USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1012 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 99 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 105 GLN : amide:sc= -3.62 K(o=-3.6,f=-4.7!) USER MOD Set 3.1: A 38 HIS : no HE2:sc= 0 K(o=-3.6,f=-4.8) USER MOD Set 3.2: A 85 GLN : amide:sc= 0.0648 K(o=-3.6,f=-7.2!) USER MOD Set 3.3: A 87 HIS : no HD1:sc= -3.63! C(o=-3.6!,f=-6.9!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -2.96 X(o=-3,f=-3.4!) USER MOD Single : A 4 SER OG : rot 37:sc= 0.164 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0177 USER MOD Single : A 19 ASN : amide:sc= -0.205 K(o=-0.21,f=-1.3!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.302 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0989 USER MOD Single : A 36 LYS NZ :NH3+ 142:sc= -1.14 (180deg=-4.34!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -58:sc= 0.283 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.77) USER MOD Single : A 51 THR OG1 : rot 85:sc= 0.0291 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -110:sc= 0.312 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= -1.39 (180deg=-1.39) USER MOD Single : A 59 MET CE :methyl -157:sc= -0.326 (180deg=-1.25) USER MOD Single : A 65 LYS NZ :NH3+ -152:sc= -0.224 (180deg=-0.949) USER MOD Single : A 69 SER OG : rot -51:sc= 0.205 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 170:sc= 0.0299 (180deg=-0.335) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.449 K(o=-0.45,f=-1.2) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.181) USER MOD Single : A 88 MET CE :methyl 158:sc= -2.58 (180deg=-3.49!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.994 USER MOD Single : A 92 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.8!) USER MOD Single : A 93 ASN : amide:sc= -0.138 K(o=-0.14,f=-0.64) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -153:sc= -1.39 (180deg=-3.51!) USER MOD Single : A 99 ASN : amide:sc= -0.0428 K(o=-0.043,f=-1) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 105:sc= 1.18 USER MOD Single : A 106 GLN :FLIP amide:sc= -2.14! C(o=-2.8!,f=-2.1!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -13:sc= -2.88 USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 102 ASN : amide:sc= -0.0786 K(o=-0.079,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -12.773 11.040 9.065 1.00 0.00 N ATOM 2 CA PRO A 1 -12.982 11.180 7.601 1.00 0.00 C ATOM 3 C PRO A 1 -11.672 11.434 6.861 1.00 0.00 C ATOM 4 O PRO A 1 -11.511 11.043 5.704 1.00 0.00 O ATOM 5 CB PRO A 1 -13.949 12.341 7.386 1.00 0.00 C ATOM 6 CG PRO A 1 -14.291 12.805 8.764 1.00 0.00 C ATOM 7 CD PRO A 1 -13.188 12.312 9.672 1.00 0.00 C ATOM 0 H2 PRO A 1 -11.795 10.841 9.274 1.00 0.00 H new ATOM 0 H3 PRO A 1 -13.322 10.265 9.437 1.00 0.00 H new ATOM 0 HA PRO A 1 -13.389 10.252 7.200 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.488 13.138 6.802 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -14.838 12.021 6.843 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -14.365 13.892 8.800 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.257 12.409 9.078 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -12.362 13.021 9.718 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -13.544 12.170 10.693 1.00 0.00 H new ATOM 17 N SER A 2 -10.743 12.090 7.539 1.00 0.00 N ATOM 18 CA SER A 2 -9.442 12.402 6.956 1.00 0.00 C ATOM 19 C SER A 2 -8.606 11.139 6.785 1.00 0.00 C ATOM 20 O SER A 2 -8.349 10.700 5.663 1.00 0.00 O ATOM 21 CB SER A 2 -8.695 13.408 7.834 1.00 0.00 C ATOM 22 OG SER A 2 -7.343 13.533 7.428 1.00 0.00 O ATOM 0 H SER A 2 -10.864 12.419 8.497 1.00 0.00 H new ATOM 0 HA SER A 2 -9.608 12.842 5.972 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.186 14.379 7.778 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.737 13.089 8.875 1.00 0.00 H new ATOM 0 HG SER A 2 -6.887 14.183 8.003 1.00 0.00 H new ATOM 28 N HIS A 3 -8.181 10.559 7.902 1.00 0.00 N ATOM 29 CA HIS A 3 -7.372 9.346 7.876 1.00 0.00 C ATOM 30 C HIS A 3 -8.251 8.098 7.820 1.00 0.00 C ATOM 31 O HIS A 3 -8.119 7.194 8.646 1.00 0.00 O ATOM 32 CB HIS A 3 -6.450 9.297 9.096 1.00 0.00 C ATOM 33 CG HIS A 3 -7.159 9.033 10.386 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.515 9.215 10.558 1.00 0.00 N ATOM 35 CD2 HIS A 3 -6.687 8.592 11.574 1.00 0.00 C ATOM 36 CE1 HIS A 3 -8.846 8.899 11.799 1.00 0.00 C ATOM 37 NE2 HIS A 3 -7.753 8.518 12.434 1.00 0.00 N ATOM 0 H HIS A 3 -8.384 10.910 8.838 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.761 9.366 6.974 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.700 8.521 8.940 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.917 10.245 9.174 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.661 8.344 11.803 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.839 8.945 12.220 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.708 8.217 13.408 1.00 0.00 H new ATOM 46 N SER A 4 -9.147 8.055 6.839 1.00 0.00 N ATOM 47 CA SER A 4 -10.045 6.917 6.676 1.00 0.00 C ATOM 48 C SER A 4 -10.957 7.109 5.467 1.00 0.00 C ATOM 49 O SER A 4 -11.618 8.138 5.335 1.00 0.00 O ATOM 50 CB SER A 4 -10.888 6.719 7.937 1.00 0.00 C ATOM 51 OG SER A 4 -11.605 7.898 8.262 1.00 0.00 O ATOM 0 H SER A 4 -9.271 8.793 6.146 1.00 0.00 H new ATOM 0 HA SER A 4 -9.435 6.029 6.511 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.586 5.895 7.786 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.242 6.441 8.770 1.00 0.00 H new ATOM 0 HG SER A 4 -11.903 8.337 7.438 1.00 0.00 H new ATOM 57 N GLY A 5 -10.992 6.108 4.592 1.00 0.00 N ATOM 58 CA GLY A 5 -11.830 6.182 3.413 1.00 0.00 C ATOM 59 C GLY A 5 -12.338 4.819 3.000 1.00 0.00 C ATOM 60 O GLY A 5 -11.736 3.803 3.340 1.00 0.00 O ATOM 0 H GLY A 5 -10.453 5.246 4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.676 6.841 3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.265 6.624 2.592 1.00 0.00 H new ATOM 64 N ALA A 6 -13.443 4.788 2.269 1.00 0.00 N ATOM 65 CA ALA A 6 -14.014 3.525 1.824 1.00 0.00 C ATOM 66 C ALA A 6 -13.147 2.894 0.742 1.00 0.00 C ATOM 67 O ALA A 6 -13.159 3.326 -0.410 1.00 0.00 O ATOM 68 CB ALA A 6 -15.434 3.734 1.326 1.00 0.00 C ATOM 0 H ALA A 6 -13.959 5.617 1.973 1.00 0.00 H new ATOM 0 HA ALA A 6 -14.045 2.841 2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.848 2.781 0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -16.047 4.136 2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.427 4.435 0.491 1.00 0.00 H new ATOM 74 N ALA A 7 -12.386 1.876 1.130 1.00 0.00 N ATOM 75 CA ALA A 7 -11.498 1.188 0.200 1.00 0.00 C ATOM 76 C ALA A 7 -12.027 -0.199 -0.152 1.00 0.00 C ATOM 77 O ALA A 7 -12.943 -0.708 0.492 1.00 0.00 O ATOM 78 CB ALA A 7 -10.094 1.094 0.787 1.00 0.00 C ATOM 0 H ALA A 7 -12.366 1.509 2.082 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.458 1.769 -0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.440 0.578 0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.709 2.097 0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.128 0.539 1.725 1.00 0.00 H new ATOM 84 N ILE A 8 -11.444 -0.798 -1.185 1.00 0.00 N ATOM 85 CA ILE A 8 -11.854 -2.122 -1.640 1.00 0.00 C ATOM 86 C ILE A 8 -10.698 -3.113 -1.563 1.00 0.00 C ATOM 87 O ILE A 8 -9.543 -2.753 -1.790 1.00 0.00 O ATOM 88 CB ILE A 8 -12.383 -2.066 -3.086 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.509 -1.027 -3.178 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.854 -3.445 -3.540 1.00 0.00 C ATOM 91 CD1 ILE A 8 -14.621 -1.395 -4.135 1.00 0.00 C ATOM 0 H ILE A 8 -10.683 -0.386 -1.725 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.652 -2.459 -0.979 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.578 -1.763 -3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.934 -0.881 -2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.082 -0.072 -3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.224 -3.384 -4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -12.021 -4.147 -3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -13.654 -3.790 -2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.374 -0.607 -4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.213 -1.512 -5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -15.078 -2.332 -3.818 1.00 0.00 H new ATOM 103 N PHE A 9 -11.016 -4.365 -1.244 1.00 0.00 N ATOM 104 CA PHE A 9 -10.002 -5.406 -1.142 1.00 0.00 C ATOM 105 C PHE A 9 -10.557 -6.738 -1.629 1.00 0.00 C ATOM 106 O PHE A 9 -11.718 -7.056 -1.390 1.00 0.00 O ATOM 107 CB PHE A 9 -9.515 -5.537 0.302 1.00 0.00 C ATOM 108 CG PHE A 9 -8.292 -6.398 0.448 1.00 0.00 C ATOM 109 CD1 PHE A 9 -8.408 -7.772 0.574 1.00 0.00 C ATOM 110 CD2 PHE A 9 -7.028 -5.831 0.457 1.00 0.00 C ATOM 111 CE1 PHE A 9 -7.285 -8.567 0.708 1.00 0.00 C ATOM 112 CE2 PHE A 9 -5.901 -6.621 0.591 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.030 -7.989 0.717 1.00 0.00 C ATOM 0 H PHE A 9 -11.967 -4.681 -1.052 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.158 -5.127 -1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.299 -4.544 0.695 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.317 -5.954 0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.387 -8.228 0.568 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.922 -4.761 0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.388 -9.638 0.805 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.921 -6.168 0.597 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.151 -8.607 0.823 1.00 0.00 H new ATOM 123 N GLU A 10 -9.725 -7.510 -2.317 1.00 0.00 N ATOM 124 CA GLU A 10 -10.148 -8.807 -2.837 1.00 0.00 C ATOM 125 C GLU A 10 -11.452 -8.685 -3.622 1.00 0.00 C ATOM 126 O GLU A 10 -12.230 -9.638 -3.698 1.00 0.00 O ATOM 127 CB GLU A 10 -10.319 -9.806 -1.692 1.00 0.00 C ATOM 128 CG GLU A 10 -9.050 -10.571 -1.357 1.00 0.00 C ATOM 129 CD GLU A 10 -9.187 -11.407 -0.100 1.00 0.00 C ATOM 130 OE1 GLU A 10 -9.803 -10.922 0.872 1.00 0.00 O ATOM 131 OE2 GLU A 10 -8.677 -12.548 -0.086 1.00 0.00 O ATOM 0 H GLU A 10 -8.758 -7.264 -2.528 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.374 -9.168 -3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.657 -9.273 -0.803 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.103 -10.516 -1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.790 -11.220 -2.194 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.228 -9.866 -1.232 1.00 0.00 H new ATOM 138 N LYS A 11 -11.682 -7.506 -4.203 1.00 0.00 N ATOM 139 CA LYS A 11 -12.888 -7.240 -4.992 1.00 0.00 C ATOM 140 C LYS A 11 -14.073 -6.852 -4.106 1.00 0.00 C ATOM 141 O LYS A 11 -15.145 -6.521 -4.610 1.00 0.00 O ATOM 142 CB LYS A 11 -13.260 -8.448 -5.860 1.00 0.00 C ATOM 143 CG LYS A 11 -12.071 -9.086 -6.563 1.00 0.00 C ATOM 144 CD LYS A 11 -12.120 -10.603 -6.480 1.00 0.00 C ATOM 145 CE LYS A 11 -11.208 -11.247 -7.512 1.00 0.00 C ATOM 146 NZ LYS A 11 -11.472 -12.706 -7.653 1.00 0.00 N ATOM 0 H LYS A 11 -11.043 -6.713 -4.141 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.659 -6.396 -5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.746 -9.197 -5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.988 -8.136 -6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.058 -8.778 -7.609 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.146 -8.726 -6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.824 -10.924 -5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.144 -10.944 -6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.348 -10.758 -8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.168 -11.092 -7.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.830 -13.108 -8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.314 -13.177 -6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.457 -12.853 -7.952 1.00 0.00 H new ATOM 160 N VAL A 12 -13.881 -6.885 -2.788 1.00 0.00 N ATOM 161 CA VAL A 12 -14.943 -6.525 -1.862 1.00 0.00 C ATOM 162 C VAL A 12 -14.717 -5.131 -1.297 1.00 0.00 C ATOM 163 O VAL A 12 -13.612 -4.792 -0.875 1.00 0.00 O ATOM 164 CB VAL A 12 -15.066 -7.544 -0.710 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.837 -7.538 0.188 1.00 0.00 C ATOM 166 CG2 VAL A 12 -16.329 -7.290 0.102 1.00 0.00 C ATOM 0 H VAL A 12 -13.004 -7.156 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.877 -6.535 -2.424 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.135 -8.535 -1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.966 -8.270 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.955 -7.793 -0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.709 -6.547 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.396 -8.020 0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.295 -6.285 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.202 -7.383 -0.544 1.00 0.00 H new ATOM 176 N SER A 13 -15.762 -4.317 -1.307 1.00 0.00 N ATOM 177 CA SER A 13 -15.657 -2.958 -0.803 1.00 0.00 C ATOM 178 C SER A 13 -15.808 -2.926 0.710 1.00 0.00 C ATOM 179 O SER A 13 -16.577 -3.695 1.287 1.00 0.00 O ATOM 180 CB SER A 13 -16.712 -2.060 -1.449 1.00 0.00 C ATOM 181 OG SER A 13 -17.979 -2.694 -1.472 1.00 0.00 O ATOM 0 H SER A 13 -16.686 -4.572 -1.656 1.00 0.00 H new ATOM 0 HA SER A 13 -14.667 -2.583 -1.062 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.782 -1.122 -0.898 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.408 -1.811 -2.466 1.00 0.00 H new ATOM 0 HG SER A 13 -18.636 -2.098 -1.889 1.00 0.00 H new ATOM 187 N GLY A 14 -15.067 -2.030 1.347 1.00 0.00 N ATOM 188 CA GLY A 14 -15.128 -1.908 2.787 1.00 0.00 C ATOM 189 C GLY A 14 -14.803 -0.507 3.255 1.00 0.00 C ATOM 190 O GLY A 14 -15.211 0.473 2.633 1.00 0.00 O ATOM 0 H GLY A 14 -14.423 -1.384 0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.125 -2.182 3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.430 -2.612 3.240 1.00 0.00 H new ATOM 194 N ILE A 15 -14.064 -0.412 4.352 1.00 0.00 N ATOM 195 CA ILE A 15 -13.678 0.878 4.899 1.00 0.00 C ATOM 196 C ILE A 15 -12.230 0.865 5.349 1.00 0.00 C ATOM 197 O ILE A 15 -11.848 0.090 6.219 1.00 0.00 O ATOM 198 CB ILE A 15 -14.555 1.274 6.103 1.00 0.00 C ATOM 199 CG1 ILE A 15 -16.020 0.915 5.840 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.397 2.758 6.407 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.700 1.795 4.815 1.00 0.00 C ATOM 0 H ILE A 15 -13.720 -1.214 4.880 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.815 1.606 4.100 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.225 0.713 6.978 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.074 -0.121 5.506 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.571 0.977 6.778 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.022 3.023 7.260 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.354 2.972 6.641 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.701 3.342 5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.734 1.474 4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.681 2.831 5.155 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.176 1.716 3.863 1.00 0.00 H new ATOM 213 N ILE A 16 -11.435 1.742 4.768 1.00 0.00 N ATOM 214 CA ILE A 16 -10.034 1.844 5.126 1.00 0.00 C ATOM 215 C ILE A 16 -9.855 2.964 6.140 1.00 0.00 C ATOM 216 O ILE A 16 -10.250 4.100 5.894 1.00 0.00 O ATOM 217 CB ILE A 16 -9.156 2.075 3.869 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.429 0.781 3.496 1.00 0.00 C ATOM 219 CG2 ILE A 16 -8.150 3.200 4.061 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.516 0.919 2.296 1.00 0.00 C ATOM 0 H ILE A 16 -11.736 2.395 4.045 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.709 0.906 5.576 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.822 2.373 3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.842 0.445 4.351 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.168 0.006 3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.561 3.320 3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.679 4.128 4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.488 2.958 4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.036 -0.038 2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.100 1.224 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.754 1.670 2.503 1.00 0.00 H new ATOM 232 N ALA A 17 -9.289 2.633 7.287 1.00 0.00 N ATOM 233 CA ALA A 17 -9.098 3.620 8.338 1.00 0.00 C ATOM 234 C ALA A 17 -7.741 3.464 9.016 1.00 0.00 C ATOM 235 O ALA A 17 -7.339 2.359 9.381 1.00 0.00 O ATOM 236 CB ALA A 17 -10.229 3.514 9.350 1.00 0.00 C ATOM 0 H ALA A 17 -8.955 1.696 7.515 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.116 4.612 7.887 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.084 4.254 10.137 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.181 3.696 8.852 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.233 2.516 9.788 1.00 0.00 H new ATOM 242 N ILE A 18 -7.041 4.582 9.177 1.00 0.00 N ATOM 243 CA ILE A 18 -5.725 4.582 9.806 1.00 0.00 C ATOM 244 C ILE A 18 -5.831 4.831 11.307 1.00 0.00 C ATOM 245 O ILE A 18 -6.281 5.891 11.741 1.00 0.00 O ATOM 246 CB ILE A 18 -4.807 5.654 9.184 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.755 5.496 7.663 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.405 5.570 9.776 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.843 6.259 6.938 1.00 0.00 C ATOM 0 H ILE A 18 -7.364 5.503 8.880 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.293 3.596 9.634 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.220 6.636 9.417 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.783 5.835 7.304 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.836 4.438 7.413 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.773 6.334 9.324 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.455 5.730 10.853 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.983 4.585 9.575 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.744 6.101 5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.819 5.904 7.269 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.750 7.322 7.158 1.00 0.00 H new ATOM 261 N ASN A 19 -5.404 3.850 12.094 1.00 0.00 N ATOM 262 CA ASN A 19 -5.440 3.966 13.547 1.00 0.00 C ATOM 263 C ASN A 19 -4.241 4.761 14.049 1.00 0.00 C ATOM 264 O ASN A 19 -3.145 4.222 14.203 1.00 0.00 O ATOM 265 CB ASN A 19 -5.455 2.579 14.191 1.00 0.00 C ATOM 266 CG ASN A 19 -6.323 2.527 15.433 1.00 0.00 C ATOM 267 OD1 ASN A 19 -7.352 3.197 15.513 1.00 0.00 O ATOM 268 ND2 ASN A 19 -5.911 1.727 16.410 1.00 0.00 N ATOM 0 H ASN A 19 -5.029 2.966 11.750 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.351 4.494 13.827 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.818 1.849 13.467 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.436 2.291 14.451 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.455 1.650 17.270 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.051 1.189 16.301 1.00 0.00 H new ATOM 275 N GLU A 20 -4.454 6.049 14.304 1.00 0.00 N ATOM 276 CA GLU A 20 -3.389 6.919 14.787 1.00 0.00 C ATOM 277 C GLU A 20 -3.325 6.927 16.313 1.00 0.00 C ATOM 278 O GLU A 20 -2.697 7.801 16.911 1.00 0.00 O ATOM 279 CB GLU A 20 -3.591 8.344 14.268 1.00 0.00 C ATOM 280 CG GLU A 20 -3.053 8.562 12.864 1.00 0.00 C ATOM 281 CD GLU A 20 -3.625 9.802 12.205 1.00 0.00 C ATOM 282 OE1 GLU A 20 -4.109 10.692 12.936 1.00 0.00 O ATOM 283 OE2 GLU A 20 -3.590 9.884 10.960 1.00 0.00 O ATOM 0 H GLU A 20 -5.355 6.512 14.184 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.444 6.528 14.409 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.655 8.579 14.281 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.102 9.042 14.948 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.967 8.645 12.904 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.284 7.690 12.251 1.00 0.00 H new ATOM 290 N ASP A 21 -3.964 5.943 16.939 1.00 0.00 N ATOM 291 CA ASP A 21 -3.964 5.838 18.393 1.00 0.00 C ATOM 292 C ASP A 21 -2.781 4.999 18.868 1.00 0.00 C ATOM 293 O ASP A 21 -2.440 5.001 20.051 1.00 0.00 O ATOM 294 CB ASP A 21 -5.274 5.219 18.882 1.00 0.00 C ATOM 295 CG ASP A 21 -6.487 6.019 18.453 1.00 0.00 C ATOM 296 OD1 ASP A 21 -6.444 7.264 18.555 1.00 0.00 O ATOM 297 OD2 ASP A 21 -7.481 5.403 18.013 1.00 0.00 O ATOM 0 H ASP A 21 -4.487 5.209 16.462 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.871 6.841 18.809 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.358 4.203 18.497 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.255 5.148 19.970 1.00 0.00 H new ATOM 302 N VAL A 22 -2.158 4.284 17.934 1.00 0.00 N ATOM 303 CA VAL A 22 -1.012 3.442 18.249 1.00 0.00 C ATOM 304 C VAL A 22 0.296 4.204 18.041 1.00 0.00 C ATOM 305 O VAL A 22 0.294 5.428 17.912 1.00 0.00 O ATOM 306 CB VAL A 22 -1.013 2.168 17.381 1.00 0.00 C ATOM 307 CG1 VAL A 22 -2.224 1.305 17.699 1.00 0.00 C ATOM 308 CG2 VAL A 22 -0.983 2.537 15.907 1.00 0.00 C ATOM 0 H VAL A 22 -2.430 4.273 16.951 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.091 3.155 19.298 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.118 1.589 17.609 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.207 0.411 17.076 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.199 1.016 18.750 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.135 1.869 17.499 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.984 1.629 15.304 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.861 3.135 15.664 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.082 3.113 15.694 1.00 0.00 H new ATOM 318 N SER A 23 1.411 3.479 18.017 1.00 0.00 N ATOM 319 CA SER A 23 2.720 4.098 17.834 1.00 0.00 C ATOM 320 C SER A 23 3.129 4.127 16.360 1.00 0.00 C ATOM 321 O SER A 23 3.331 5.199 15.789 1.00 0.00 O ATOM 322 CB SER A 23 3.776 3.357 18.657 1.00 0.00 C ATOM 323 OG SER A 23 4.023 4.019 19.885 1.00 0.00 O ATOM 0 H SER A 23 1.434 2.465 18.122 1.00 0.00 H new ATOM 0 HA SER A 23 2.650 5.129 18.182 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.441 2.338 18.851 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.702 3.285 18.086 1.00 0.00 H new ATOM 0 HG SER A 23 4.700 3.525 20.393 1.00 0.00 H new ATOM 329 N PRO A 24 3.269 2.949 15.722 1.00 0.00 N ATOM 330 CA PRO A 24 3.670 2.859 14.313 1.00 0.00 C ATOM 331 C PRO A 24 2.540 3.147 13.338 1.00 0.00 C ATOM 332 O PRO A 24 2.706 3.047 12.124 1.00 0.00 O ATOM 333 CB PRO A 24 4.122 1.414 14.173 1.00 0.00 C ATOM 334 CG PRO A 24 3.328 0.662 15.186 1.00 0.00 C ATOM 335 CD PRO A 24 3.065 1.616 16.322 1.00 0.00 C ATOM 0 HA PRO A 24 4.432 3.600 14.073 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.936 1.038 13.167 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.192 1.315 14.357 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.392 0.304 14.757 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.875 -0.214 15.535 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.053 1.504 16.711 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.748 1.444 17.154 1.00 0.00 H new ATOM 343 N ALA A 25 1.405 3.502 13.886 1.00 0.00 N ATOM 344 CA ALA A 25 0.215 3.817 13.103 1.00 0.00 C ATOM 345 C ALA A 25 -0.141 2.679 12.149 1.00 0.00 C ATOM 346 O ALA A 25 0.615 2.359 11.234 1.00 0.00 O ATOM 347 CB ALA A 25 0.416 5.116 12.339 1.00 0.00 C ATOM 0 H ALA A 25 1.270 3.584 14.894 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.620 3.942 13.793 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.479 5.339 11.759 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.604 5.927 13.043 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.268 5.015 11.667 1.00 0.00 H new ATOM 353 N GLU A 26 -1.300 2.072 12.371 1.00 0.00 N ATOM 354 CA GLU A 26 -1.757 0.968 11.536 1.00 0.00 C ATOM 355 C GLU A 26 -2.959 1.379 10.689 1.00 0.00 C ATOM 356 O GLU A 26 -3.658 2.341 11.005 1.00 0.00 O ATOM 357 CB GLU A 26 -2.127 -0.233 12.408 1.00 0.00 C ATOM 358 CG GLU A 26 -1.095 -0.548 13.480 1.00 0.00 C ATOM 359 CD GLU A 26 -1.706 -0.670 14.862 1.00 0.00 C ATOM 360 OE1 GLU A 26 -2.927 -0.919 14.952 1.00 0.00 O ATOM 361 OE2 GLU A 26 -0.965 -0.517 15.855 1.00 0.00 O ATOM 0 H GLU A 26 -1.941 2.326 13.123 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.942 0.693 10.866 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.088 -0.042 12.886 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.256 -1.108 11.771 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.588 -1.479 13.228 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.337 0.235 13.490 1.00 0.00 H new ATOM 368 N LEU A 27 -3.196 0.629 9.620 1.00 0.00 N ATOM 369 CA LEU A 27 -4.315 0.884 8.724 1.00 0.00 C ATOM 370 C LEU A 27 -5.267 -0.307 8.759 1.00 0.00 C ATOM 371 O LEU A 27 -4.926 -1.395 8.297 1.00 0.00 O ATOM 372 CB LEU A 27 -3.809 1.117 7.298 1.00 0.00 C ATOM 373 CG LEU A 27 -4.898 1.381 6.254 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.571 2.626 5.442 1.00 0.00 C ATOM 375 CD2 LEU A 27 -5.065 0.178 5.336 1.00 0.00 C ATOM 0 H LEU A 27 -2.621 -0.169 9.351 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.844 1.779 9.051 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.124 1.965 7.307 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.234 0.245 6.987 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.839 1.548 6.778 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.356 2.797 4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.504 3.487 6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.618 2.487 4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.843 0.386 4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.125 -0.021 4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.347 -0.694 5.926 1.00 0.00 H new ATOM 387 N THR A 28 -6.446 -0.112 9.338 1.00 0.00 N ATOM 388 CA THR A 28 -7.417 -1.195 9.463 1.00 0.00 C ATOM 389 C THR A 28 -8.567 -1.069 8.469 1.00 0.00 C ATOM 390 O THR A 28 -9.360 -0.130 8.533 1.00 0.00 O ATOM 391 CB THR A 28 -7.974 -1.233 10.885 1.00 0.00 C ATOM 392 OG1 THR A 28 -6.923 -1.261 11.834 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.863 -2.429 11.148 1.00 0.00 C ATOM 0 H THR A 28 -6.753 0.780 9.727 1.00 0.00 H new ATOM 0 HA THR A 28 -6.891 -2.123 9.238 1.00 0.00 H new ATOM 0 HB THR A 28 -8.573 -0.328 10.985 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.299 -1.283 12.739 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.225 -2.395 12.176 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.711 -2.409 10.464 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.294 -3.346 10.994 1.00 0.00 H new ATOM 401 N TRP A 29 -8.664 -2.044 7.570 1.00 0.00 N ATOM 402 CA TRP A 29 -9.723 -2.078 6.582 1.00 0.00 C ATOM 403 C TRP A 29 -10.930 -2.831 7.131 1.00 0.00 C ATOM 404 O TRP A 29 -10.886 -4.047 7.306 1.00 0.00 O ATOM 405 CB TRP A 29 -9.235 -2.761 5.305 1.00 0.00 C ATOM 406 CG TRP A 29 -10.331 -2.990 4.314 1.00 0.00 C ATOM 407 CD1 TRP A 29 -10.928 -2.046 3.543 1.00 0.00 C ATOM 408 CD2 TRP A 29 -10.972 -4.231 4.005 1.00 0.00 C ATOM 409 NE1 TRP A 29 -11.898 -2.621 2.753 1.00 0.00 N ATOM 410 CE2 TRP A 29 -11.944 -3.965 3.021 1.00 0.00 C ATOM 411 CE3 TRP A 29 -10.815 -5.544 4.460 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -12.755 -4.964 2.486 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -11.621 -6.532 3.930 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.579 -6.239 2.952 1.00 0.00 C ATOM 0 H TRP A 29 -8.012 -2.826 7.511 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.012 -1.053 6.351 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.458 -2.150 4.846 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.778 -3.717 5.562 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.678 -0.995 3.548 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.485 -2.129 2.080 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.077 -5.781 5.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.495 -4.741 1.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.510 -7.549 4.276 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.192 -7.036 2.557 1.00 0.00 H new ATOM 425 N ARG A 30 -12.006 -2.106 7.392 1.00 0.00 N ATOM 426 CA ARG A 30 -13.225 -2.715 7.911 1.00 0.00 C ATOM 427 C ARG A 30 -14.311 -2.720 6.844 1.00 0.00 C ATOM 428 O ARG A 30 -14.768 -1.665 6.409 1.00 0.00 O ATOM 429 CB ARG A 30 -13.711 -1.964 9.153 1.00 0.00 C ATOM 430 CG ARG A 30 -14.969 -2.556 9.768 1.00 0.00 C ATOM 431 CD ARG A 30 -15.870 -1.475 10.342 1.00 0.00 C ATOM 432 NE ARG A 30 -15.442 -1.057 11.675 1.00 0.00 N ATOM 433 CZ ARG A 30 -15.684 -1.754 12.784 1.00 0.00 C ATOM 434 NH1 ARG A 30 -16.349 -2.901 12.723 1.00 0.00 N ATOM 435 NH2 ARG A 30 -15.260 -1.301 13.956 1.00 0.00 N ATOM 0 H ARG A 30 -12.062 -1.097 7.254 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.003 -3.745 8.190 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.917 -1.962 9.900 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.901 -0.924 8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.514 -3.121 9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.695 -3.258 10.555 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -15.872 -0.613 9.675 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -16.894 -1.844 10.389 1.00 0.00 H new ATOM 0 HE ARG A 30 -14.928 -0.180 11.761 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -16.678 -3.253 11.824 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.532 -3.431 13.575 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.749 -0.420 14.008 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.445 -1.834 14.806 1.00 0.00 H new ATOM 449 N SER A 31 -14.718 -3.914 6.418 1.00 0.00 N ATOM 450 CA SER A 31 -15.747 -4.050 5.390 1.00 0.00 C ATOM 451 C SER A 31 -16.942 -3.146 5.683 1.00 0.00 C ATOM 452 O SER A 31 -17.077 -2.616 6.785 1.00 0.00 O ATOM 453 CB SER A 31 -16.201 -5.510 5.285 1.00 0.00 C ATOM 454 OG SER A 31 -17.569 -5.604 4.920 1.00 0.00 O ATOM 0 H SER A 31 -14.352 -4.799 6.768 1.00 0.00 H new ATOM 0 HA SER A 31 -15.316 -3.742 4.438 1.00 0.00 H new ATOM 0 HB2 SER A 31 -15.590 -6.030 4.547 1.00 0.00 H new ATOM 0 HB3 SER A 31 -16.043 -6.011 6.240 1.00 0.00 H new ATOM 0 HG SER A 31 -17.827 -6.547 4.860 1.00 0.00 H new ATOM 460 N THR A 32 -17.806 -2.982 4.689 1.00 0.00 N ATOM 461 CA THR A 32 -18.989 -2.152 4.836 1.00 0.00 C ATOM 462 C THR A 32 -20.004 -2.861 5.710 1.00 0.00 C ATOM 463 O THR A 32 -20.654 -2.253 6.561 1.00 0.00 O ATOM 464 CB THR A 32 -19.599 -1.850 3.469 1.00 0.00 C ATOM 465 OG1 THR A 32 -18.824 -2.426 2.431 1.00 0.00 O ATOM 466 CG2 THR A 32 -19.722 -0.370 3.183 1.00 0.00 C ATOM 0 H THR A 32 -17.707 -3.415 3.771 1.00 0.00 H new ATOM 0 HA THR A 32 -18.704 -1.211 5.306 1.00 0.00 H new ATOM 0 HB THR A 32 -20.599 -2.283 3.499 1.00 0.00 H new ATOM 0 HG1 THR A 32 -19.234 -2.221 1.565 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.162 -0.225 2.196 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.358 0.094 3.936 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.734 0.089 3.210 1.00 0.00 H new ATOM 474 N ASP A 33 -20.125 -4.156 5.482 1.00 0.00 N ATOM 475 CA ASP A 33 -21.052 -4.981 6.233 1.00 0.00 C ATOM 476 C ASP A 33 -20.409 -5.498 7.513 1.00 0.00 C ATOM 477 O ASP A 33 -21.066 -5.620 8.547 1.00 0.00 O ATOM 478 CB ASP A 33 -21.541 -6.152 5.379 1.00 0.00 C ATOM 479 CG ASP A 33 -22.103 -5.701 4.046 1.00 0.00 C ATOM 480 OD1 ASP A 33 -22.903 -4.742 4.034 1.00 0.00 O ATOM 481 OD2 ASP A 33 -21.744 -6.306 3.014 1.00 0.00 O ATOM 0 H ASP A 33 -19.588 -4.662 4.777 1.00 0.00 H new ATOM 0 HA ASP A 33 -21.907 -4.362 6.505 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.715 -6.842 5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -22.307 -6.702 5.926 1.00 0.00 H new ATOM 486 N GLY A 34 -19.123 -5.802 7.433 1.00 0.00 N ATOM 487 CA GLY A 34 -18.404 -6.305 8.588 1.00 0.00 C ATOM 488 C GLY A 34 -18.094 -7.783 8.476 1.00 0.00 C ATOM 489 O GLY A 34 -17.849 -8.451 9.481 1.00 0.00 O ATOM 0 H GLY A 34 -18.561 -5.710 6.587 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.474 -5.749 8.704 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.995 -6.128 9.486 1.00 0.00 H new ATOM 493 N ASP A 35 -18.107 -8.296 7.250 1.00 0.00 N ATOM 494 CA ASP A 35 -17.824 -9.705 7.010 1.00 0.00 C ATOM 495 C ASP A 35 -16.346 -9.926 6.710 1.00 0.00 C ATOM 496 O ASP A 35 -15.846 -11.047 6.806 1.00 0.00 O ATOM 497 CB ASP A 35 -18.676 -10.226 5.851 1.00 0.00 C ATOM 498 CG ASP A 35 -20.156 -9.977 6.062 1.00 0.00 C ATOM 499 OD1 ASP A 35 -20.646 -10.228 7.183 1.00 0.00 O ATOM 500 OD2 ASP A 35 -20.826 -9.530 5.107 1.00 0.00 O ATOM 0 H ASP A 35 -18.310 -7.757 6.408 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.075 -10.257 7.916 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.358 -9.745 4.926 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.504 -11.296 5.730 1.00 0.00 H new ATOM 505 N LYS A 36 -15.648 -8.855 6.345 1.00 0.00 N ATOM 506 CA LYS A 36 -14.226 -8.946 6.032 1.00 0.00 C ATOM 507 C LYS A 36 -13.452 -7.786 6.644 1.00 0.00 C ATOM 508 O LYS A 36 -13.937 -6.656 6.692 1.00 0.00 O ATOM 509 CB LYS A 36 -14.017 -8.980 4.517 1.00 0.00 C ATOM 510 CG LYS A 36 -14.517 -10.258 3.864 1.00 0.00 C ATOM 511 CD LYS A 36 -15.104 -9.990 2.487 1.00 0.00 C ATOM 512 CE LYS A 36 -14.165 -10.447 1.382 1.00 0.00 C ATOM 513 NZ LYS A 36 -14.864 -10.570 0.074 1.00 0.00 N ATOM 0 H LYS A 36 -16.042 -7.918 6.259 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.845 -9.872 6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -14.528 -8.128 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.955 -8.863 4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.695 -10.969 3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.273 -10.720 4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.059 -10.506 2.391 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -15.305 -8.924 2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.342 -9.738 1.289 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.728 -11.408 1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.234 -10.248 -0.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.124 -11.564 -0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.723 -9.984 0.083 1.00 0.00 H new ATOM 527 N VAL A 37 -12.244 -8.078 7.118 1.00 0.00 N ATOM 528 CA VAL A 37 -11.401 -7.065 7.736 1.00 0.00 C ATOM 529 C VAL A 37 -9.926 -7.294 7.394 1.00 0.00 C ATOM 530 O VAL A 37 -9.523 -8.408 7.058 1.00 0.00 O ATOM 531 CB VAL A 37 -11.599 -7.043 9.272 1.00 0.00 C ATOM 532 CG1 VAL A 37 -10.432 -7.696 10.004 1.00 0.00 C ATOM 533 CG2 VAL A 37 -11.812 -5.619 9.757 1.00 0.00 C ATOM 0 H VAL A 37 -11.829 -9.009 7.085 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.700 -6.096 7.335 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.490 -7.628 9.500 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.610 -7.660 11.079 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.339 -8.735 9.687 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.511 -7.161 9.771 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.950 -5.620 10.838 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.942 -5.014 9.502 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.698 -5.200 9.279 1.00 0.00 H new ATOM 543 N HIS A 38 -9.129 -6.234 7.488 1.00 0.00 N ATOM 544 CA HIS A 38 -7.702 -6.319 7.193 1.00 0.00 C ATOM 545 C HIS A 38 -6.928 -5.260 7.973 1.00 0.00 C ATOM 546 O HIS A 38 -7.435 -4.170 8.224 1.00 0.00 O ATOM 547 CB HIS A 38 -7.454 -6.148 5.693 1.00 0.00 C ATOM 548 CG HIS A 38 -6.190 -6.795 5.218 1.00 0.00 C ATOM 549 ND1 HIS A 38 -6.141 -8.087 4.737 1.00 0.00 N ATOM 550 CD2 HIS A 38 -4.923 -6.323 5.152 1.00 0.00 C ATOM 551 CE1 HIS A 38 -4.898 -8.381 4.396 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.141 -7.327 4.637 1.00 0.00 N ATOM 0 H HIS A 38 -9.447 -5.306 7.766 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.350 -7.305 7.498 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -8.296 -6.568 5.144 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.419 -5.084 5.458 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -6.939 -8.717 4.657 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.589 -5.340 5.449 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.560 -9.323 3.990 1.00 0.00 H new ATOM 561 N THR A 39 -5.700 -5.589 8.362 1.00 0.00 N ATOM 562 CA THR A 39 -4.870 -4.659 9.120 1.00 0.00 C ATOM 563 C THR A 39 -3.502 -4.475 8.468 1.00 0.00 C ATOM 564 O THR A 39 -2.812 -5.447 8.161 1.00 0.00 O ATOM 565 CB THR A 39 -4.697 -5.155 10.557 1.00 0.00 C ATOM 566 OG1 THR A 39 -5.836 -5.885 10.976 1.00 0.00 O ATOM 567 CG2 THR A 39 -4.476 -4.039 11.553 1.00 0.00 C ATOM 0 H THR A 39 -5.259 -6.488 8.166 1.00 0.00 H new ATOM 0 HA THR A 39 -5.375 -3.693 9.129 1.00 0.00 H new ATOM 0 HB THR A 39 -3.808 -5.785 10.539 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.705 -6.195 11.896 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.361 -4.460 12.552 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.575 -3.486 11.286 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.332 -3.365 11.540 1.00 0.00 H new ATOM 575 N VAL A 40 -3.114 -3.219 8.271 1.00 0.00 N ATOM 576 CA VAL A 40 -1.826 -2.895 7.668 1.00 0.00 C ATOM 577 C VAL A 40 -1.012 -2.018 8.591 1.00 0.00 C ATOM 578 O VAL A 40 -1.507 -1.028 9.117 1.00 0.00 O ATOM 579 CB VAL A 40 -1.992 -2.170 6.320 1.00 0.00 C ATOM 580 CG1 VAL A 40 -0.804 -1.259 6.014 1.00 0.00 C ATOM 581 CG2 VAL A 40 -2.175 -3.185 5.213 1.00 0.00 C ATOM 0 H VAL A 40 -3.676 -2.406 8.522 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.310 -3.840 7.499 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.878 -1.538 6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.961 -0.766 5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.711 -0.507 6.797 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.109 -1.853 5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.292 -2.668 4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.301 -3.835 5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.063 -3.784 5.412 1.00 0.00 H new ATOM 591 N VAL A 41 0.241 -2.372 8.775 1.00 0.00 N ATOM 592 CA VAL A 41 1.104 -1.579 9.630 1.00 0.00 C ATOM 593 C VAL A 41 2.011 -0.674 8.805 1.00 0.00 C ATOM 594 O VAL A 41 2.967 -1.132 8.181 1.00 0.00 O ATOM 595 CB VAL A 41 1.939 -2.452 10.586 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.934 -1.604 11.366 1.00 0.00 C ATOM 597 CG2 VAL A 41 1.018 -3.202 11.535 1.00 0.00 C ATOM 0 H VAL A 41 0.682 -3.189 8.353 1.00 0.00 H new ATOM 0 HA VAL A 41 0.453 -0.955 10.243 1.00 0.00 H new ATOM 0 HB VAL A 41 2.504 -3.173 9.996 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.512 -2.243 12.034 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.608 -1.102 10.671 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.396 -0.859 11.952 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.613 -3.818 12.209 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.435 -2.488 12.116 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.345 -3.839 10.961 1.00 0.00 H new ATOM 607 N LEU A 42 1.693 0.615 8.809 1.00 0.00 N ATOM 608 CA LEU A 42 2.462 1.603 8.063 1.00 0.00 C ATOM 609 C LEU A 42 3.949 1.529 8.408 1.00 0.00 C ATOM 610 O LEU A 42 4.798 1.913 7.603 1.00 0.00 O ATOM 611 CB LEU A 42 1.921 3.007 8.345 1.00 0.00 C ATOM 612 CG LEU A 42 0.612 3.356 7.631 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.753 3.150 6.130 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.541 2.523 8.181 1.00 0.00 C ATOM 0 H LEU A 42 0.902 1.002 9.324 1.00 0.00 H new ATOM 0 HA LEU A 42 2.356 1.383 7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.770 3.112 9.419 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.679 3.736 8.057 1.00 0.00 H new ATOM 0 HG LEU A 42 0.391 4.407 7.815 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.186 3.403 5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.547 3.792 5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.000 2.108 5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.461 2.787 7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.329 1.464 8.030 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.658 2.722 9.246 1.00 0.00 H new ATOM 626 N SER A 43 4.260 1.033 9.603 1.00 0.00 N ATOM 627 CA SER A 43 5.648 0.913 10.041 1.00 0.00 C ATOM 628 C SER A 43 6.395 -0.126 9.213 1.00 0.00 C ATOM 629 O SER A 43 7.607 -0.029 9.020 1.00 0.00 O ATOM 630 CB SER A 43 5.713 0.549 11.527 1.00 0.00 C ATOM 631 OG SER A 43 6.978 0.009 11.867 1.00 0.00 O ATOM 0 H SER A 43 3.572 0.709 10.283 1.00 0.00 H new ATOM 0 HA SER A 43 6.130 1.879 9.894 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.519 1.436 12.130 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.931 -0.173 11.762 1.00 0.00 H new ATOM 0 HG SER A 43 6.993 -0.213 12.821 1.00 0.00 H new ATOM 637 N THR A 44 5.662 -1.113 8.720 1.00 0.00 N ATOM 638 CA THR A 44 6.248 -2.171 7.900 1.00 0.00 C ATOM 639 C THR A 44 6.129 -1.821 6.427 1.00 0.00 C ATOM 640 O THR A 44 6.974 -2.193 5.613 1.00 0.00 O ATOM 641 CB THR A 44 5.559 -3.512 8.170 1.00 0.00 C ATOM 642 OG1 THR A 44 4.428 -3.676 7.331 1.00 0.00 O ATOM 643 CG2 THR A 44 5.092 -3.669 9.598 1.00 0.00 C ATOM 0 H THR A 44 4.658 -1.206 8.872 1.00 0.00 H new ATOM 0 HA THR A 44 7.302 -2.261 8.164 1.00 0.00 H new ATOM 0 HB THR A 44 6.317 -4.268 7.966 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.803 -2.935 7.475 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.613 -4.641 9.719 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.947 -3.599 10.270 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.378 -2.880 9.836 1.00 0.00 H new ATOM 651 N ILE A 45 5.063 -1.108 6.097 1.00 0.00 N ATOM 652 CA ILE A 45 4.803 -0.698 4.723 1.00 0.00 C ATOM 653 C ILE A 45 6.058 -0.131 4.062 1.00 0.00 C ATOM 654 O ILE A 45 6.445 1.010 4.314 1.00 0.00 O ATOM 655 CB ILE A 45 3.663 0.342 4.651 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.343 -0.281 5.118 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.519 0.891 3.238 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.057 -1.635 4.500 1.00 0.00 C ATOM 0 H ILE A 45 4.358 -0.799 6.767 1.00 0.00 H new ATOM 0 HA ILE A 45 4.496 -1.592 4.180 1.00 0.00 H new ATOM 0 HB ILE A 45 3.914 1.170 5.315 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.363 -0.384 6.203 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.525 0.399 4.877 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.710 1.621 3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.451 1.370 2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.293 0.075 2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.107 -2.014 4.877 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.003 -1.536 3.416 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.855 -2.330 4.762 1.00 0.00 H new ATOM 670 N ASP A 46 6.683 -0.940 3.214 1.00 0.00 N ATOM 671 CA ASP A 46 7.891 -0.530 2.511 1.00 0.00 C ATOM 672 C ASP A 46 7.638 0.721 1.677 1.00 0.00 C ATOM 673 O ASP A 46 8.408 1.679 1.732 1.00 0.00 O ATOM 674 CB ASP A 46 8.391 -1.661 1.610 1.00 0.00 C ATOM 675 CG ASP A 46 9.694 -1.318 0.913 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.158 -0.166 1.051 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.251 -2.202 0.229 1.00 0.00 O ATOM 0 H ASP A 46 6.371 -1.887 2.997 1.00 0.00 H new ATOM 0 HA ASP A 46 8.653 -0.302 3.256 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.529 -2.562 2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.631 -1.887 0.862 1.00 0.00 H new ATOM 682 N LYS A 47 6.554 0.706 0.904 1.00 0.00 N ATOM 683 CA LYS A 47 6.209 1.844 0.059 1.00 0.00 C ATOM 684 C LYS A 47 4.708 1.894 -0.204 1.00 0.00 C ATOM 685 O LYS A 47 4.002 0.898 -0.046 1.00 0.00 O ATOM 686 CB LYS A 47 6.960 1.774 -1.276 1.00 0.00 C ATOM 687 CG LYS A 47 8.321 1.101 -1.188 1.00 0.00 C ATOM 688 CD LYS A 47 9.060 1.161 -2.516 1.00 0.00 C ATOM 689 CE LYS A 47 8.909 -0.135 -3.296 1.00 0.00 C ATOM 690 NZ LYS A 47 9.540 -0.050 -4.643 1.00 0.00 N ATOM 0 H LYS A 47 5.904 -0.078 0.846 1.00 0.00 H new ATOM 0 HA LYS A 47 6.504 2.750 0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.346 1.235 -1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.091 2.785 -1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.918 1.586 -0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.195 0.061 -0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.677 1.991 -3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.117 1.358 -2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.362 -0.952 -2.734 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.851 -0.372 -3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.415 -0.954 -5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.091 0.713 -5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.555 0.150 -4.539 1.00 0.00 H new ATOM 704 N LEU A 48 4.232 3.062 -0.616 1.00 0.00 N ATOM 705 CA LEU A 48 2.818 3.255 -0.917 1.00 0.00 C ATOM 706 C LEU A 48 2.621 3.407 -2.422 1.00 0.00 C ATOM 707 O LEU A 48 3.547 3.780 -3.140 1.00 0.00 O ATOM 708 CB LEU A 48 2.292 4.497 -0.191 1.00 0.00 C ATOM 709 CG LEU A 48 0.827 4.845 -0.460 1.00 0.00 C ATOM 710 CD1 LEU A 48 -0.091 3.946 0.348 1.00 0.00 C ATOM 711 CD2 LEU A 48 0.564 6.308 -0.135 1.00 0.00 C ATOM 0 H LEU A 48 4.807 3.894 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 48 2.261 2.383 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.422 4.352 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.908 5.350 -0.474 1.00 0.00 H new ATOM 0 HG LEU A 48 0.620 4.682 -1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.129 4.208 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.082 2.906 0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.114 4.077 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.482 6.542 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.786 6.493 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.199 6.939 -0.757 1.00 0.00 H new ATOM 723 N GLN A 49 1.417 3.114 -2.897 1.00 0.00 N ATOM 724 CA GLN A 49 1.120 3.224 -4.320 1.00 0.00 C ATOM 725 C GLN A 49 -0.289 3.757 -4.551 1.00 0.00 C ATOM 726 O GLN A 49 -1.215 3.442 -3.803 1.00 0.00 O ATOM 727 CB GLN A 49 1.285 1.865 -5.001 1.00 0.00 C ATOM 728 CG GLN A 49 2.629 1.690 -5.693 1.00 0.00 C ATOM 729 CD GLN A 49 3.115 0.255 -5.665 1.00 0.00 C ATOM 730 OE1 GLN A 49 3.022 -0.425 -4.644 1.00 0.00 O ATOM 731 NE2 GLN A 49 3.640 -0.213 -6.792 1.00 0.00 N ATOM 0 H GLN A 49 0.635 2.800 -2.322 1.00 0.00 H new ATOM 0 HA GLN A 49 1.825 3.931 -4.756 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.164 1.078 -4.257 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.489 1.736 -5.734 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.547 2.022 -6.728 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.368 2.330 -5.211 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.697 0.386 -7.615 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.986 -1.172 -6.834 1.00 0.00 H new ATOM 740 N ALA A 50 -0.443 4.568 -5.593 1.00 0.00 N ATOM 741 CA ALA A 50 -1.736 5.149 -5.928 1.00 0.00 C ATOM 742 C ALA A 50 -1.825 5.468 -7.416 1.00 0.00 C ATOM 743 O ALA A 50 -0.897 6.032 -7.996 1.00 0.00 O ATOM 744 CB ALA A 50 -1.984 6.402 -5.102 1.00 0.00 C ATOM 0 H ALA A 50 0.314 4.838 -6.221 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.507 4.415 -5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.954 6.824 -5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.973 6.147 -4.042 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.202 7.134 -5.307 1.00 0.00 H new ATOM 750 N THR A 51 -2.946 5.101 -8.029 1.00 0.00 N ATOM 751 CA THR A 51 -3.156 5.346 -9.451 1.00 0.00 C ATOM 752 C THR A 51 -3.031 6.828 -9.778 1.00 0.00 C ATOM 753 O THR A 51 -3.342 7.691 -8.957 1.00 0.00 O ATOM 754 CB THR A 51 -4.528 4.826 -9.886 1.00 0.00 C ATOM 755 OG1 THR A 51 -5.444 4.867 -8.807 1.00 0.00 O ATOM 756 CG2 THR A 51 -4.491 3.404 -10.403 1.00 0.00 C ATOM 0 H THR A 51 -3.723 4.633 -7.563 1.00 0.00 H new ATOM 0 HA THR A 51 -2.383 4.809 -10.000 1.00 0.00 H new ATOM 0 HB THR A 51 -4.843 5.483 -10.697 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.844 5.760 -8.751 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.495 3.097 -10.694 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.829 3.348 -11.267 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.122 2.742 -9.620 1.00 0.00 H new ATOM 764 N PRO A 52 -2.573 7.128 -10.998 1.00 0.00 N ATOM 765 CA PRO A 52 -2.394 8.483 -11.484 1.00 0.00 C ATOM 766 C PRO A 52 -3.675 9.060 -12.062 1.00 0.00 C ATOM 767 O PRO A 52 -4.616 8.326 -12.367 1.00 0.00 O ATOM 768 CB PRO A 52 -1.324 8.339 -12.572 1.00 0.00 C ATOM 769 CG PRO A 52 -1.162 6.868 -12.815 1.00 0.00 C ATOM 770 CD PRO A 52 -2.217 6.156 -12.030 1.00 0.00 C ATOM 0 HA PRO A 52 -2.110 9.168 -10.685 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.627 8.852 -13.485 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.383 8.786 -12.252 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.259 6.643 -13.877 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.170 6.537 -12.509 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.074 5.895 -12.651 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.841 5.228 -11.598 1.00 0.00 H new ATOM 778 N ALA A 53 -3.700 10.373 -12.231 1.00 0.00 N ATOM 779 CA ALA A 53 -4.861 11.039 -12.798 1.00 0.00 C ATOM 780 C ALA A 53 -5.111 10.583 -14.239 1.00 0.00 C ATOM 781 O ALA A 53 -6.123 10.948 -14.838 1.00 0.00 O ATOM 782 CB ALA A 53 -4.680 12.549 -12.744 1.00 0.00 C ATOM 0 H ALA A 53 -2.931 10.997 -11.984 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.732 10.766 -12.203 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.556 13.036 -13.172 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.559 12.864 -11.708 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.794 12.830 -13.314 1.00 0.00 H new ATOM 788 N SER A 54 -4.192 9.786 -14.796 1.00 0.00 N ATOM 789 CA SER A 54 -4.341 9.299 -16.163 1.00 0.00 C ATOM 790 C SER A 54 -5.075 7.962 -16.195 1.00 0.00 C ATOM 791 O SER A 54 -5.642 7.579 -17.219 1.00 0.00 O ATOM 792 CB SER A 54 -2.971 9.159 -16.830 1.00 0.00 C ATOM 793 OG SER A 54 -2.560 10.382 -17.416 1.00 0.00 O ATOM 0 H SER A 54 -3.346 9.469 -14.322 1.00 0.00 H new ATOM 0 HA SER A 54 -4.935 10.028 -16.715 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.235 8.841 -16.092 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.013 8.382 -17.594 1.00 0.00 H new ATOM 0 HG SER A 54 -1.681 10.266 -17.834 1.00 0.00 H new ATOM 799 N SER A 55 -5.063 7.257 -15.070 1.00 0.00 N ATOM 800 CA SER A 55 -5.729 5.963 -14.972 1.00 0.00 C ATOM 801 C SER A 55 -7.210 6.139 -14.654 1.00 0.00 C ATOM 802 O SER A 55 -7.575 6.853 -13.721 1.00 0.00 O ATOM 803 CB SER A 55 -5.063 5.103 -13.897 1.00 0.00 C ATOM 804 OG SER A 55 -5.702 3.843 -13.784 1.00 0.00 O ATOM 0 H SER A 55 -4.600 7.559 -14.213 1.00 0.00 H new ATOM 0 HA SER A 55 -5.639 5.461 -15.935 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.010 4.960 -14.142 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.100 5.620 -12.938 1.00 0.00 H new ATOM 0 HG SER A 55 -6.189 3.798 -12.935 1.00 0.00 H new ATOM 810 N GLU A 56 -8.060 5.483 -15.438 1.00 0.00 N ATOM 811 CA GLU A 56 -9.503 5.568 -15.239 1.00 0.00 C ATOM 812 C GLU A 56 -9.935 4.777 -14.010 1.00 0.00 C ATOM 813 O GLU A 56 -10.969 5.064 -13.407 1.00 0.00 O ATOM 814 CB GLU A 56 -10.241 5.053 -16.477 1.00 0.00 C ATOM 815 CG GLU A 56 -11.725 5.383 -16.482 1.00 0.00 C ATOM 816 CD GLU A 56 -12.227 5.788 -17.853 1.00 0.00 C ATOM 817 OE1 GLU A 56 -11.867 6.891 -18.315 1.00 0.00 O ATOM 818 OE2 GLU A 56 -12.980 5.002 -18.464 1.00 0.00 O ATOM 0 H GLU A 56 -7.775 4.888 -16.216 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.759 6.615 -15.080 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.780 5.479 -17.368 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.118 3.972 -16.540 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.287 4.516 -16.135 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.916 6.191 -15.776 1.00 0.00 H new ATOM 825 N LYS A 57 -9.138 3.781 -13.644 1.00 0.00 N ATOM 826 CA LYS A 57 -9.439 2.946 -12.486 1.00 0.00 C ATOM 827 C LYS A 57 -8.583 3.347 -11.289 1.00 0.00 C ATOM 828 O LYS A 57 -7.361 3.198 -11.310 1.00 0.00 O ATOM 829 CB LYS A 57 -9.210 1.467 -12.812 1.00 0.00 C ATOM 830 CG LYS A 57 -9.527 1.095 -14.254 1.00 0.00 C ATOM 831 CD LYS A 57 -10.926 1.538 -14.650 1.00 0.00 C ATOM 832 CE LYS A 57 -11.986 0.886 -13.776 1.00 0.00 C ATOM 833 NZ LYS A 57 -13.330 0.918 -14.416 1.00 0.00 N ATOM 0 H LYS A 57 -8.278 3.531 -14.132 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.489 3.095 -12.232 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.170 1.216 -12.603 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.824 0.860 -12.147 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.797 1.556 -14.919 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.437 0.016 -14.381 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.002 2.622 -14.568 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.107 1.284 -15.694 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.705 -0.148 -13.574 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.029 1.398 -12.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.024 0.464 -13.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.610 1.905 -14.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.296 0.407 -15.321 1.00 0.00 H new ATOM 847 N MET A 58 -9.233 3.856 -10.248 1.00 0.00 N ATOM 848 CA MET A 58 -8.532 4.277 -9.041 1.00 0.00 C ATOM 849 C MET A 58 -8.194 3.077 -8.162 1.00 0.00 C ATOM 850 O MET A 58 -9.085 2.370 -7.692 1.00 0.00 O ATOM 851 CB MET A 58 -9.385 5.274 -8.254 1.00 0.00 C ATOM 852 CG MET A 58 -9.297 6.695 -8.780 1.00 0.00 C ATOM 853 SD MET A 58 -10.579 7.069 -9.992 1.00 0.00 S ATOM 854 CE MET A 58 -9.644 6.937 -11.513 1.00 0.00 C ATOM 0 H MET A 58 -10.244 3.987 -10.216 1.00 0.00 H new ATOM 0 HA MET A 58 -7.602 4.760 -9.340 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.425 4.949 -8.280 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.073 5.262 -7.210 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.377 7.392 -7.946 1.00 0.00 H new ATOM 0 HG3 MET A 58 -8.318 6.850 -9.233 1.00 0.00 H new ATOM 0 HE1 MET A 58 -10.298 7.141 -12.361 1.00 0.00 H new ATOM 0 HE2 MET A 58 -8.828 7.659 -11.502 1.00 0.00 H new ATOM 0 HE3 MET A 58 -9.236 5.930 -11.603 1.00 0.00 H new ATOM 864 N MET A 59 -6.902 2.852 -7.942 1.00 0.00 N ATOM 865 CA MET A 59 -6.453 1.737 -7.117 1.00 0.00 C ATOM 866 C MET A 59 -5.154 2.078 -6.395 1.00 0.00 C ATOM 867 O MET A 59 -4.257 2.695 -6.968 1.00 0.00 O ATOM 868 CB MET A 59 -6.257 0.486 -7.976 1.00 0.00 C ATOM 869 CG MET A 59 -7.516 0.048 -8.707 1.00 0.00 C ATOM 870 SD MET A 59 -7.233 -1.368 -9.788 1.00 0.00 S ATOM 871 CE MET A 59 -5.868 -0.770 -10.780 1.00 0.00 C ATOM 0 H MET A 59 -6.150 3.426 -8.323 1.00 0.00 H new ATOM 0 HA MET A 59 -7.222 1.542 -6.369 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.470 0.676 -8.706 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.912 -0.330 -7.341 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.286 -0.204 -7.978 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.897 0.881 -9.298 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.838 -1.314 -11.724 1.00 0.00 H new ATOM 0 HE2 MET A 59 -6.001 0.294 -10.978 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.932 -0.925 -10.243 1.00 0.00 H new ATOM 881 N LEU A 60 -5.062 1.669 -5.133 1.00 0.00 N ATOM 882 CA LEU A 60 -3.870 1.929 -4.331 1.00 0.00 C ATOM 883 C LEU A 60 -3.220 0.626 -3.875 1.00 0.00 C ATOM 884 O LEU A 60 -3.907 -0.321 -3.493 1.00 0.00 O ATOM 885 CB LEU A 60 -4.226 2.783 -3.113 1.00 0.00 C ATOM 886 CG LEU A 60 -4.375 4.280 -3.387 1.00 0.00 C ATOM 887 CD1 LEU A 60 -5.709 4.572 -4.056 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.240 5.074 -2.097 1.00 0.00 C ATOM 0 H LEU A 60 -5.797 1.157 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.158 2.470 -4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.160 2.413 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.456 2.644 -2.354 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.578 4.586 -4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.796 5.642 -4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.768 4.033 -5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.521 4.250 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.349 6.137 -2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.015 4.764 -1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.259 4.891 -1.658 1.00 0.00 H new ATOM 900 N ARG A 61 -1.891 0.588 -3.913 1.00 0.00 N ATOM 901 CA ARG A 61 -1.146 -0.595 -3.498 1.00 0.00 C ATOM 902 C ARG A 61 -0.321 -0.298 -2.251 1.00 0.00 C ATOM 903 O ARG A 61 0.164 0.818 -2.068 1.00 0.00 O ATOM 904 CB ARG A 61 -0.241 -1.083 -4.629 1.00 0.00 C ATOM 905 CG ARG A 61 -0.910 -2.087 -5.551 1.00 0.00 C ATOM 906 CD ARG A 61 -0.122 -2.276 -6.838 1.00 0.00 C ATOM 907 NE ARG A 61 0.705 -3.479 -6.803 1.00 0.00 N ATOM 908 CZ ARG A 61 1.534 -3.838 -7.782 1.00 0.00 C ATOM 909 NH1 ARG A 61 1.649 -3.088 -8.871 1.00 0.00 N ATOM 910 NH2 ARG A 61 2.249 -4.948 -7.671 1.00 0.00 N ATOM 0 H ARG A 61 -1.308 1.364 -4.227 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.860 -1.383 -3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.088 -0.225 -5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.652 -1.536 -4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.007 -3.044 -5.039 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.919 -1.749 -5.788 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.812 -2.335 -7.680 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.512 -1.405 -7.006 1.00 0.00 H new ATOM 0 HE ARG A 61 0.644 -4.080 -5.981 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.101 -2.232 -8.961 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.285 -3.367 -9.618 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.165 -5.528 -6.836 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.884 -5.223 -8.421 1.00 0.00 H new ATOM 924 N LEU A 62 -0.179 -1.299 -1.389 1.00 0.00 N ATOM 925 CA LEU A 62 0.573 -1.138 -0.150 1.00 0.00 C ATOM 926 C LEU A 62 1.632 -2.226 0.009 1.00 0.00 C ATOM 927 O LEU A 62 1.312 -3.377 0.307 1.00 0.00 O ATOM 928 CB LEU A 62 -0.387 -1.166 1.042 1.00 0.00 C ATOM 929 CG LEU A 62 -0.120 -0.146 2.162 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.780 0.989 1.702 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.432 0.412 2.677 1.00 0.00 C ATOM 0 H LEU A 62 -0.574 -2.229 -1.525 1.00 0.00 H new ATOM 0 HA LEU A 62 1.086 -0.177 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.399 -1.006 0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.362 -2.165 1.477 1.00 0.00 H new ATOM 0 HG LEU A 62 0.399 -0.671 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.940 1.684 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.739 0.584 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.308 1.514 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.234 1.133 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.963 0.905 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.044 -0.400 3.070 1.00 0.00 H new ATOM 943 N ILE A 63 2.894 -1.851 -0.175 1.00 0.00 N ATOM 944 CA ILE A 63 3.998 -2.792 -0.035 1.00 0.00 C ATOM 945 C ILE A 63 4.459 -2.855 1.415 1.00 0.00 C ATOM 946 O ILE A 63 4.571 -1.829 2.082 1.00 0.00 O ATOM 947 CB ILE A 63 5.190 -2.404 -0.937 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.769 -2.440 -2.403 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.372 -3.338 -0.708 1.00 0.00 C ATOM 950 CD1 ILE A 63 4.244 -3.791 -2.833 1.00 0.00 C ATOM 0 H ILE A 63 3.177 -0.902 -0.421 1.00 0.00 H new ATOM 0 HA ILE A 63 3.635 -3.771 -0.346 1.00 0.00 H new ATOM 0 HB ILE A 63 5.500 -1.392 -0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.000 -1.686 -2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.622 -2.172 -3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.199 -3.044 -1.355 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.687 -3.277 0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.077 -4.362 -0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.961 -3.753 -3.885 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.019 -4.544 -2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.373 -4.051 -2.232 1.00 0.00 H new ATOM 962 N GLY A 64 4.721 -4.065 1.897 1.00 0.00 N ATOM 963 CA GLY A 64 5.164 -4.238 3.269 1.00 0.00 C ATOM 964 C GLY A 64 6.629 -4.612 3.369 1.00 0.00 C ATOM 965 O GLY A 64 7.382 -4.463 2.406 1.00 0.00 O ATOM 0 H GLY A 64 4.635 -4.929 1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.991 -3.314 3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.563 -5.012 3.746 1.00 0.00 H new ATOM 969 N LYS A 65 7.035 -5.094 4.538 1.00 0.00 N ATOM 970 CA LYS A 65 8.420 -5.490 4.761 1.00 0.00 C ATOM 971 C LYS A 65 8.522 -6.982 5.056 1.00 0.00 C ATOM 972 O LYS A 65 7.803 -7.509 5.905 1.00 0.00 O ATOM 973 CB LYS A 65 9.023 -4.688 5.917 1.00 0.00 C ATOM 974 CG LYS A 65 10.207 -3.826 5.511 1.00 0.00 C ATOM 975 CD LYS A 65 9.922 -3.060 4.231 1.00 0.00 C ATOM 976 CE LYS A 65 10.619 -1.708 4.223 1.00 0.00 C ATOM 977 NZ LYS A 65 10.152 -0.832 5.334 1.00 0.00 N ATOM 0 H LYS A 65 6.425 -5.220 5.346 1.00 0.00 H new ATOM 0 HA LYS A 65 8.980 -5.280 3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.251 -4.050 6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.339 -5.377 6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.440 -3.125 6.312 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.086 -4.455 5.372 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.253 -3.646 3.374 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.847 -2.917 4.123 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.696 -1.855 4.306 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.437 -1.212 3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.250 0.165 5.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.154 -1.037 5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.726 -1.012 6.183 1.00 0.00 H new ATOM 991 N VAL A 66 9.432 -7.654 4.360 1.00 0.00 N ATOM 992 CA VAL A 66 9.639 -9.086 4.561 1.00 0.00 C ATOM 993 C VAL A 66 10.633 -9.333 5.686 1.00 0.00 C ATOM 994 O VAL A 66 10.879 -10.462 6.109 1.00 0.00 O ATOM 995 CB VAL A 66 10.103 -9.763 3.257 1.00 0.00 C ATOM 996 CG1 VAL A 66 11.144 -10.850 3.503 1.00 0.00 C ATOM 997 CG2 VAL A 66 8.913 -10.328 2.495 1.00 0.00 C ATOM 0 H VAL A 66 10.037 -7.234 3.654 1.00 0.00 H new ATOM 0 HA VAL A 66 8.686 -9.530 4.848 1.00 0.00 H new ATOM 0 HB VAL A 66 10.581 -8.993 2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.437 -11.295 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.019 -10.413 3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.721 -11.620 4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.261 -10.802 1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.402 -11.066 3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.223 -9.521 2.248 1.00 0.00 H new ATOM 1007 N ASP A 67 11.174 -8.239 6.157 1.00 0.00 N ATOM 1008 CA ASP A 67 12.150 -8.227 7.247 1.00 0.00 C ATOM 1009 C ASP A 67 13.180 -9.343 7.106 1.00 0.00 C ATOM 1010 O ASP A 67 13.706 -9.844 8.099 1.00 0.00 O ATOM 1011 CB ASP A 67 11.440 -8.343 8.597 1.00 0.00 C ATOM 1012 CG ASP A 67 10.865 -7.019 9.065 1.00 0.00 C ATOM 1013 OD1 ASP A 67 10.800 -6.077 8.247 1.00 0.00 O ATOM 1014 OD2 ASP A 67 10.482 -6.926 10.250 1.00 0.00 O ATOM 0 H ASP A 67 10.954 -7.310 5.797 1.00 0.00 H new ATOM 0 HA ASP A 67 12.681 -7.277 7.194 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.638 -9.077 8.521 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.143 -8.715 9.343 1.00 0.00 H new ATOM 1019 N GLU A 68 13.458 -9.719 5.864 1.00 0.00 N ATOM 1020 CA GLU A 68 14.427 -10.775 5.567 1.00 0.00 C ATOM 1021 C GLU A 68 14.290 -11.934 6.547 1.00 0.00 C ATOM 1022 O GLU A 68 15.268 -12.601 6.882 1.00 0.00 O ATOM 1023 CB GLU A 68 15.851 -10.219 5.612 1.00 0.00 C ATOM 1024 CG GLU A 68 16.311 -9.616 4.294 1.00 0.00 C ATOM 1025 CD GLU A 68 17.821 -9.579 4.166 1.00 0.00 C ATOM 1026 OE1 GLU A 68 18.466 -10.612 4.443 1.00 0.00 O ATOM 1027 OE2 GLU A 68 18.359 -8.517 3.786 1.00 0.00 O ATOM 0 H GLU A 68 13.024 -9.307 5.038 1.00 0.00 H new ATOM 0 HA GLU A 68 14.222 -11.147 4.563 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.911 -9.458 6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.536 -11.019 5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.894 -10.194 3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.917 -8.603 4.205 1.00 0.00 H new ATOM 1034 N SER A 69 13.065 -12.158 7.006 1.00 0.00 N ATOM 1035 CA SER A 69 12.791 -13.231 7.955 1.00 0.00 C ATOM 1036 C SER A 69 11.498 -13.960 7.605 1.00 0.00 C ATOM 1037 O SER A 69 10.845 -14.536 8.475 1.00 0.00 O ATOM 1038 CB SER A 69 12.702 -12.669 9.375 1.00 0.00 C ATOM 1039 OG SER A 69 12.833 -13.698 10.341 1.00 0.00 O ATOM 0 H SER A 69 12.246 -11.612 6.737 1.00 0.00 H new ATOM 0 HA SER A 69 13.612 -13.946 7.900 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.484 -11.924 9.524 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.747 -12.160 9.509 1.00 0.00 H new ATOM 0 HG SER A 69 12.203 -14.421 10.137 1.00 0.00 H new ATOM 1045 N LYS A 70 11.132 -13.931 6.328 1.00 0.00 N ATOM 1046 CA LYS A 70 9.914 -14.592 5.872 1.00 0.00 C ATOM 1047 C LYS A 70 10.184 -15.470 4.653 1.00 0.00 C ATOM 1048 O LYS A 70 9.279 -15.746 3.866 1.00 0.00 O ATOM 1049 CB LYS A 70 8.843 -13.552 5.537 1.00 0.00 C ATOM 1050 CG LYS A 70 8.706 -12.460 6.585 1.00 0.00 C ATOM 1051 CD LYS A 70 7.885 -12.929 7.775 1.00 0.00 C ATOM 1052 CE LYS A 70 6.450 -12.435 7.691 1.00 0.00 C ATOM 1053 NZ LYS A 70 5.907 -12.076 9.031 1.00 0.00 N ATOM 0 H LYS A 70 11.659 -13.459 5.593 1.00 0.00 H new ATOM 0 HA LYS A 70 9.557 -15.231 6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.081 -13.094 4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.883 -14.055 5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.696 -12.153 6.923 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.235 -11.584 6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.894 -14.018 7.818 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.341 -12.570 8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.403 -11.565 7.035 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.826 -13.207 7.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.927 -11.744 8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.928 -12.912 9.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.487 -11.321 9.450 1.00 0.00 H new ATOM 1067 N LYS A 71 11.431 -15.909 4.499 1.00 0.00 N ATOM 1068 CA LYS A 71 11.799 -16.758 3.368 1.00 0.00 C ATOM 1069 C LYS A 71 11.016 -18.066 3.396 1.00 0.00 C ATOM 1070 O LYS A 71 10.650 -18.558 4.463 1.00 0.00 O ATOM 1071 CB LYS A 71 13.300 -17.057 3.358 1.00 0.00 C ATOM 1072 CG LYS A 71 13.887 -17.297 4.734 1.00 0.00 C ATOM 1073 CD LYS A 71 14.509 -16.031 5.286 1.00 0.00 C ATOM 1074 CE LYS A 71 14.515 -16.031 6.805 1.00 0.00 C ATOM 1075 NZ LYS A 71 15.553 -15.119 7.358 1.00 0.00 N ATOM 0 H LYS A 71 12.198 -15.694 5.136 1.00 0.00 H new ATOM 0 HA LYS A 71 11.550 -16.211 2.458 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.482 -17.935 2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.824 -16.223 2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.107 -17.648 5.410 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.640 -18.083 4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.530 -15.935 4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.956 -15.164 4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.534 -15.728 7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.692 -17.044 7.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.415 -15.017 8.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 16.497 -15.515 7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.474 -14.187 6.904 1.00 0.00 H new ATOM 1089 N ARG A 72 10.765 -18.628 2.217 1.00 0.00 N ATOM 1090 CA ARG A 72 10.028 -19.883 2.111 1.00 0.00 C ATOM 1091 C ARG A 72 9.906 -20.322 0.656 1.00 0.00 C ATOM 1092 O ARG A 72 10.216 -19.562 -0.262 1.00 0.00 O ATOM 1093 CB ARG A 72 8.638 -19.738 2.732 1.00 0.00 C ATOM 1094 CG ARG A 72 7.880 -18.514 2.249 1.00 0.00 C ATOM 1095 CD ARG A 72 7.154 -18.788 0.943 1.00 0.00 C ATOM 1096 NE ARG A 72 6.077 -17.831 0.703 1.00 0.00 N ATOM 1097 CZ ARG A 72 5.372 -17.776 -0.425 1.00 0.00 C ATOM 1098 NH1 ARG A 72 5.627 -18.620 -1.417 1.00 0.00 N ATOM 1099 NH2 ARG A 72 4.409 -16.875 -0.560 1.00 0.00 N ATOM 0 H ARG A 72 11.061 -18.235 1.323 1.00 0.00 H new ATOM 0 HA ARG A 72 10.582 -20.647 2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.053 -20.630 2.505 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.737 -19.689 3.816 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.161 -18.207 3.009 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.574 -17.685 2.113 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.865 -18.748 0.118 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.744 -19.798 0.961 1.00 0.00 H new ATOM 0 HE ARG A 72 5.852 -17.166 1.443 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.366 -19.316 -1.317 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.084 -18.573 -2.279 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.209 -16.225 0.200 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.868 -16.832 -1.424 1.00 0.00 H new ATOM 1113 N LYS A 73 9.453 -21.555 0.452 1.00 0.00 N ATOM 1114 CA LYS A 73 9.290 -22.099 -0.892 1.00 0.00 C ATOM 1115 C LYS A 73 8.267 -21.294 -1.686 1.00 0.00 C ATOM 1116 O LYS A 73 7.452 -20.569 -1.114 1.00 0.00 O ATOM 1117 CB LYS A 73 8.860 -23.565 -0.822 1.00 0.00 C ATOM 1118 CG LYS A 73 9.635 -24.380 0.203 1.00 0.00 C ATOM 1119 CD LYS A 73 10.450 -25.481 -0.456 1.00 0.00 C ATOM 1120 CE LYS A 73 11.230 -26.287 0.570 1.00 0.00 C ATOM 1121 NZ LYS A 73 11.260 -27.736 0.233 1.00 0.00 N ATOM 0 H LYS A 73 9.192 -22.197 1.201 1.00 0.00 H new ATOM 0 HA LYS A 73 10.251 -22.033 -1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.798 -23.612 -0.583 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.986 -24.019 -1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.298 -23.722 0.765 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.941 -24.820 0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.786 -26.143 -1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.140 -25.042 -1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.250 -25.907 0.630 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.781 -26.153 1.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.801 -28.250 0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.288 -28.105 0.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.711 -27.867 -0.695 1.00 0.00 H new ATOM 1135 N ASP A 74 8.314 -21.426 -3.007 1.00 0.00 N ATOM 1136 CA ASP A 74 7.391 -20.712 -3.881 1.00 0.00 C ATOM 1137 C ASP A 74 6.262 -21.625 -4.349 1.00 0.00 C ATOM 1138 O ASP A 74 5.721 -21.449 -5.441 1.00 0.00 O ATOM 1139 CB ASP A 74 8.136 -20.142 -5.090 1.00 0.00 C ATOM 1140 CG ASP A 74 9.058 -21.157 -5.740 1.00 0.00 C ATOM 1141 OD1 ASP A 74 9.052 -22.329 -5.308 1.00 0.00 O ATOM 1142 OD2 ASP A 74 9.787 -20.778 -6.681 1.00 0.00 O ATOM 0 H ASP A 74 8.982 -22.021 -3.496 1.00 0.00 H new ATOM 0 HA ASP A 74 6.956 -19.891 -3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.412 -19.791 -5.826 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.719 -19.275 -4.777 1.00 0.00 H new ATOM 1147 N ASN A 75 5.910 -22.601 -3.513 1.00 0.00 N ATOM 1148 CA ASN A 75 4.841 -23.548 -3.834 1.00 0.00 C ATOM 1149 C ASN A 75 5.298 -24.598 -4.846 1.00 0.00 C ATOM 1150 O ASN A 75 4.525 -25.477 -5.228 1.00 0.00 O ATOM 1151 CB ASN A 75 3.615 -22.809 -4.376 1.00 0.00 C ATOM 1152 CG ASN A 75 2.337 -23.608 -4.211 1.00 0.00 C ATOM 1153 OD1 ASN A 75 2.372 -24.810 -3.945 1.00 0.00 O ATOM 1154 ND2 ASN A 75 1.199 -22.942 -4.368 1.00 0.00 N ATOM 0 H ASN A 75 6.350 -22.757 -2.606 1.00 0.00 H new ATOM 0 HA ASN A 75 4.576 -24.061 -2.910 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.512 -21.854 -3.860 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.767 -22.586 -5.432 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.307 -23.426 -4.269 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.217 -21.946 -4.588 1.00 0.00 H new ATOM 1161 N GLU A 76 6.552 -24.508 -5.280 1.00 0.00 N ATOM 1162 CA GLU A 76 7.096 -25.455 -6.247 1.00 0.00 C ATOM 1163 C GLU A 76 8.051 -26.424 -5.567 1.00 0.00 C ATOM 1164 O GLU A 76 8.194 -27.574 -5.984 1.00 0.00 O ATOM 1165 CB GLU A 76 7.823 -24.712 -7.371 1.00 0.00 C ATOM 1166 CG GLU A 76 7.316 -23.299 -7.601 1.00 0.00 C ATOM 1167 CD GLU A 76 8.160 -22.530 -8.598 1.00 0.00 C ATOM 1168 OE1 GLU A 76 8.882 -23.175 -9.386 1.00 0.00 O ATOM 1169 OE2 GLU A 76 8.098 -21.282 -8.591 1.00 0.00 O ATOM 0 H GLU A 76 7.210 -23.789 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 76 6.267 -26.020 -6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.887 -24.673 -7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.719 -25.280 -8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.287 -23.340 -7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.303 -22.763 -6.652 1.00 0.00 H new ATOM 1176 N GLY A 77 8.701 -25.946 -4.518 1.00 0.00 N ATOM 1177 CA GLY A 77 9.642 -26.769 -3.782 1.00 0.00 C ATOM 1178 C GLY A 77 11.032 -26.164 -3.735 1.00 0.00 C ATOM 1179 O GLY A 77 12.030 -26.884 -3.719 1.00 0.00 O ATOM 0 H GLY A 77 8.594 -24.997 -4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.277 -26.911 -2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.694 -27.755 -4.243 1.00 0.00 H new ATOM 1183 N ASN A 78 11.098 -24.836 -3.713 1.00 0.00 N ATOM 1184 CA ASN A 78 12.376 -24.136 -3.667 1.00 0.00 C ATOM 1185 C ASN A 78 12.305 -22.937 -2.727 1.00 0.00 C ATOM 1186 O ASN A 78 11.722 -21.905 -3.063 1.00 0.00 O ATOM 1187 CB ASN A 78 12.780 -23.676 -5.069 1.00 0.00 C ATOM 1188 CG ASN A 78 13.626 -24.705 -5.793 1.00 0.00 C ATOM 1189 OD1 ASN A 78 14.819 -24.845 -5.524 1.00 0.00 O ATOM 1190 ND2 ASN A 78 13.010 -25.432 -6.719 1.00 0.00 N ATOM 0 H ASN A 78 10.282 -24.224 -3.726 1.00 0.00 H new ATOM 0 HA ASN A 78 13.128 -24.828 -3.289 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.883 -23.471 -5.654 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.334 -22.740 -4.996 1.00 0.00 H new ATOM 0 HD21 ASN A 78 13.528 -26.140 -7.240 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.019 -25.282 -6.909 1.00 0.00 H new ATOM 1197 N GLU A 79 12.902 -23.079 -1.548 1.00 0.00 N ATOM 1198 CA GLU A 79 12.907 -22.008 -0.557 1.00 0.00 C ATOM 1199 C GLU A 79 13.501 -20.728 -1.138 1.00 0.00 C ATOM 1200 O GLU A 79 14.712 -20.630 -1.339 1.00 0.00 O ATOM 1201 CB GLU A 79 13.698 -22.434 0.681 1.00 0.00 C ATOM 1202 CG GLU A 79 13.603 -21.447 1.834 1.00 0.00 C ATOM 1203 CD GLU A 79 13.534 -22.133 3.184 1.00 0.00 C ATOM 1204 OE1 GLU A 79 12.549 -22.858 3.433 1.00 0.00 O ATOM 1205 OE2 GLU A 79 14.467 -21.943 3.993 1.00 0.00 O ATOM 0 H GLU A 79 13.389 -23.926 -1.255 1.00 0.00 H new ATOM 0 HA GLU A 79 11.874 -21.809 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.337 -23.406 1.016 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.745 -22.560 0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.467 -20.783 1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.719 -20.823 1.702 1.00 0.00 H new ATOM 1212 N VAL A 80 12.641 -19.752 -1.406 1.00 0.00 N ATOM 1213 CA VAL A 80 13.080 -18.478 -1.965 1.00 0.00 C ATOM 1214 C VAL A 80 12.755 -17.323 -1.022 1.00 0.00 C ATOM 1215 O VAL A 80 12.271 -17.534 0.089 1.00 0.00 O ATOM 1216 CB VAL A 80 12.426 -18.211 -3.337 1.00 0.00 C ATOM 1217 CG1 VAL A 80 12.736 -19.343 -4.304 1.00 0.00 C ATOM 1218 CG2 VAL A 80 10.922 -18.022 -3.190 1.00 0.00 C ATOM 0 H VAL A 80 11.636 -19.818 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 80 14.160 -18.543 -2.094 1.00 0.00 H new ATOM 0 HB VAL A 80 12.844 -17.290 -3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.267 -19.138 -5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.815 -19.424 -4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.349 -20.280 -3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 80 10.481 -17.835 -4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.482 -18.922 -2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.724 -17.173 -2.535 1.00 0.00 H new ATOM 1228 N VAL A 81 13.021 -16.104 -1.478 1.00 0.00 N ATOM 1229 CA VAL A 81 12.752 -14.914 -0.682 1.00 0.00 C ATOM 1230 C VAL A 81 11.532 -14.169 -1.219 1.00 0.00 C ATOM 1231 O VAL A 81 11.665 -13.150 -1.896 1.00 0.00 O ATOM 1232 CB VAL A 81 13.962 -13.959 -0.670 1.00 0.00 C ATOM 1233 CG1 VAL A 81 13.718 -12.797 0.281 1.00 0.00 C ATOM 1234 CG2 VAL A 81 15.232 -14.707 -0.291 1.00 0.00 C ATOM 0 H VAL A 81 13.423 -15.915 -2.396 1.00 0.00 H new ATOM 0 HA VAL A 81 12.557 -15.247 0.337 1.00 0.00 H new ATOM 0 HB VAL A 81 14.091 -13.556 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.583 -12.134 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.835 -12.244 -0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.560 -13.179 1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 81 16.075 -14.015 -0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.116 -15.141 0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 81 15.417 -15.501 -1.015 1.00 0.00 H new ATOM 1244 N PRO A 82 10.321 -14.676 -0.928 1.00 0.00 N ATOM 1245 CA PRO A 82 9.073 -14.063 -1.386 1.00 0.00 C ATOM 1246 C PRO A 82 9.015 -12.568 -1.096 1.00 0.00 C ATOM 1247 O PRO A 82 9.422 -12.114 -0.027 1.00 0.00 O ATOM 1248 CB PRO A 82 7.979 -14.804 -0.604 1.00 0.00 C ATOM 1249 CG PRO A 82 8.694 -15.628 0.412 1.00 0.00 C ATOM 1250 CD PRO A 82 10.065 -15.882 -0.136 1.00 0.00 C ATOM 0 HA PRO A 82 8.964 -14.148 -2.467 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.295 -14.102 -0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.382 -15.431 -1.266 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.748 -15.105 1.367 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.168 -16.566 0.591 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.801 -16.010 0.657 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.096 -16.783 -0.748 1.00 0.00 H new ATOM 1258 N LYS A 83 8.504 -11.808 -2.059 1.00 0.00 N ATOM 1259 CA LYS A 83 8.387 -10.362 -1.917 1.00 0.00 C ATOM 1260 C LYS A 83 7.596 -9.997 -0.661 1.00 0.00 C ATOM 1261 O LYS A 83 6.947 -10.851 -0.057 1.00 0.00 O ATOM 1262 CB LYS A 83 7.710 -9.767 -3.154 1.00 0.00 C ATOM 1263 CG LYS A 83 8.690 -9.196 -4.168 1.00 0.00 C ATOM 1264 CD LYS A 83 8.815 -10.091 -5.391 1.00 0.00 C ATOM 1265 CE LYS A 83 7.973 -9.575 -6.546 1.00 0.00 C ATOM 1266 NZ LYS A 83 6.654 -10.261 -6.622 1.00 0.00 N ATOM 0 H LYS A 83 8.163 -12.172 -2.949 1.00 0.00 H new ATOM 0 HA LYS A 83 9.390 -9.946 -1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.109 -10.539 -3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.025 -8.980 -2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.360 -8.204 -4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.668 -9.077 -3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.860 -10.147 -5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.503 -11.104 -5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.818 -8.502 -6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.512 -9.721 -7.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.937 -9.596 -6.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.722 -11.074 -7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.380 -10.593 -5.675 1.00 0.00 H new ATOM 1280 N PRO A 84 7.635 -8.715 -0.254 1.00 0.00 N ATOM 1281 CA PRO A 84 6.915 -8.238 0.933 1.00 0.00 C ATOM 1282 C PRO A 84 5.404 -8.377 0.784 1.00 0.00 C ATOM 1283 O PRO A 84 4.901 -8.621 -0.313 1.00 0.00 O ATOM 1284 CB PRO A 84 7.302 -6.761 1.021 1.00 0.00 C ATOM 1285 CG PRO A 84 7.721 -6.400 -0.357 1.00 0.00 C ATOM 1286 CD PRO A 84 8.374 -7.629 -0.916 1.00 0.00 C ATOM 0 HA PRO A 84 7.174 -8.813 1.822 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.462 -6.150 1.353 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.111 -6.605 1.735 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.864 -6.102 -0.962 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.413 -5.558 -0.348 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.282 -7.679 -2.001 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.439 -7.663 -0.684 1.00 0.00 H new ATOM 1294 N GLN A 85 4.682 -8.213 1.887 1.00 0.00 N ATOM 1295 CA GLN A 85 3.228 -8.314 1.863 1.00 0.00 C ATOM 1296 C GLN A 85 2.634 -7.209 0.997 1.00 0.00 C ATOM 1297 O GLN A 85 2.755 -6.026 1.313 1.00 0.00 O ATOM 1298 CB GLN A 85 2.658 -8.234 3.280 1.00 0.00 C ATOM 1299 CG GLN A 85 3.079 -6.988 4.041 1.00 0.00 C ATOM 1300 CD GLN A 85 2.582 -6.984 5.474 1.00 0.00 C ATOM 1301 OE1 GLN A 85 1.396 -6.778 5.731 1.00 0.00 O ATOM 1302 NE2 GLN A 85 3.490 -7.211 6.415 1.00 0.00 N ATOM 0 H GLN A 85 5.078 -8.010 2.805 1.00 0.00 H new ATOM 0 HA GLN A 85 2.960 -9.280 1.435 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.570 -8.265 3.226 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.975 -9.114 3.839 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.167 -6.915 4.037 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.698 -6.106 3.526 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.462 -7.377 6.156 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.215 -7.220 7.397 1.00 0.00 H new ATOM 1311 N ARG A 86 2.002 -7.601 -0.103 1.00 0.00 N ATOM 1312 CA ARG A 86 1.400 -6.640 -1.021 1.00 0.00 C ATOM 1313 C ARG A 86 -0.117 -6.606 -0.871 1.00 0.00 C ATOM 1314 O ARG A 86 -0.802 -7.591 -1.147 1.00 0.00 O ATOM 1315 CB ARG A 86 1.772 -6.983 -2.464 1.00 0.00 C ATOM 1316 CG ARG A 86 3.268 -7.130 -2.689 1.00 0.00 C ATOM 1317 CD ARG A 86 3.577 -8.250 -3.669 1.00 0.00 C ATOM 1318 NE ARG A 86 3.732 -9.538 -2.999 1.00 0.00 N ATOM 1319 CZ ARG A 86 3.899 -10.692 -3.640 1.00 0.00 C ATOM 1320 NH1 ARG A 86 3.934 -10.724 -4.966 1.00 0.00 N ATOM 1321 NH2 ARG A 86 4.032 -11.819 -2.953 1.00 0.00 N ATOM 0 H ARG A 86 1.893 -8.576 -0.381 1.00 0.00 H new ATOM 0 HA ARG A 86 1.789 -5.652 -0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.278 -7.912 -2.747 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.389 -6.205 -3.124 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.674 -6.192 -3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.762 -7.331 -1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.776 -8.319 -4.405 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.491 -8.013 -4.214 1.00 0.00 H new ATOM 0 HE ARG A 86 3.711 -9.554 -1.979 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.833 -9.861 -5.500 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.062 -11.612 -5.452 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.006 -11.801 -1.933 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.160 -12.704 -3.444 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.636 -5.461 -0.440 1.00 0.00 N ATOM 1336 CA HIS A 87 -2.073 -5.291 -0.264 1.00 0.00 C ATOM 1337 C HIS A 87 -2.657 -4.477 -1.414 1.00 0.00 C ATOM 1338 O HIS A 87 -2.385 -3.283 -1.543 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.370 -4.599 1.068 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.566 -5.133 2.214 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -1.669 -6.432 2.665 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.640 -4.536 3.001 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -0.842 -6.610 3.681 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -0.206 -5.476 3.904 1.00 0.00 N ATOM 0 H HIS A 87 -0.082 -4.637 -0.206 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.537 -6.277 -0.259 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.175 -3.532 0.965 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.430 -4.709 1.296 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.305 -3.512 2.932 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.710 -7.528 4.234 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.494 -5.322 4.629 1.00 0.00 H new ATOM 1353 N MET A 88 -3.454 -5.131 -2.252 1.00 0.00 N ATOM 1354 CA MET A 88 -4.067 -4.467 -3.395 1.00 0.00 C ATOM 1355 C MET A 88 -5.390 -3.815 -3.009 1.00 0.00 C ATOM 1356 O MET A 88 -6.378 -4.500 -2.742 1.00 0.00 O ATOM 1357 CB MET A 88 -4.290 -5.465 -4.533 1.00 0.00 C ATOM 1358 CG MET A 88 -4.696 -4.811 -5.845 1.00 0.00 C ATOM 1359 SD MET A 88 -3.543 -5.164 -7.187 1.00 0.00 S ATOM 1360 CE MET A 88 -3.199 -3.511 -7.782 1.00 0.00 C ATOM 0 H MET A 88 -3.690 -6.119 -2.161 1.00 0.00 H new ATOM 0 HA MET A 88 -3.386 -3.686 -3.732 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.375 -6.036 -4.689 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.062 -6.175 -4.236 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.691 -5.157 -6.126 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.762 -3.732 -5.703 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.250 -3.507 -8.318 1.00 0.00 H new ATOM 0 HE2 MET A 88 -3.996 -3.193 -8.454 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.142 -2.825 -6.937 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.402 -2.486 -2.987 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.604 -1.737 -2.642 1.00 0.00 C ATOM 1372 C PHE A 89 -7.191 -1.068 -3.880 1.00 0.00 C ATOM 1373 O PHE A 89 -6.469 -0.459 -4.668 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.288 -0.684 -1.578 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.871 -1.269 -0.259 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.768 -1.997 0.506 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.582 -1.091 0.216 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.388 -2.537 1.720 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.194 -1.629 1.429 1.00 0.00 C ATOM 1380 CZ PHE A 89 -5.100 -2.351 2.182 1.00 0.00 C ATOM 0 H PHE A 89 -4.592 -1.906 -3.204 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.339 -2.434 -2.240 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.493 -0.035 -1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.167 -0.057 -1.427 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.777 -2.144 0.149 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.872 -0.525 -0.368 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.097 -3.103 2.306 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.185 -1.485 1.787 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.801 -2.770 3.132 1.00 0.00 H new ATOM 1390 N SER A 90 -8.503 -1.190 -4.049 1.00 0.00 N ATOM 1391 CA SER A 90 -9.182 -0.599 -5.195 1.00 0.00 C ATOM 1392 C SER A 90 -10.075 0.560 -4.767 1.00 0.00 C ATOM 1393 O SER A 90 -11.028 0.375 -4.010 1.00 0.00 O ATOM 1394 CB SER A 90 -10.011 -1.659 -5.926 1.00 0.00 C ATOM 1395 OG SER A 90 -10.181 -2.818 -5.128 1.00 0.00 O ATOM 0 H SER A 90 -9.117 -1.692 -3.407 1.00 0.00 H new ATOM 0 HA SER A 90 -8.422 -0.211 -5.873 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.986 -1.247 -6.185 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.520 -1.927 -6.861 1.00 0.00 H new ATOM 0 HG SER A 90 -10.715 -3.477 -5.618 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.762 1.753 -5.256 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.538 2.943 -4.927 1.00 0.00 C ATOM 1403 C PHE A 91 -11.597 3.208 -5.992 1.00 0.00 C ATOM 1404 O PHE A 91 -11.480 2.738 -7.124 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.613 4.153 -4.786 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.837 4.163 -3.499 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.109 3.052 -3.104 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.840 5.281 -2.684 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.399 3.057 -1.919 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.131 5.294 -1.499 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.410 4.181 -1.114 1.00 0.00 C ATOM 0 H PHE A 91 -8.975 1.923 -5.883 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.044 2.773 -3.976 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.915 4.167 -5.623 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.207 5.065 -4.851 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.097 2.172 -3.730 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.404 6.154 -2.978 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.836 2.184 -1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.140 6.174 -0.874 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.856 4.189 -0.187 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.634 3.954 -5.625 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.714 4.268 -6.554 1.00 0.00 C ATOM 1423 C ASN A 92 -13.941 5.774 -6.660 1.00 0.00 C ATOM 1424 O ASN A 92 -15.076 6.231 -6.794 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.007 3.579 -6.113 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.037 2.110 -6.488 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -14.286 1.665 -7.357 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.906 1.349 -5.835 1.00 0.00 N ATOM 0 H ASN A 92 -12.749 4.352 -4.693 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.423 3.899 -7.537 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.118 3.678 -5.033 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.858 4.085 -6.568 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.971 0.353 -6.046 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.509 1.760 -5.122 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.857 6.541 -6.607 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.948 7.994 -6.705 1.00 0.00 C ATOM 1437 C ASN A 93 -11.563 8.630 -6.702 1.00 0.00 C ATOM 1438 O ASN A 93 -10.606 8.059 -6.181 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.785 8.555 -5.552 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.674 9.703 -5.990 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.286 9.657 -7.057 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -14.749 10.740 -5.165 1.00 0.00 N ATOM 0 H ASN A 93 -11.908 6.183 -6.497 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.435 8.238 -7.649 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.402 7.760 -5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.122 8.895 -4.757 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -15.332 11.542 -5.405 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.224 10.735 -4.290 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.465 9.818 -7.289 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.199 10.539 -7.359 1.00 0.00 C ATOM 1451 C ARG A 94 -9.896 11.241 -6.040 1.00 0.00 C ATOM 1452 O ARG A 94 -8.738 11.379 -5.648 1.00 0.00 O ATOM 1453 CB ARG A 94 -10.233 11.565 -8.492 1.00 0.00 C ATOM 1454 CG ARG A 94 -11.510 12.390 -8.531 1.00 0.00 C ATOM 1455 CD ARG A 94 -11.262 13.776 -9.106 1.00 0.00 C ATOM 1456 NE ARG A 94 -11.868 13.937 -10.426 1.00 0.00 N ATOM 1457 CZ ARG A 94 -11.326 13.482 -11.552 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -10.167 12.835 -11.525 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -11.944 13.671 -12.710 1.00 0.00 N ATOM 0 H ARG A 94 -12.250 10.303 -7.724 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.411 9.812 -7.555 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -9.380 12.236 -8.388 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.117 11.046 -9.444 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.259 11.874 -9.132 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.917 12.480 -7.524 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.666 14.528 -8.428 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.189 13.953 -9.176 1.00 0.00 H new ATOM 0 HE ARG A 94 -12.760 14.428 -10.487 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.687 12.685 -10.637 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.756 12.488 -12.392 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.836 14.166 -12.737 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.528 13.322 -13.573 1.00 0.00 H new ATOM 1473 N THR A 95 -10.946 11.690 -5.365 1.00 0.00 N ATOM 1474 CA THR A 95 -10.800 12.385 -4.095 1.00 0.00 C ATOM 1475 C THR A 95 -10.483 11.407 -2.964 1.00 0.00 C ATOM 1476 O THR A 95 -9.737 11.737 -2.041 1.00 0.00 O ATOM 1477 CB THR A 95 -12.068 13.186 -3.794 1.00 0.00 C ATOM 1478 OG1 THR A 95 -11.868 14.559 -4.075 1.00 0.00 O ATOM 1479 CG2 THR A 95 -12.540 13.080 -2.361 1.00 0.00 C ATOM 0 H THR A 95 -11.911 11.584 -5.678 1.00 0.00 H new ATOM 0 HA THR A 95 -9.960 13.076 -4.169 1.00 0.00 H new ATOM 0 HB THR A 95 -12.833 12.749 -4.436 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.689 15.056 -3.879 1.00 0.00 H new ATOM 0 HG21 THR A 95 -13.443 13.676 -2.230 1.00 0.00 H new ATOM 0 HG22 THR A 95 -12.756 12.038 -2.125 1.00 0.00 H new ATOM 0 HG23 THR A 95 -11.762 13.449 -1.693 1.00 0.00 H new ATOM 1487 N VAL A 96 -11.056 10.210 -3.035 1.00 0.00 N ATOM 1488 CA VAL A 96 -10.828 9.200 -2.007 1.00 0.00 C ATOM 1489 C VAL A 96 -9.407 8.650 -2.077 1.00 0.00 C ATOM 1490 O VAL A 96 -8.831 8.268 -1.060 1.00 0.00 O ATOM 1491 CB VAL A 96 -11.841 8.038 -2.113 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -11.621 7.230 -3.386 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.756 7.145 -0.884 1.00 0.00 C ATOM 0 H VAL A 96 -11.678 9.916 -3.788 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.969 9.694 -1.045 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.843 8.465 -2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.348 6.420 -3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.743 7.878 -4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.614 6.814 -3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.476 6.332 -0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.750 6.732 -0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.981 7.731 0.007 1.00 0.00 H new ATOM 1503 N MET A 97 -8.842 8.626 -3.280 1.00 0.00 N ATOM 1504 CA MET A 97 -7.483 8.134 -3.471 1.00 0.00 C ATOM 1505 C MET A 97 -6.476 9.165 -2.990 1.00 0.00 C ATOM 1506 O MET A 97 -5.416 8.825 -2.465 1.00 0.00 O ATOM 1507 CB MET A 97 -7.232 7.804 -4.941 1.00 0.00 C ATOM 1508 CG MET A 97 -7.567 8.943 -5.889 1.00 0.00 C ATOM 1509 SD MET A 97 -7.019 8.625 -7.577 1.00 0.00 S ATOM 1510 CE MET A 97 -5.275 9.012 -7.445 1.00 0.00 C ATOM 0 H MET A 97 -9.303 8.940 -4.134 1.00 0.00 H new ATOM 0 HA MET A 97 -7.363 7.223 -2.885 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.184 7.533 -5.069 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.823 6.930 -5.214 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.644 9.108 -5.886 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.103 9.860 -5.527 1.00 0.00 H new ATOM 0 HE1 MET A 97 -4.899 9.332 -8.417 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.134 9.813 -6.720 1.00 0.00 H new ATOM 0 HE3 MET A 97 -4.730 8.127 -7.118 1.00 0.00 H new ATOM 1520 N ASP A 98 -6.826 10.427 -3.172 1.00 0.00 N ATOM 1521 CA ASP A 98 -5.970 11.530 -2.758 1.00 0.00 C ATOM 1522 C ASP A 98 -5.895 11.616 -1.236 1.00 0.00 C ATOM 1523 O ASP A 98 -4.902 12.084 -0.683 1.00 0.00 O ATOM 1524 CB ASP A 98 -6.489 12.850 -3.331 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.369 13.807 -3.685 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.842 13.713 -4.814 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.018 14.651 -2.834 1.00 0.00 O ATOM 0 H ASP A 98 -7.702 10.716 -3.606 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.968 11.345 -3.144 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.085 12.647 -4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.151 13.322 -2.605 1.00 0.00 H new ATOM 1532 N ASN A 99 -6.952 11.161 -0.566 1.00 0.00 N ATOM 1533 CA ASN A 99 -7.000 11.191 0.892 1.00 0.00 C ATOM 1534 C ASN A 99 -6.129 10.089 1.489 1.00 0.00 C ATOM 1535 O ASN A 99 -5.270 10.350 2.332 1.00 0.00 O ATOM 1536 CB ASN A 99 -8.442 11.036 1.378 1.00 0.00 C ATOM 1537 CG ASN A 99 -9.328 12.183 0.936 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -8.844 13.276 0.634 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -10.633 11.943 0.895 1.00 0.00 N ATOM 0 H ASN A 99 -7.783 10.769 -1.009 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.613 12.154 1.223 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.851 10.099 1.001 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.451 10.972 2.466 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.278 12.678 0.605 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.991 11.023 1.153 1.00 0.00 H new ATOM 1546 N ILE A 100 -6.356 8.857 1.048 1.00 0.00 N ATOM 1547 CA ILE A 100 -5.594 7.713 1.539 1.00 0.00 C ATOM 1548 C ILE A 100 -4.141 7.782 1.078 1.00 0.00 C ATOM 1549 O ILE A 100 -3.219 7.555 1.862 1.00 0.00 O ATOM 1550 CB ILE A 100 -6.213 6.384 1.061 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -7.668 6.279 1.523 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.400 5.199 1.569 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.820 6.083 3.016 1.00 0.00 C ATOM 0 H ILE A 100 -7.063 8.624 0.350 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.627 7.751 2.628 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.194 6.366 -0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.200 7.184 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.145 5.446 1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.853 4.271 1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.380 5.269 1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.385 5.209 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.878 6.017 3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.318 5.163 3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.373 6.927 3.541 1.00 0.00 H new ATOM 1565 N LYS A 101 -3.945 8.088 -0.199 1.00 0.00 N ATOM 1566 CA LYS A 101 -2.606 8.178 -0.772 1.00 0.00 C ATOM 1567 C LYS A 101 -1.737 9.172 -0.005 1.00 0.00 C ATOM 1568 O LYS A 101 -0.553 8.925 0.221 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.687 8.586 -2.244 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.332 8.666 -2.928 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.398 9.500 -4.198 1.00 0.00 C ATOM 1572 CE LYS A 101 -0.922 10.923 -3.956 1.00 0.00 C ATOM 1573 NZ LYS A 101 0.536 11.073 -4.213 1.00 0.00 N ATOM 0 H LYS A 101 -4.698 8.279 -0.860 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.144 7.194 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.312 7.870 -2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.180 9.556 -2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.603 9.100 -2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.985 7.661 -3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.785 9.037 -4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.422 9.516 -4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.476 11.605 -4.601 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.140 11.209 -2.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.820 12.058 -4.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.067 10.441 -3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.741 10.825 -5.202 1.00 0.00 H new ATOM 1587 N MET A 102 -2.325 10.298 0.382 1.00 0.00 N ATOM 1588 CA MET A 102 -1.591 11.326 1.113 1.00 0.00 C ATOM 1589 C MET A 102 -1.537 11.022 2.603 1.00 0.00 C ATOM 1590 O MET A 102 -0.482 11.107 3.230 1.00 0.00 O ATOM 1591 CB MET A 102 -2.220 12.704 0.876 1.00 0.00 C ATOM 1592 CG MET A 102 -3.546 12.906 1.593 1.00 0.00 C ATOM 1593 SD MET A 102 -4.412 14.391 1.047 1.00 0.00 S ATOM 1594 CE MET A 102 -4.456 15.336 2.567 1.00 0.00 C ATOM 0 H MET A 102 -3.304 10.523 0.203 1.00 0.00 H new ATOM 0 HA MET A 102 -0.568 11.332 0.736 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.520 13.473 1.203 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.371 12.845 -0.194 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.182 12.037 1.425 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.368 12.968 2.667 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.962 16.285 2.391 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.994 14.773 3.330 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.438 15.526 2.907 1.00 0.00 H new ATOM 1604 N THR A 103 -2.683 10.674 3.163 1.00 0.00 N ATOM 1605 CA THR A 103 -2.779 10.364 4.586 1.00 0.00 C ATOM 1606 C THR A 103 -1.801 9.263 4.977 1.00 0.00 C ATOM 1607 O THR A 103 -1.086 9.386 5.970 1.00 0.00 O ATOM 1608 CB THR A 103 -4.206 9.954 4.953 1.00 0.00 C ATOM 1609 OG1 THR A 103 -5.110 11.019 4.709 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.361 9.546 6.403 1.00 0.00 C ATOM 0 H THR A 103 -3.564 10.598 2.655 1.00 0.00 H new ATOM 0 HA THR A 103 -2.518 11.266 5.140 1.00 0.00 H new ATOM 0 HB THR A 103 -4.428 9.091 4.325 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.625 10.831 3.897 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.397 9.268 6.594 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.712 8.696 6.613 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.085 10.381 7.047 1.00 0.00 H new ATOM 1618 N LEU A 104 -1.765 8.191 4.197 1.00 0.00 N ATOM 1619 CA LEU A 104 -0.857 7.092 4.485 1.00 0.00 C ATOM 1620 C LEU A 104 0.579 7.603 4.513 1.00 0.00 C ATOM 1621 O LEU A 104 1.298 7.408 5.492 1.00 0.00 O ATOM 1622 CB LEU A 104 -1.013 5.976 3.450 1.00 0.00 C ATOM 1623 CG LEU A 104 -1.922 4.823 3.884 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -3.272 5.352 4.344 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -2.099 3.824 2.750 1.00 0.00 C ATOM 0 H LEU A 104 -2.347 8.060 3.370 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.103 6.679 5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.408 6.406 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.027 5.575 3.217 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.449 4.311 4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.905 4.518 4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.130 6.027 5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.750 5.890 3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.748 3.012 3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.548 4.324 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.127 3.420 2.466 1.00 0.00 H new ATOM 1637 N GLN A 105 0.979 8.281 3.437 1.00 0.00 N ATOM 1638 CA GLN A 105 2.321 8.844 3.334 1.00 0.00 C ATOM 1639 C GLN A 105 2.667 9.653 4.577 1.00 0.00 C ATOM 1640 O GLN A 105 3.802 9.625 5.051 1.00 0.00 O ATOM 1641 CB GLN A 105 2.428 9.721 2.085 1.00 0.00 C ATOM 1642 CG GLN A 105 3.518 9.276 1.124 1.00 0.00 C ATOM 1643 CD GLN A 105 3.412 9.951 -0.230 1.00 0.00 C ATOM 1644 OE1 GLN A 105 4.315 10.676 -0.646 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.306 9.714 -0.925 1.00 0.00 N ATOM 0 H GLN A 105 0.389 8.453 2.623 1.00 0.00 H new ATOM 0 HA GLN A 105 3.033 8.023 3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.471 9.716 1.564 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.620 10.750 2.389 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.493 9.495 1.560 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.463 8.195 0.993 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.583 9.106 -0.541 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.179 10.140 -1.843 1.00 0.00 H new ATOM 1654 N GLN A 106 1.679 10.363 5.109 1.00 0.00 N ATOM 1655 CA GLN A 106 1.886 11.165 6.309 1.00 0.00 C ATOM 1656 C GLN A 106 2.364 10.279 7.451 1.00 0.00 C ATOM 1657 O GLN A 106 3.133 10.709 8.311 1.00 0.00 O ATOM 1658 CB GLN A 106 0.599 11.895 6.697 1.00 0.00 C ATOM 1659 CG GLN A 106 0.451 13.280 6.073 1.00 0.00 C ATOM 1660 CD GLN A 106 1.184 13.429 4.750 1.00 0.00 C ATOM 1661 OE1 GLN A 106 2.467 13.769 4.817 1.00 0.00 O flip ATOM 1662 NE2 GLN A 106 0.603 13.248 3.681 1.00 0.00 N flip ATOM 0 H GLN A 106 0.732 10.400 4.731 1.00 0.00 H new ATOM 0 HA GLN A 106 2.651 11.913 6.102 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -0.254 11.284 6.403 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.563 11.992 7.782 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -0.608 13.489 5.919 1.00 0.00 H new ATOM 0 HG3 GLN A 106 0.825 14.027 6.773 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -0.383 12.988 3.674 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.107 13.358 2.801 1.00 0.00 H new ATOM 1671 N ILE A 107 1.924 9.029 7.428 1.00 0.00 N ATOM 1672 CA ILE A 107 2.321 8.055 8.433 1.00 0.00 C ATOM 1673 C ILE A 107 3.653 7.432 8.031 1.00 0.00 C ATOM 1674 O ILE A 107 4.514 7.166 8.869 1.00 0.00 O ATOM 1675 CB ILE A 107 1.259 6.946 8.595 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -0.045 7.534 9.143 1.00 0.00 C ATOM 1677 CG2 ILE A 107 1.772 5.837 9.503 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.244 7.265 8.261 1.00 0.00 C ATOM 0 H ILE A 107 1.288 8.664 6.719 1.00 0.00 H new ATOM 0 HA ILE A 107 2.419 8.570 9.389 1.00 0.00 H new ATOM 0 HB ILE A 107 1.059 6.515 7.614 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.233 7.121 10.134 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.073 8.611 9.264 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.008 5.066 9.603 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.673 5.401 9.071 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.003 6.249 10.485 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.133 7.709 8.709 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.077 7.702 7.277 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.388 6.189 8.161 1.00 0.00 H new ATOM 1690 N ILE A 108 3.809 7.222 6.730 1.00 0.00 N ATOM 1691 CA ILE A 108 5.028 6.652 6.171 1.00 0.00 C ATOM 1692 C ILE A 108 6.226 7.521 6.519 1.00 0.00 C ATOM 1693 O ILE A 108 7.236 7.042 7.034 1.00 0.00 O ATOM 1694 CB ILE A 108 4.927 6.548 4.638 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.627 5.854 4.244 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.127 5.820 4.062 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.544 5.486 2.777 1.00 0.00 C ATOM 0 H ILE A 108 3.096 7.441 6.034 1.00 0.00 H new ATOM 0 HA ILE A 108 5.155 5.657 6.597 1.00 0.00 H new ATOM 0 HB ILE A 108 4.922 7.556 4.222 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.515 4.949 4.842 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.790 6.506 4.492 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.030 5.760 2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.038 6.362 4.316 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.176 4.814 4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.590 4.997 2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.623 6.388 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.359 4.807 2.525 1.00 0.00 H new ATOM 1709 N SER A 109 6.095 8.806 6.223 1.00 0.00 N ATOM 1710 CA SER A 109 7.155 9.774 6.490 1.00 0.00 C ATOM 1711 C SER A 109 7.597 9.734 7.951 1.00 0.00 C ATOM 1712 O SER A 109 8.715 10.131 8.280 1.00 0.00 O ATOM 1713 CB SER A 109 6.688 11.185 6.127 1.00 0.00 C ATOM 1714 OG SER A 109 6.995 11.493 4.778 1.00 0.00 O ATOM 0 H SER A 109 5.260 9.207 5.795 1.00 0.00 H new ATOM 0 HA SER A 109 8.011 9.505 5.871 1.00 0.00 H new ATOM 0 HB2 SER A 109 5.613 11.268 6.287 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.165 11.910 6.786 1.00 0.00 H new ATOM 0 HG SER A 109 6.685 12.399 4.571 1.00 0.00 H new ATOM 1720 N ARG A 110 6.717 9.253 8.822 1.00 0.00 N ATOM 1721 CA ARG A 110 7.025 9.164 10.248 1.00 0.00 C ATOM 1722 C ARG A 110 8.292 8.349 10.482 1.00 0.00 C ATOM 1723 O ARG A 110 9.064 8.631 11.400 1.00 0.00 O ATOM 1724 CB ARG A 110 5.858 8.531 11.010 1.00 0.00 C ATOM 1725 CG ARG A 110 4.534 9.251 10.814 1.00 0.00 C ATOM 1726 CD ARG A 110 3.430 8.627 11.653 1.00 0.00 C ATOM 1727 NE ARG A 110 2.245 9.479 11.720 1.00 0.00 N ATOM 1728 CZ ARG A 110 2.141 10.543 12.514 1.00 0.00 C ATOM 1729 NH1 ARG A 110 3.146 10.888 13.308 1.00 0.00 N ATOM 1730 NH2 ARG A 110 1.028 11.264 12.512 1.00 0.00 N ATOM 0 H ARG A 110 5.787 8.919 8.569 1.00 0.00 H new ATOM 0 HA ARG A 110 7.187 10.176 10.618 1.00 0.00 H new ATOM 0 HB2 ARG A 110 5.748 7.495 10.691 1.00 0.00 H new ATOM 0 HB3 ARG A 110 6.097 8.514 12.073 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.647 10.301 11.083 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.254 9.219 9.761 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.157 7.659 11.232 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.801 8.442 12.661 1.00 0.00 H new ATOM 0 HE ARG A 110 1.451 9.245 11.124 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.005 10.337 13.313 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.060 11.704 13.914 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.253 11.003 11.903 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.947 12.079 13.120 1.00 0.00 H new ATOM 1744 N TYR A 111 8.499 7.336 9.648 1.00 0.00 N ATOM 1745 CA TYR A 111 9.671 6.475 9.763 1.00 0.00 C ATOM 1746 C TYR A 111 10.785 6.945 8.833 1.00 0.00 C ATOM 1747 O TYR A 111 11.968 6.769 9.128 1.00 0.00 O ATOM 1748 CB TYR A 111 9.304 5.022 9.442 1.00 0.00 C ATOM 1749 CG TYR A 111 7.834 4.706 9.626 1.00 0.00 C ATOM 1750 CD1 TYR A 111 7.287 4.570 10.896 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.997 4.547 8.530 1.00 0.00 C ATOM 1752 CE1 TYR A 111 5.946 4.284 11.067 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.654 4.262 8.694 1.00 0.00 C ATOM 1754 CZ TYR A 111 5.135 4.132 9.963 1.00 0.00 C ATOM 1755 OH TYR A 111 3.801 3.848 10.129 1.00 0.00 O ATOM 0 H TYR A 111 7.870 7.090 8.884 1.00 0.00 H new ATOM 0 HA TYR A 111 10.029 6.532 10.791 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.586 4.805 8.412 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.891 4.360 10.079 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.920 4.690 11.763 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.401 4.647 7.534 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.536 4.180 12.061 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.015 4.142 7.831 1.00 0.00 H new ATOM 0 HH TYR A 111 3.636 3.584 11.058 1.00 0.00 H new ATOM 1765 N LYS A 112 10.402 7.543 7.709 1.00 0.00 N ATOM 1766 CA LYS A 112 11.369 8.038 6.737 1.00 0.00 C ATOM 1767 C LYS A 112 12.303 9.065 7.370 1.00 0.00 C ATOM 1768 O LYS A 112 13.515 9.029 7.158 1.00 0.00 O ATOM 1769 CB LYS A 112 10.647 8.658 5.539 1.00 0.00 C ATOM 1770 CG LYS A 112 11.587 9.171 4.461 1.00 0.00 C ATOM 1771 CD LYS A 112 10.923 9.167 3.094 1.00 0.00 C ATOM 1772 CE LYS A 112 9.732 10.110 3.051 1.00 0.00 C ATOM 1773 NZ LYS A 112 10.087 11.427 2.455 1.00 0.00 N ATOM 0 H LYS A 112 9.428 7.696 7.449 1.00 0.00 H new ATOM 0 HA LYS A 112 11.967 7.193 6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 112 9.979 7.915 5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.023 9.481 5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.907 10.183 4.708 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.483 8.551 4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.648 9.460 2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.597 8.156 2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.929 9.654 2.472 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.351 10.260 4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.247 12.041 2.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.835 11.874 3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.426 11.288 1.482 1.00 0.00 H new ATOM 1787 N ASP A 113 11.730 9.978 8.148 1.00 0.00 N ATOM 1788 CA ASP A 113 12.512 11.015 8.812 1.00 0.00 C ATOM 1789 C ASP A 113 13.553 10.401 9.741 1.00 0.00 C ATOM 1790 O ASP A 113 14.628 10.966 9.945 1.00 0.00 O ATOM 1791 CB ASP A 113 11.592 11.948 9.602 1.00 0.00 C ATOM 1792 CG ASP A 113 11.119 13.129 8.777 1.00 0.00 C ATOM 1793 OD1 ASP A 113 10.077 13.001 8.102 1.00 0.00 O ATOM 1794 OD2 ASP A 113 11.791 14.181 8.807 1.00 0.00 O ATOM 0 H ASP A 113 10.728 10.021 8.334 1.00 0.00 H new ATOM 0 HA ASP A 113 13.031 11.591 8.046 1.00 0.00 H new ATOM 0 HB2 ASP A 113 10.728 11.387 9.957 1.00 0.00 H new ATOM 0 HB3 ASP A 113 12.119 12.312 10.484 1.00 0.00 H new ATOM 1799 N ALA A 114 13.227 9.241 10.304 1.00 0.00 N ATOM 1800 CA ALA A 114 14.135 8.550 11.211 1.00 0.00 C ATOM 1801 C ALA A 114 15.064 7.611 10.450 1.00 0.00 C ATOM 1802 O ALA A 114 16.223 7.431 10.824 1.00 0.00 O ATOM 1803 CB ALA A 114 13.347 7.780 12.260 1.00 0.00 C ATOM 0 H ALA A 114 12.341 8.761 10.147 1.00 0.00 H new ATOM 0 HA ALA A 114 14.749 9.299 11.710 1.00 0.00 H new ATOM 0 HB1 ALA A 114 14.037 7.269 12.931 1.00 0.00 H new ATOM 0 HB2 ALA A 114 12.730 8.473 12.833 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.708 7.046 11.769 1.00 0.00 H new ATOM 1809 N ASP A 115 14.549 7.017 9.379 1.00 0.00 N ATOM 1810 CA ASP A 115 15.332 6.097 8.564 1.00 0.00 C ATOM 1811 C ASP A 115 16.097 6.846 7.479 1.00 0.00 C ATOM 1812 O ASP A 115 16.398 6.230 6.434 1.00 0.00 O ATOM 1813 CB ASP A 115 14.422 5.044 7.928 1.00 0.00 C ATOM 1814 CG ASP A 115 15.087 3.684 7.836 1.00 0.00 C ATOM 1815 OD1 ASP A 115 15.653 3.230 8.853 1.00 0.00 O ATOM 1816 OD2 ASP A 115 15.042 3.074 6.747 1.00 0.00 O ATOM 0 H ASP A 115 13.592 7.157 9.055 1.00 0.00 H new ATOM 0 HA ASP A 115 16.053 5.600 9.214 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.506 4.959 8.513 1.00 0.00 H new ATOM 0 HB3 ASP A 115 14.133 5.373 6.930 1.00 0.00 H new TER 1821 ASP A 115 ATOM 1822 N TYR B 90 -3.588 1.745 -20.529 1.00 0.00 N ATOM 1823 CA TYR B 90 -2.306 1.059 -20.226 1.00 0.00 C ATOM 1824 C TYR B 90 -2.423 0.195 -18.974 1.00 0.00 C ATOM 1825 O TYR B 90 -2.996 0.617 -17.970 1.00 0.00 O ATOM 1826 CB TYR B 90 -1.219 2.119 -20.036 1.00 0.00 C ATOM 1827 CG TYR B 90 -0.455 2.436 -21.303 1.00 0.00 C ATOM 1828 CD1 TYR B 90 0.428 1.517 -21.853 1.00 0.00 C ATOM 1829 CD2 TYR B 90 -0.616 3.657 -21.946 1.00 0.00 C ATOM 1830 CE1 TYR B 90 1.129 1.803 -23.009 1.00 0.00 C ATOM 1831 CE2 TYR B 90 0.081 3.951 -23.103 1.00 0.00 C ATOM 1832 CZ TYR B 90 0.951 3.021 -23.630 1.00 0.00 C ATOM 1833 OH TYR B 90 1.646 3.311 -24.782 1.00 0.00 O ATOM 0 HA TYR B 90 -2.049 0.400 -21.056 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -1.677 3.034 -19.659 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -0.518 1.776 -19.275 1.00 0.00 H new ATOM 0 HD1 TYR B 90 0.570 0.562 -21.369 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -1.297 4.388 -21.535 1.00 0.00 H new ATOM 0 HE1 TYR B 90 1.812 1.077 -23.424 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -0.055 4.905 -23.591 1.00 0.00 H new ATOM 0 HH TYR B 90 1.405 4.209 -25.092 1.00 0.00 H new ATOM 1843 N ASP B 91 -1.876 -1.013 -19.042 1.00 0.00 N ATOM 1844 CA ASP B 91 -1.920 -1.936 -17.914 1.00 0.00 C ATOM 1845 C ASP B 91 -0.709 -1.744 -17.007 1.00 0.00 C ATOM 1846 O ASP B 91 -0.791 -1.940 -15.794 1.00 0.00 O ATOM 1847 CB ASP B 91 -1.973 -3.382 -18.412 1.00 0.00 C ATOM 1848 CG ASP B 91 -3.389 -3.842 -18.700 1.00 0.00 C ATOM 1849 OD1 ASP B 91 -4.222 -2.994 -19.081 1.00 0.00 O ATOM 1850 OD2 ASP B 91 -3.663 -5.050 -18.544 1.00 0.00 O ATOM 0 H ASP B 91 -1.397 -1.376 -19.866 1.00 0.00 H new ATOM 0 HA ASP B 91 -2.821 -1.724 -17.339 1.00 0.00 H new ATOM 0 HB2 ASP B 91 -1.373 -3.474 -19.317 1.00 0.00 H new ATOM 0 HB3 ASP B 91 -1.526 -4.038 -17.665 1.00 0.00 H new ATOM 1855 N SER B 92 0.416 -1.358 -17.602 1.00 0.00 N ATOM 1856 CA SER B 92 1.644 -1.140 -16.848 1.00 0.00 C ATOM 1857 C SER B 92 1.706 0.288 -16.311 1.00 0.00 C ATOM 1858 O SER B 92 2.277 0.538 -15.250 1.00 0.00 O ATOM 1859 CB SER B 92 2.864 -1.418 -17.728 1.00 0.00 C ATOM 1860 OG SER B 92 3.162 -2.804 -17.763 1.00 0.00 O ATOM 0 H SER B 92 0.501 -1.190 -18.604 1.00 0.00 H new ATOM 0 HA SER B 92 1.649 -1.829 -16.003 1.00 0.00 H new ATOM 0 HB2 SER B 92 2.677 -1.057 -18.739 1.00 0.00 H new ATOM 0 HB3 SER B 92 3.724 -0.867 -17.347 1.00 0.00 H new ATOM 0 HG SER B 92 3.944 -2.956 -18.333 1.00 0.00 H new ATOM 1866 N GLU B 93 1.113 1.219 -17.052 1.00 0.00 N ATOM 1867 CA GLU B 93 1.101 2.621 -16.650 1.00 0.00 C ATOM 1868 C GLU B 93 -0.217 2.982 -15.972 1.00 0.00 C ATOM 1869 O GLU B 93 -0.663 4.128 -16.032 1.00 0.00 O ATOM 1870 CB GLU B 93 1.327 3.523 -17.863 1.00 0.00 C ATOM 1871 CG GLU B 93 1.933 4.872 -17.514 1.00 0.00 C ATOM 1872 CD GLU B 93 0.889 5.965 -17.389 1.00 0.00 C ATOM 1873 OE1 GLU B 93 0.265 6.310 -18.413 1.00 0.00 O ATOM 1874 OE2 GLU B 93 0.696 6.475 -16.265 1.00 0.00 O ATOM 0 H GLU B 93 0.635 1.028 -17.933 1.00 0.00 H new ATOM 0 HA GLU B 93 1.910 2.775 -15.936 1.00 0.00 H new ATOM 0 HB2 GLU B 93 1.982 3.012 -18.568 1.00 0.00 H new ATOM 0 HB3 GLU B 93 0.375 3.682 -18.369 1.00 0.00 H new ATOM 0 HG2 GLU B 93 2.480 4.788 -16.575 1.00 0.00 H new ATOM 0 HG3 GLU B 93 2.656 5.151 -18.281 1.00 0.00 H new ATOM 1881 N GLU B 94 -0.838 1.998 -15.328 1.00 0.00 N ATOM 1882 CA GLU B 94 -2.105 2.215 -14.640 1.00 0.00 C ATOM 1883 C GLU B 94 -1.872 2.672 -13.203 1.00 0.00 C ATOM 1884 O GLU B 94 -2.647 3.459 -12.658 1.00 0.00 O ATOM 1885 CB GLU B 94 -2.941 0.934 -14.651 1.00 0.00 C ATOM 1886 CG GLU B 94 -2.302 -0.215 -13.889 1.00 0.00 C ATOM 1887 CD GLU B 94 -3.076 -1.512 -14.033 1.00 0.00 C ATOM 1888 OE1 GLU B 94 -3.354 -1.913 -15.183 1.00 0.00 O ATOM 1889 OE2 GLU B 94 -3.405 -2.125 -12.997 1.00 0.00 O ATOM 0 H GLU B 94 -0.484 1.043 -15.269 1.00 0.00 H new ATOM 0 HA GLU B 94 -2.648 2.999 -15.168 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -3.920 1.145 -14.220 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -3.107 0.627 -15.684 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -1.283 -0.362 -14.248 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -2.233 0.048 -12.833 1.00 0.00 H new ATOM 1896 N PHE B 95 -0.802 2.173 -12.594 1.00 0.00 N ATOM 1897 CA PHE B 95 -0.468 2.529 -11.220 1.00 0.00 C ATOM 1898 C PHE B 95 0.662 3.555 -11.184 1.00 0.00 C ATOM 1899 O PHE B 95 1.636 3.447 -11.930 1.00 0.00 O ATOM 1900 CB PHE B 95 -0.071 1.279 -10.430 1.00 0.00 C ATOM 1901 CG PHE B 95 -0.991 0.980 -9.283 1.00 0.00 C ATOM 1902 CD1 PHE B 95 -0.886 1.680 -8.092 1.00 0.00 C ATOM 1903 CD2 PHE B 95 -1.963 -0.001 -9.394 1.00 0.00 C ATOM 1904 CE1 PHE B 95 -1.732 1.407 -7.033 1.00 0.00 C ATOM 1905 CE2 PHE B 95 -2.812 -0.279 -8.340 1.00 0.00 C ATOM 1906 CZ PHE B 95 -2.695 0.426 -7.158 1.00 0.00 C ATOM 0 H PHE B 95 -0.151 1.520 -13.030 1.00 0.00 H new ATOM 0 HA PHE B 95 -1.350 2.974 -10.759 1.00 0.00 H new ATOM 0 HB2 PHE B 95 -0.053 0.423 -11.104 1.00 0.00 H new ATOM 0 HB3 PHE B 95 0.942 1.406 -10.049 1.00 0.00 H new ATOM 0 HD1 PHE B 95 -0.134 2.448 -7.990 1.00 0.00 H new ATOM 0 HD2 PHE B 95 -2.058 -0.555 -10.316 1.00 0.00 H new ATOM 0 HE1 PHE B 95 -1.640 1.960 -6.110 1.00 0.00 H new ATOM 0 HE2 PHE B 95 -3.566 -1.046 -8.440 1.00 0.00 H new ATOM 0 HZ PHE B 95 -3.357 0.210 -6.332 1.00 0.00 H new ATOM 1916 N GLU B 96 0.525 4.549 -10.313 1.00 0.00 N ATOM 1917 CA GLU B 96 1.534 5.594 -10.179 1.00 0.00 C ATOM 1918 C GLU B 96 2.527 5.255 -9.073 1.00 0.00 C ATOM 1919 O GLU B 96 2.291 4.353 -8.267 1.00 0.00 O ATOM 1920 CB GLU B 96 0.867 6.941 -9.891 1.00 0.00 C ATOM 1921 CG GLU B 96 1.507 8.106 -10.628 1.00 0.00 C ATOM 1922 CD GLU B 96 0.928 9.446 -10.214 1.00 0.00 C ATOM 1923 OE1 GLU B 96 0.476 9.564 -9.055 1.00 0.00 O ATOM 1924 OE2 GLU B 96 0.928 10.375 -11.048 1.00 0.00 O ATOM 0 H GLU B 96 -0.275 4.653 -9.689 1.00 0.00 H new ATOM 0 HA GLU B 96 2.079 5.661 -11.120 1.00 0.00 H new ATOM 0 HB2 GLU B 96 -0.186 6.882 -10.166 1.00 0.00 H new ATOM 0 HB3 GLU B 96 0.906 7.135 -8.819 1.00 0.00 H new ATOM 0 HG2 GLU B 96 2.581 8.104 -10.440 1.00 0.00 H new ATOM 0 HG3 GLU B 96 1.371 7.971 -11.701 1.00 0.00 H new ATOM 1931 N ASP B 97 3.638 5.982 -9.038 1.00 0.00 N ATOM 1932 CA ASP B 97 4.669 5.759 -8.030 1.00 0.00 C ATOM 1933 C ASP B 97 4.501 6.716 -6.855 1.00 0.00 C ATOM 1934 O ASP B 97 3.821 7.737 -6.964 1.00 0.00 O ATOM 1935 CB ASP B 97 6.059 5.928 -8.645 1.00 0.00 C ATOM 1936 CG ASP B 97 6.606 4.628 -9.202 1.00 0.00 C ATOM 1937 OD1 ASP B 97 6.395 3.575 -8.567 1.00 0.00 O ATOM 1938 OD2 ASP B 97 7.246 4.666 -10.275 1.00 0.00 O ATOM 0 H ASP B 97 3.848 6.732 -9.697 1.00 0.00 H new ATOM 0 HA ASP B 97 4.564 4.739 -7.661 1.00 0.00 H new ATOM 0 HB2 ASP B 97 6.013 6.671 -9.441 1.00 0.00 H new ATOM 0 HB3 ASP B 97 6.744 6.313 -7.889 1.00 0.00 H new ATOM 1943 N VAL B 98 5.125 6.379 -5.731 1.00 0.00 N ATOM 1944 CA VAL B 98 5.048 7.207 -4.533 1.00 0.00 C ATOM 1945 C VAL B 98 6.410 7.313 -3.856 1.00 0.00 C ATOM 1946 O VAL B 98 7.313 6.523 -4.131 1.00 0.00 O ATOM 1947 CB VAL B 98 4.026 6.645 -3.522 1.00 0.00 C ATOM 1948 CG1 VAL B 98 3.686 7.686 -2.467 1.00 0.00 C ATOM 1949 CG2 VAL B 98 2.768 6.172 -4.236 1.00 0.00 C ATOM 0 H VAL B 98 5.691 5.537 -5.625 1.00 0.00 H new ATOM 0 HA VAL B 98 4.722 8.197 -4.852 1.00 0.00 H new ATOM 0 HB VAL B 98 4.477 5.788 -3.022 1.00 0.00 H new ATOM 0 HG11 VAL B 98 2.964 7.270 -1.764 1.00 0.00 H new ATOM 0 HG12 VAL B 98 4.592 7.970 -1.931 1.00 0.00 H new ATOM 0 HG13 VAL B 98 3.258 8.565 -2.948 1.00 0.00 H new ATOM 0 HG21 VAL B 98 2.061 5.780 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL B 98 2.314 7.009 -4.767 1.00 0.00 H new ATOM 0 HG23 VAL B 98 3.027 5.388 -4.948 1.00 0.00 H new ATOM 1959 N THR B 99 6.554 8.294 -2.968 1.00 0.00 N ATOM 1960 CA THR B 99 7.809 8.506 -2.250 1.00 0.00 C ATOM 1961 C THR B 99 8.346 7.196 -1.679 1.00 0.00 C ATOM 1962 O THR B 99 7.634 6.471 -0.985 1.00 0.00 O ATOM 1963 CB THR B 99 7.609 9.520 -1.124 1.00 0.00 C ATOM 1964 OG1 THR B 99 8.840 9.811 -0.487 1.00 0.00 O ATOM 1965 CG2 THR B 99 6.643 9.048 -0.059 1.00 0.00 C ATOM 0 H THR B 99 5.816 8.956 -2.728 1.00 0.00 H new ATOM 0 HA THR B 99 8.539 8.895 -2.959 1.00 0.00 H new ATOM 0 HB THR B 99 7.193 10.406 -1.604 1.00 0.00 H new ATOM 0 HG1 THR B 99 8.692 10.463 0.229 1.00 0.00 H new ATOM 0 HG21 THR B 99 6.546 9.814 0.710 1.00 0.00 H new ATOM 0 HG22 THR B 99 5.668 8.861 -0.509 1.00 0.00 H new ATOM 0 HG23 THR B 99 7.018 8.128 0.390 1.00 0.00 H new ATOM 1973 N ASP B 100 9.608 6.900 -1.976 1.00 0.00 N ATOM 1974 CA ASP B 100 10.242 5.679 -1.492 1.00 0.00 C ATOM 1975 C ASP B 100 11.651 5.962 -0.985 1.00 0.00 C ATOM 1976 O ASP B 100 11.991 5.631 0.152 1.00 0.00 O ATOM 1977 CB ASP B 100 10.288 4.628 -2.603 1.00 0.00 C ATOM 1978 CG ASP B 100 8.952 4.466 -3.302 1.00 0.00 C ATOM 1979 OD1 ASP B 100 7.910 4.624 -2.634 1.00 0.00 O ATOM 1980 OD2 ASP B 100 8.949 4.182 -4.519 1.00 0.00 O ATOM 0 H ASP B 100 10.211 7.489 -2.550 1.00 0.00 H new ATOM 0 HA ASP B 100 9.648 5.295 -0.663 1.00 0.00 H new ATOM 0 HB2 ASP B 100 11.046 4.909 -3.334 1.00 0.00 H new ATOM 0 HB3 ASP B 100 10.593 3.670 -2.181 1.00 0.00 H new ATOM 1985 N GLY B 101 12.468 6.574 -1.835 1.00 0.00 N ATOM 1986 CA GLY B 101 13.832 6.891 -1.455 1.00 0.00 C ATOM 1987 C GLY B 101 14.412 8.032 -2.269 1.00 0.00 C ATOM 1988 O GLY B 101 14.712 7.868 -3.452 1.00 0.00 O ATOM 0 H GLY B 101 12.210 6.856 -2.781 1.00 0.00 H new ATOM 0 HA2 GLY B 101 13.859 7.153 -0.397 1.00 0.00 H new ATOM 0 HA3 GLY B 101 14.456 6.006 -1.580 1.00 0.00 H new ATOM 1992 N ASN B 102 14.569 9.188 -1.636 1.00 0.00 N ATOM 1993 CA ASN B 102 15.117 10.361 -2.310 1.00 0.00 C ATOM 1994 C ASN B 102 16.529 10.088 -2.816 1.00 0.00 C ATOM 1995 O ASN B 102 17.294 9.356 -2.188 1.00 0.00 O ATOM 1996 CB ASN B 102 15.126 11.561 -1.361 1.00 0.00 C ATOM 1997 CG ASN B 102 15.201 12.882 -2.102 1.00 0.00 C ATOM 1998 OD1 ASN B 102 14.733 13.000 -3.234 1.00 0.00 O ATOM 1999 ND2 ASN B 102 15.793 13.886 -1.465 1.00 0.00 N ATOM 0 H ASN B 102 14.325 9.339 -0.657 1.00 0.00 H new ATOM 0 HA ASN B 102 14.482 10.587 -3.166 1.00 0.00 H new ATOM 0 HB2 ASN B 102 14.226 11.542 -0.747 1.00 0.00 H new ATOM 0 HB3 ASN B 102 15.976 11.479 -0.683 1.00 0.00 H new ATOM 0 HD21 ASN B 102 15.873 14.798 -1.914 1.00 0.00 H new ATOM 0 HD22 ASN B 102 16.167 13.745 -0.527 1.00 0.00 H new ATOM 2006 N GLU B 103 16.867 10.679 -3.957 1.00 0.00 N ATOM 2007 CA GLU B 103 18.188 10.500 -4.548 1.00 0.00 C ATOM 2008 C GLU B 103 18.404 11.474 -5.702 1.00 0.00 C ATOM 2009 O GLU B 103 17.454 12.069 -6.212 1.00 0.00 O ATOM 2010 CB GLU B 103 18.358 9.063 -5.041 1.00 0.00 C ATOM 2011 CG GLU B 103 19.791 8.562 -4.974 1.00 0.00 C ATOM 2012 CD GLU B 103 20.523 8.707 -6.294 1.00 0.00 C ATOM 2013 OE1 GLU B 103 19.867 8.596 -7.352 1.00 0.00 O ATOM 2014 OE2 GLU B 103 21.750 8.932 -6.272 1.00 0.00 O ATOM 0 H GLU B 103 16.245 11.286 -4.491 1.00 0.00 H new ATOM 0 HA GLU B 103 18.933 10.704 -3.779 1.00 0.00 H new ATOM 0 HB2 GLU B 103 17.724 8.406 -4.445 1.00 0.00 H new ATOM 0 HB3 GLU B 103 18.007 8.997 -6.071 1.00 0.00 H new ATOM 0 HG2 GLU B 103 20.329 9.113 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU B 103 19.792 7.514 -4.676 1.00 0.00 H new ATOM 2021 N VAL B 104 19.659 11.632 -6.109 1.00 0.00 N ATOM 2022 CA VAL B 104 20.000 12.533 -7.203 1.00 0.00 C ATOM 2023 C VAL B 104 20.917 11.849 -8.213 1.00 0.00 C ATOM 2024 O VAL B 104 21.775 11.049 -7.785 1.00 0.00 O ATOM 2025 CB VAL B 104 20.684 13.814 -6.683 1.00 0.00 C ATOM 2026 CG1 VAL B 104 21.994 13.479 -5.986 1.00 0.00 C ATOM 2027 CG2 VAL B 104 20.911 14.800 -7.819 1.00 0.00 C ATOM 0 H VAL B 104 20.457 11.148 -5.697 1.00 0.00 H new ATOM 0 HA VAL B 104 19.066 12.805 -7.694 1.00 0.00 H new ATOM 0 HB VAL B 104 20.023 14.283 -5.954 1.00 0.00 H new ATOM 0 HG11 VAL B 104 22.460 14.397 -5.627 1.00 0.00 H new ATOM 0 HG12 VAL B 104 21.798 12.817 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL B 104 22.664 12.983 -6.689 1.00 0.00 H new ATOM 0 HG21 VAL B 104 21.394 15.697 -7.431 1.00 0.00 H new ATOM 0 HG22 VAL B 104 21.548 14.343 -8.576 1.00 0.00 H new ATOM 0 HG23 VAL B 104 19.953 15.068 -8.265 1.00 0.00 H new TER 2037 VAL B 104