.00 0.00 H new ATOM 2666 N ALA B 75 -2.076 0.946 -3.006 1.00 0.00 N ATOM 2667 CA ALA B 75 -1.587 2.189 -3.664 1.00 0.00 C ATOM 2668 C ALA B 75 -2.544 3.344 -3.355 1.00 0.00 C ATOM 2669 O ALA B 75 -2.173 4.499 -3.414 1.00 0.00 O ATOM 2670 CB ALA B 75 -1.512 1.971 -5.172 1.00 0.00 C ATOM 0 H ALA B 75 -2.140 0.125 -3.608 1.00 0.00 H new ATOM 0 HA ALA B 75 -0.595 2.434 -3.286 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -1.154 2.881 -5.654 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -0.826 1.152 -5.388 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -2.503 1.724 -5.554 1.00 0.00 H new ATOM 2676 N PHE B 76 -3.769 3.047 -3.016 1.00 0.00 N ATOM 2677 CA PHE B 76 -4.725 4.151 -2.696 1.00 0.00 C ATOM 2678 C PHE B 76 -4.384 4.695 -1.312 1.00 0.00 C ATOM 2679 O PHE B 76 -4.252 5.888 -1.121 1.00 0.00 O ATOM 2680 CB PHE B 76 -6.174 3.637 -2.747 1.00 0.00 C ATOM 2681 CG PHE B 76 -7.126 4.621 -2.090 1.00 0.00 C ATOM 2682 CD1 PHE B 76 -7.106 5.979 -2.443 1.00 0.00 C ATOM 2683 CD2 PHE B 76 -8.041 4.166 -1.128 1.00 0.00 C ATOM 2684 CE1 PHE B 76 -7.996 6.875 -1.834 1.00 0.00 C ATOM 2685 CE2 PHE B 76 -8.929 5.062 -0.522 1.00 0.00 C ATOM 2686 CZ PHE B 76 -8.907 6.416 -0.874 1.00 0.00 C ATOM 0 H PHE B 76 -4.148 2.102 -2.947 1.00 0.00 H new ATOM 0 HA PHE B 76 -4.637 4.950 -3.432 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.470 3.477 -3.784 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -6.239 2.672 -2.244 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -6.405 6.334 -3.184 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.060 3.121 -0.855 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -7.979 7.920 -2.105 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -9.632 4.708 0.218 1.00 0.00 H new ATOM 0 HZ PHE B 76 -9.592 7.107 -0.406 1.00 0.00 H new ATOM 2696 N VAL B 77 -4.221 3.836 -0.348 1.00 0.00 N ATOM 2697 CA VAL B 77 -3.869 4.322 1.013 1.00 0.00 C ATOM 2698 C VAL B 77 -2.571 5.131 0.940 1.00 0.00 C ATOM 2699 O VAL B 77 -2.415 6.126 1.618 1.00 0.00 O ATOM 2700 CB VAL B 77 -3.657 3.137 1.958 1.00 0.00 C ATOM 2701 CG1 VAL B 77 -3.491 3.648 3.390 1.00 0.00 C ATOM 2702 CG2 VAL B 77 -4.863 2.202 1.904 1.00 0.00 C ATOM 0 H VAL B 77 -4.315 2.825 -0.442 1.00 0.00 H new ATOM 0 HA VAL B 77 -4.682 4.943 1.388 1.00 0.00 H new ATOM 0 HB VAL B 77 -2.763 2.596 1.649 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -3.340 2.804 4.062 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -2.628 4.312 3.442 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -4.387 4.193 3.688 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -4.703 1.362 2.580 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -5.758 2.745 2.206 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -4.990 1.831 0.887 1.00 0.00 H new ATOM 2712 N SER B 78 -1.635 4.710 0.133 1.00 0.00 N ATOM 2713 CA SER B 78 -0.353 5.457 0.045 1.00 0.00 C ATOM 2714 C SER B 78 -0.599 6.816 -0.597 1.00 0.00 C ATOM 2715 O SER B 78 0.047 7.790 -0.275 1.00 0.00 O ATOM 2716 CB SER B 78 0.673 4.666 -0.777 1.00 0.00 C ATOM 2717 OG SER B 78 1.362 5.545 -1.658 1.00 0.00 O ATOM 0 H SER B 78 -1.704 3.886 -0.465 1.00 0.00 H new ATOM 0 HA SER B 78 0.045 5.598 1.050 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.382 4.172 -0.113 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.172 3.884 -1.347 1.00 0.00 H new ATOM 0 HG SER B 78 2.328 5.402 -1.574 1.00 0.00 H new ATOM 2723 N MET B 79 -1.551 6.907 -1.476 1.00 0.00 N ATOM 2724 CA MET B 79 -1.845 8.220 -2.097 1.00 0.00 C ATOM 2725 C MET B 79 -2.504 9.083 -1.033 1.00 0.00 C ATOM 2726 O MET B 79 -2.426 10.295 -1.048 1.00 0.00 O ATOM 2727 CB MET B 79 -2.780 8.044 -3.302 1.00 0.00 C ATOM 2728 CG MET B 79 -2.958 9.381 -4.048 1.00 0.00 C ATOM 2729 SD MET B 79 -3.224 9.051 -5.815 1.00 0.00 S ATOM 2730 CE MET B 79 -4.885 9.759 -5.972 1.00 0.00 C ATOM 0 H MET B 79 -2.136 6.132 -1.790 1.00 0.00 H new ATOM 0 HA MET B 79 -0.930 8.689 -2.459 1.00 0.00 H new ATOM 0 HB2 MET B 79 -2.372 7.294 -3.980 1.00 0.00 H new ATOM 0 HB3 MET B 79 -3.750 7.676 -2.967 1.00 0.00 H new ATOM 0 HG2 MET B 79 -3.805 9.930 -3.637 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.076 10.007 -3.912 1.00 0.00 H new ATOM 0 HE1 MET B 79 -5.230 9.653 -7.000 1.00 0.00 H new ATOM 0 HE2 MET B 79 -5.568 9.235 -5.304 1.00 0.00 H new ATOM 0 HE3 MET B 79 -4.857 10.816 -5.706 1.00 0.00 H new ATOM 2740 N VAL B 80 -3.126 8.442 -0.086 1.00 0.00 N ATOM 2741 CA VAL B 80 -3.773 9.167 1.026 1.00 0.00 C ATOM 2742 C VAL B 80 -2.710 9.399 2.081 1.00 0.00 C ATOM 2743 O VAL B 80 -2.671 10.425 2.730 1.00 0.00 O ATOM 2744 CB VAL B 80 -4.902 8.312 1.621 1.00 0.00 C ATOM 2745 CG1 VAL B 80 -5.400 8.953 2.923 1.00 0.00 C ATOM 2746 CG2 VAL B 80 -6.060 8.200 0.618 1.00 0.00 C ATOM 0 H VAL B 80 -3.212 7.427 -0.040 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.199 10.108 0.678 1.00 0.00 H new ATOM 0 HB VAL B 80 -4.521 7.313 1.833 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -6.201 8.346 3.344 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -4.578 9.015 3.636 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.775 9.955 2.715 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -6.856 7.592 1.048 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -6.444 9.195 0.393 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -5.703 7.733 -0.300 1.00 0.00 H new ATOM 2756 N THR B 81 -1.830 8.450 2.251 1.00 0.00 N ATOM 2757 CA THR B 81 -0.761 8.625 3.258 1.00 0.00 C ATOM 2758 C THR B 81 0.214 9.666 2.721 1.00 0.00 C ATOM 2759 O THR B 81 0.786 10.439 3.463 1.00 0.00 O ATOM 2760 CB THR B 81 -0.071 7.264 3.529 1.00 0.00 C ATOM 2761 OG1 THR B 81 0.115 7.112 4.929 1.00 0.00 O ATOM 2762 CG2 THR B 81 1.295 7.157 2.830 1.00 0.00 C ATOM 0 H THR B 81 -1.810 7.569 1.737 1.00 0.00 H new ATOM 0 HA THR B 81 -1.163 8.973 4.210 1.00 0.00 H new ATOM 0 HB THR B 81 -0.713 6.479 3.130 1.00 0.00 H new ATOM 0 HG1 THR B 81 0.989 6.704 5.100 1.00 0.00 H new ATOM 0 HG21 THR B 81 1.741 6.187 3.049 1.00 0.00 H new ATOM 0 HG22 THR B 81 1.162 7.261 1.753 1.00 0.00 H new ATOM 0 HG23 THR B 81 1.952 7.948 3.192 1.00 0.00 H new ATOM 2770 N THR B 82 0.424 9.682 1.430 1.00 0.00 N ATOM 2771 CA THR B 82 1.380 10.669 0.857 1.00 0.00 C ATOM 2772 C THR B 82 0.878 12.091 1.088 1.00 0.00 C ATOM 2773 O THR B 82 1.649 12.981 1.387 1.00 0.00 O ATOM 2774 CB THR B 82 1.523 10.416 -0.639 1.00 0.00 C ATOM 2775 OG1 THR B 82 0.235 10.271 -1.212 1.00 0.00 O ATOM 2776 CG2 THR B 82 2.343 9.140 -0.873 1.00 0.00 C ATOM 0 H THR B 82 -0.021 9.060 0.755 1.00 0.00 H new ATOM 0 HA THR B 82 2.347 10.555 1.348 1.00 0.00 H new ATOM 0 HB THR B 82 2.036 11.257 -1.105 1.00 0.00 H new ATOM 0 HG1 THR B 82 0.306 10.301 -2.189 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.443 8.963 -1.944 1.00 0.00 H new ATOM 0 HG22 THR B 82 3.332 9.257 -0.431 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.837 8.292 -0.411 1.00 0.00 H new ATOM 2784 N ALA B 83 -0.402 12.329 0.963 1.00 0.00 N ATOM 2785 CA ALA B 83 -0.914 13.705 1.192 1.00 0.00 C ATOM 2786 C ALA B 83 -0.699 14.068 2.656 1.00 0.00 C ATOM 2787 O ALA B 83 -0.235 15.144 2.978 1.00 0.00 O ATOM 2788 CB ALA B 83 -2.409 13.753 0.867 1.00 0.00 C ATOM 0 H ALA B 83 -1.106 11.634 0.714 1.00 0.00 H new ATOM 0 HA ALA B 83 -0.385 14.412 0.552 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -2.786 14.762 1.035 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -2.564 13.477 -0.176 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -2.944 13.055 1.511 1.00 0.00 H new ATOM 2794 N CYS B 84 -1.022 13.172 3.548 1.00 0.00 N ATOM 2795 CA CYS B 84 -0.819 13.469 4.995 1.00 0.00 C ATOM 2796 C CYS B 84 0.671 13.708 5.243 1.00 0.00 C ATOM 2797 O CYS B 84 1.070 14.226 6.267 1.00 0.00 O ATOM 2798 CB CYS B 84 -1.291 12.279 5.835 1.00 0.00 C ATOM 2799 SG CYS B 84 -1.314 12.747 7.583 1.00 0.00 S ATOM 0 H CYS B 84 -1.415 12.254 3.340 1.00 0.00 H new ATOM 0 HA CYS B 84 -1.391 14.354 5.275 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -2.286 11.968 5.518 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -0.628 11.427 5.684 1.00 0.00 H new ATOM 0 HG CYS B 84 -0.311 13.535 7.834 1.00 0.00 H new ATOM 2805 N HIS B 85 1.496 13.324 4.304 1.00 0.00 N ATOM 2806 CA HIS B 85 2.972 13.508 4.453 1.00 0.00 C ATOM 2807 C HIS B 85 3.408 14.749 3.664 1.00 0.00 C ATOM 2808 O HIS B 85 4.305 15.466 4.065 1.00 0.00 O ATOM 2809 CB HIS B 85 3.664 12.249 3.910 1.00 0.00 C ATOM 2810 CG HIS B 85 5.112 12.512 3.584 1.00 0.00 C ATOM 2811 ND1 HIS B 85 5.736 11.909 2.504 1.00 0.00 N ATOM 2812 CD2 HIS B 85 6.069 13.296 4.181 1.00 0.00 C ATOM 2813 CE1 HIS B 85 7.009 12.333 2.482 1.00 0.00 C ATOM 2814 NE2 HIS B 85 7.268 13.182 3.481 1.00 0.00 N ATOM 0 H HIS B 85 1.207 12.885 3.430 1.00 0.00 H new ATOM 0 HA HIS B 85 3.245 13.653 5.498 1.00 0.00 H new ATOM 0 HB2 HIS B 85 3.595 11.448 4.647 1.00 0.00 H new ATOM 0 HB3 HIS B 85 3.145 11.904 3.015 1.00 0.00 H new ATOM 0 HD1 HIS B 85 5.306 11.260 1.845 1.00 0.00 H new ATOM 0 HD2 HIS B 85 5.915 13.907 5.058 1.00 0.00 H new ATOM 0 HE1 HIS B 85 7.737 12.025 1.746 1.00 0.00 H new ATOM 2822 N GLU B 86 2.788 15.010 2.546 1.00 0.00 N ATOM 2823 CA GLU B 86 3.180 16.203 1.742 1.00 0.00 C ATOM 2824 C GLU B 86 2.770 17.478 2.481 1.00 0.00 C ATOM 2825 O GLU B 86 3.536 18.413 2.599 1.00 0.00 O ATOM 2826 CB GLU B 86 2.487 16.157 0.378 1.00 0.00 C ATOM 2827 CG GLU B 86 2.885 17.385 -0.443 1.00 0.00 C ATOM 2828 CD GLU B 86 2.344 17.247 -1.866 1.00 0.00 C ATOM 2829 OE1 GLU B 86 2.542 16.197 -2.456 1.00 0.00 O ATOM 2830 OE2 GLU B 86 1.740 18.194 -2.341 1.00 0.00 O ATOM 0 H GLU B 86 2.029 14.451 2.155 1.00 0.00 H new ATOM 0 HA GLU B 86 4.260 16.199 1.598 1.00 0.00 H new ATOM 0 HB2 GLU B 86 2.766 15.247 -0.152 1.00 0.00 H new ATOM 0 HB3 GLU B 86 1.405 16.130 0.509 1.00 0.00 H new ATOM 0 HG2 GLU B 86 2.490 18.289 0.021 1.00 0.00 H new ATOM 0 HG3 GLU B 86 3.970 17.485 -0.464 1.00 0.00 H new ATOM 2837 N PHE B 87 1.568 17.520 2.979 1.00 0.00 N ATOM 2838 CA PHE B 87 1.108 18.732 3.713 1.00 0.00 C ATOM 2839 C PHE B 87 1.922 18.880 5.002 1.00 0.00 C ATOM 2840 O PHE B 87 2.327 19.964 5.374 1.00 0.00 O ATOM 2841 CB PHE B 87 -0.381 18.585 4.060 1.00 0.00 C ATOM 2842 CG PHE B 87 -1.226 18.890 2.839 1.00 0.00 C ATOM 2843 CD1 PHE B 87 -1.131 18.080 1.702 1.00 0.00 C ATOM 2844 CD2 PHE B 87 -2.104 19.984 2.845 1.00 0.00 C ATOM 2845 CE1 PHE B 87 -1.911 18.361 0.573 1.00 0.00 C ATOM 2846 CE2 PHE B 87 -2.884 20.264 1.717 1.00 0.00 C ATOM 2847 CZ PHE B 87 -2.787 19.452 0.580 1.00 0.00 C ATOM 0 H PHE B 87 0.883 16.768 2.910 1.00 0.00 H new ATOM 0 HA PHE B 87 1.248 19.615 3.089 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -0.584 17.573 4.410 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -0.643 19.262 4.873 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -0.456 17.237 1.695 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -2.178 20.611 3.721 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -1.836 17.735 -0.304 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -3.560 21.106 1.723 1.00 0.00 H new ATOM 0 HZ PHE B 87 -3.388 19.668 -0.291 1.00 0.00 H new ATOM 2857 N PHE B 88 2.166 17.796 5.686 1.00 0.00 N ATOM 2858 CA PHE B 88 2.953 17.867 6.950 1.00 0.00 C ATOM 2859 C PHE B 88 4.303 18.536 6.681 1.00 0.00 C ATOM 2860 O PHE B 88 4.951 19.028 7.584 1.00 0.00 O ATOM 2861 CB PHE B 88 3.177 16.450 7.484 1.00 0.00 C ATOM 2862 CG PHE B 88 3.830 16.513 8.846 1.00 0.00 C ATOM 2863 CD1 PHE B 88 3.072 16.856 9.972 1.00 0.00 C ATOM 2864 CD2 PHE B 88 5.194 16.222 8.983 1.00 0.00 C ATOM 2865 CE1 PHE B 88 3.676 16.909 11.234 1.00 0.00 C ATOM 2866 CE2 PHE B 88 5.798 16.273 10.245 1.00 0.00 C ATOM 2867 CZ PHE B 88 5.039 16.617 11.371 1.00 0.00 C ATOM 0 H PHE B 88 1.853 16.861 5.423 1.00 0.00 H new ATOM 0 HA PHE B 88 2.406 18.453 7.688 1.00 0.00 H new ATOM 0 HB2 PHE B 88 2.226 15.922 7.551 1.00 0.00 H new ATOM 0 HB3 PHE B 88 3.806 15.887 6.795 1.00 0.00 H new ATOM 0 HD1 PHE B 88 2.021 17.080 9.867 1.00 0.00 H new ATOM 0 HD2 PHE B 88 5.780 15.958 8.115 1.00 0.00 H new ATOM 0 HE1 PHE B 88 3.091 17.175 12.102 1.00 0.00 H new ATOM 0 HE2 PHE B 88 6.849 16.047 10.350 1.00 0.00 H new ATOM 0 HZ PHE B 88 5.505 16.657 12.345 1.00 0.00 H new