USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 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 NoAdj-H: A 43 HIS HE2 : A 43 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 75 SER OG : rot 89:sc= -0.27 USER MOD Set 1.2: A 105 HEM CMB :methyl -30:sc= -6.71! (180deg=-8.47!) USER MOD Set 2.1: A 53 GLN : amide:sc= -17! C(o=-35!,f=-35!) USER MOD Set 2.2: A 61 ASN :FLIP amide:sc= -1.97 F(o=-38!,f=-35) USER MOD Set 2.3: A 105 HEM CMC :methyl 150:sc= -15.6! (180deg=-9.36!) USER MOD Set 3.1: A 31 TYR OH : rot 30:sc= 0.155 USER MOD Set 3.2: A 32 LYS NZ :NH3+ -125:sc= -0.0207 (180deg=0) USER MOD Set 4.1: A 25 THR OG1 : rot -55:sc= 0.93 USER MOD Set 4.2: A 37 THR OG1 : rot 180:sc= 0.763 USER MOD Set 5.1: A 19 HIS : no HE2:sc= -5.59! C(o=-9.4!,f=-11!) USER MOD Set 5.2: A 24 SER OG : rot 161:sc= -3.77! USER MOD Single : A 1 ALA N :NH3+ 140:sc= 0.0562 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0115 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -147:sc= -0.0979 (180deg=-0.658) USER MOD Single : A 10 TYR OH : rot 150:sc= -0.129 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -160:sc= -1.69 USER MOD Single : A 17 GLN : amide:sc=-0.00145 X(o=-0.0015,f=-0.035) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -4.33! C(o=-5.3!,f=-4.3!) USER MOD Single : A 21 ASN : amide:sc= -0.0179 X(o=-0.018,f=-0.057) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HE2:sc= -13.1! C(o=-13!,f=-21!) USER MOD Single : A 34 TYR OH : rot 18:sc= -0.216 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 151:sc= 0.468 USER MOD Single : A 68 SER OG : rot -104:sc= 0.434 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -9.98! C(o=-10!,f=-12!) USER MOD Single : A 89 SER OG : rot -38:sc= 0.118 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -6.14! (180deg=-6.14!) USER MOD Single : A 105 HEM CMD :methyl -30:sc=-0.00493 (180deg=-0.256) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 31.589 6.079 -33.957 1.00 0.00 N ATOM 2 CA ALA A 1 30.670 5.877 -32.849 1.00 0.00 C ATOM 3 C ALA A 1 29.254 5.689 -33.396 1.00 0.00 C ATOM 4 O ALA A 1 28.884 6.303 -34.397 1.00 0.00 O ATOM 5 CB ALA A 1 30.770 7.058 -31.881 1.00 0.00 C ATOM 0 H1 ALA A 1 32.283 6.810 -33.703 1.00 0.00 H new ATOM 0 H2 ALA A 1 32.084 5.188 -34.164 1.00 0.00 H new ATOM 0 H3 ALA A 1 31.058 6.383 -34.798 1.00 0.00 H new ATOM 0 HA ALA A 1 30.931 4.977 -32.292 1.00 0.00 H new ATOM 0 HB1 ALA A 1 30.081 6.907 -31.050 1.00 0.00 H new ATOM 0 HB2 ALA A 1 31.788 7.130 -31.499 1.00 0.00 H new ATOM 0 HB3 ALA A 1 30.512 7.979 -32.403 1.00 0.00 H new ATOM 11 N GLU A 2 28.500 4.838 -32.716 1.00 0.00 N ATOM 12 CA GLU A 2 27.132 4.562 -33.121 1.00 0.00 C ATOM 13 C GLU A 2 26.493 3.546 -32.172 1.00 0.00 C ATOM 14 O GLU A 2 27.133 2.576 -31.771 1.00 0.00 O ATOM 15 CB GLU A 2 27.077 4.069 -34.568 1.00 0.00 C ATOM 16 CG GLU A 2 25.788 4.526 -35.255 1.00 0.00 C ATOM 17 CD GLU A 2 25.887 4.358 -36.773 1.00 0.00 C ATOM 18 OE1 GLU A 2 26.032 3.195 -37.207 1.00 0.00 O ATOM 19 OE2 GLU A 2 25.812 5.396 -37.465 1.00 0.00 O ATOM 0 H GLU A 2 28.810 4.331 -31.887 1.00 0.00 H new ATOM 0 HA GLU A 2 26.563 5.490 -33.066 1.00 0.00 H new ATOM 0 HB2 GLU A 2 27.939 4.446 -35.117 1.00 0.00 H new ATOM 0 HB3 GLU A 2 27.138 2.981 -34.588 1.00 0.00 H new ATOM 0 HG2 GLU A 2 24.945 3.948 -34.876 1.00 0.00 H new ATOM 0 HG3 GLU A 2 25.593 5.571 -35.013 1.00 0.00 H new ATOM 26 N GLU A 3 25.236 3.804 -31.840 1.00 0.00 N ATOM 27 CA GLU A 3 24.503 2.925 -30.945 1.00 0.00 C ATOM 28 C GLU A 3 23.070 3.430 -30.762 1.00 0.00 C ATOM 29 O GLU A 3 22.765 4.577 -31.085 1.00 0.00 O ATOM 30 CB GLU A 3 25.214 2.796 -29.597 1.00 0.00 C ATOM 31 CG GLU A 3 25.245 4.136 -28.862 1.00 0.00 C ATOM 32 CD GLU A 3 26.684 4.583 -28.594 1.00 0.00 C ATOM 33 OE1 GLU A 3 27.423 4.743 -29.590 1.00 0.00 O ATOM 34 OE2 GLU A 3 27.013 4.753 -27.401 1.00 0.00 O ATOM 0 H GLU A 3 24.707 4.609 -32.175 1.00 0.00 H new ATOM 0 HA GLU A 3 24.465 1.933 -31.394 1.00 0.00 H new ATOM 0 HB2 GLU A 3 24.705 2.053 -28.983 1.00 0.00 H new ATOM 0 HB3 GLU A 3 26.232 2.439 -29.752 1.00 0.00 H new ATOM 0 HG2 GLU A 3 24.730 4.892 -29.455 1.00 0.00 H new ATOM 0 HG3 GLU A 3 24.706 4.050 -27.919 1.00 0.00 H new ATOM 41 N SER A 4 22.228 2.549 -30.244 1.00 0.00 N ATOM 42 CA SER A 4 20.834 2.891 -30.013 1.00 0.00 C ATOM 43 C SER A 4 20.034 1.629 -29.677 1.00 0.00 C ATOM 44 O SER A 4 20.337 0.547 -30.177 1.00 0.00 O ATOM 45 CB SER A 4 20.230 3.593 -31.231 1.00 0.00 C ATOM 46 OG SER A 4 20.582 2.944 -32.450 1.00 0.00 O ATOM 0 H SER A 4 22.484 1.598 -29.977 1.00 0.00 H new ATOM 0 HA SER A 4 20.786 3.580 -29.169 1.00 0.00 H new ATOM 0 HB2 SER A 4 19.145 3.618 -31.134 1.00 0.00 H new ATOM 0 HB3 SER A 4 20.571 4.628 -31.259 1.00 0.00 H new ATOM 0 HG SER A 4 20.176 3.421 -33.204 1.00 0.00 H new ATOM 52 N SER A 5 19.030 1.812 -28.834 1.00 0.00 N ATOM 53 CA SER A 5 18.184 0.702 -28.425 1.00 0.00 C ATOM 54 C SER A 5 17.233 1.150 -27.314 1.00 0.00 C ATOM 55 O SER A 5 17.496 2.137 -26.629 1.00 0.00 O ATOM 56 CB SER A 5 19.024 -0.488 -27.958 1.00 0.00 C ATOM 57 OG SER A 5 18.632 -1.702 -28.592 1.00 0.00 O ATOM 0 H SER A 5 18.782 2.712 -28.422 1.00 0.00 H new ATOM 0 HA SER A 5 17.599 0.382 -29.287 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.076 -0.293 -28.168 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.929 -0.597 -26.878 1.00 0.00 H new ATOM 0 HG SER A 5 19.194 -2.437 -28.268 1.00 0.00 H new ATOM 63 N LYS A 6 16.149 0.403 -27.170 1.00 0.00 N ATOM 64 CA LYS A 6 15.157 0.710 -26.155 1.00 0.00 C ATOM 65 C LYS A 6 13.933 -0.184 -26.356 1.00 0.00 C ATOM 66 O LYS A 6 13.179 -0.007 -27.311 1.00 0.00 O ATOM 67 CB LYS A 6 14.834 2.206 -26.158 1.00 0.00 C ATOM 68 CG LYS A 6 15.227 2.855 -24.829 1.00 0.00 C ATOM 69 CD LYS A 6 15.536 4.342 -25.017 1.00 0.00 C ATOM 70 CE LYS A 6 15.104 5.150 -23.791 1.00 0.00 C ATOM 71 NZ LYS A 6 16.124 5.054 -22.722 1.00 0.00 N ATOM 0 H LYS A 6 15.936 -0.415 -27.740 1.00 0.00 H new ATOM 0 HA LYS A 6 15.549 0.493 -25.161 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.364 2.694 -26.976 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.769 2.351 -26.337 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.418 2.736 -24.108 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.099 2.348 -24.416 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.604 4.477 -25.188 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.022 4.715 -25.903 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.957 6.194 -24.069 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.147 4.780 -23.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.816 5.608 -21.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.244 4.059 -22.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.029 5.428 -23.071 1.00 0.00 H new ATOM 85 N ALA A 7 13.772 -1.128 -25.438 1.00 0.00 N ATOM 86 CA ALA A 7 12.650 -2.051 -25.503 1.00 0.00 C ATOM 87 C ALA A 7 12.676 -2.963 -24.275 1.00 0.00 C ATOM 88 O ALA A 7 13.107 -4.112 -24.358 1.00 0.00 O ATOM 89 CB ALA A 7 12.712 -2.837 -26.815 1.00 0.00 C ATOM 0 H ALA A 7 14.399 -1.273 -24.647 1.00 0.00 H new ATOM 0 HA ALA A 7 11.704 -1.509 -25.492 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.871 -3.529 -26.865 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.663 -2.145 -27.656 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.646 -3.397 -26.860 1.00 0.00 H new ATOM 95 N VAL A 8 12.209 -2.416 -23.162 1.00 0.00 N ATOM 96 CA VAL A 8 12.173 -3.166 -21.917 1.00 0.00 C ATOM 97 C VAL A 8 11.769 -4.612 -22.210 1.00 0.00 C ATOM 98 O VAL A 8 12.534 -5.539 -21.951 1.00 0.00 O ATOM 99 CB VAL A 8 11.243 -2.475 -20.917 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.188 -1.635 -21.640 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.587 -3.495 -19.984 1.00 0.00 C ATOM 0 H VAL A 8 11.852 -1.463 -23.096 1.00 0.00 H new ATOM 0 HA VAL A 8 13.161 -3.192 -21.457 1.00 0.00 H new ATOM 0 HB VAL A 8 11.846 -1.803 -20.307 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.540 -1.155 -20.907 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.681 -0.873 -22.243 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.590 -2.278 -22.286 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.931 -2.978 -19.283 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.004 -4.203 -20.572 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.358 -4.031 -19.431 1.00 0.00 H new ATOM 111 N LYS A 9 10.566 -4.760 -22.746 1.00 0.00 N ATOM 112 CA LYS A 9 10.049 -6.077 -23.076 1.00 0.00 C ATOM 113 C LYS A 9 9.587 -6.775 -21.798 1.00 0.00 C ATOM 114 O LYS A 9 8.430 -7.180 -21.691 1.00 0.00 O ATOM 115 CB LYS A 9 11.088 -6.874 -23.871 1.00 0.00 C ATOM 116 CG LYS A 9 10.569 -7.206 -25.272 1.00 0.00 C ATOM 117 CD LYS A 9 10.070 -8.651 -25.344 1.00 0.00 C ATOM 118 CE LYS A 9 10.983 -9.503 -26.230 1.00 0.00 C ATOM 119 NZ LYS A 9 11.001 -8.974 -27.611 1.00 0.00 N ATOM 0 H LYS A 9 9.934 -3.988 -22.960 1.00 0.00 H new ATOM 0 HA LYS A 9 9.177 -5.993 -23.725 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.011 -6.300 -23.948 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.329 -7.795 -23.341 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.760 -6.525 -25.535 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.363 -7.055 -26.003 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.030 -9.076 -24.341 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.054 -8.669 -25.738 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.994 -9.508 -25.823 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.636 -10.536 -26.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.111 -9.760 -28.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.109 -8.476 -27.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.797 -8.313 -27.719 1.00 0.00 H new ATOM 133 N TYR A 10 10.514 -6.894 -20.857 1.00 0.00 N ATOM 134 CA TYR A 10 10.214 -7.535 -19.589 1.00 0.00 C ATOM 135 C TYR A 10 10.806 -6.744 -18.421 1.00 0.00 C ATOM 136 O TYR A 10 12.019 -6.553 -18.348 1.00 0.00 O ATOM 137 CB TYR A 10 10.879 -8.912 -19.646 1.00 0.00 C ATOM 138 CG TYR A 10 11.701 -9.155 -20.913 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.981 -8.649 -21.011 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.161 -9.878 -21.957 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.754 -8.877 -22.205 1.00 0.00 C ATOM 142 CE2 TYR A 10 11.935 -10.106 -23.150 1.00 0.00 C ATOM 143 CZ TYR A 10 13.194 -9.594 -23.214 1.00 0.00 C ATOM 144 OH TYR A 10 13.925 -9.809 -24.341 1.00 0.00 O ATOM 0 H TYR A 10 11.472 -6.557 -20.949 1.00 0.00 H new ATOM 0 HA TYR A 10 9.137 -7.596 -19.435 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.527 -9.027 -18.777 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.108 -9.679 -19.573 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.403 -8.083 -20.194 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.159 -10.273 -21.880 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.757 -8.486 -22.296 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.526 -10.670 -23.975 1.00 0.00 H new ATOM 0 HH TYR A 10 13.660 -10.662 -24.745 1.00 0.00 H new ATOM 154 N TYR A 11 9.923 -6.305 -17.536 1.00 0.00 N ATOM 155 CA TYR A 11 10.344 -5.540 -16.375 1.00 0.00 C ATOM 156 C TYR A 11 9.785 -6.147 -15.086 1.00 0.00 C ATOM 157 O TYR A 11 8.924 -7.023 -15.131 1.00 0.00 O ATOM 158 CB TYR A 11 9.759 -4.138 -16.559 1.00 0.00 C ATOM 159 CG TYR A 11 10.804 -3.063 -16.868 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.971 -3.404 -17.517 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.576 -1.754 -16.495 1.00 0.00 C ATOM 162 CE1 TYR A 11 12.956 -2.393 -17.807 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.560 -0.743 -16.785 1.00 0.00 C ATOM 164 CZ TYR A 11 12.701 -1.112 -17.426 1.00 0.00 C ATOM 165 OH TYR A 11 13.629 -0.156 -17.700 1.00 0.00 O ATOM 0 H TYR A 11 8.918 -6.465 -17.600 1.00 0.00 H new ATOM 0 HA TYR A 11 11.431 -5.533 -16.294 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.029 -4.163 -17.368 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.222 -3.858 -15.653 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.147 -4.429 -17.808 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.661 -1.488 -15.986 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.875 -2.646 -18.315 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.395 0.285 -16.500 1.00 0.00 H new ATOM 0 HH TYR A 11 13.312 0.711 -17.371 1.00 0.00 H new ATOM 175 N THR A 12 10.299 -5.656 -13.968 1.00 0.00 N ATOM 176 CA THR A 12 9.863 -6.139 -12.668 1.00 0.00 C ATOM 177 C THR A 12 8.987 -5.090 -11.977 1.00 0.00 C ATOM 178 O THR A 12 9.066 -3.905 -12.293 1.00 0.00 O ATOM 179 CB THR A 12 11.106 -6.519 -11.863 1.00 0.00 C ATOM 180 OG1 THR A 12 11.784 -5.281 -11.665 1.00 0.00 O ATOM 181 CG2 THR A 12 12.094 -7.359 -12.675 1.00 0.00 C ATOM 0 H THR A 12 11.013 -4.929 -13.935 1.00 0.00 H new ATOM 0 HA THR A 12 9.238 -7.027 -12.764 1.00 0.00 H new ATOM 0 HB THR A 12 10.807 -7.070 -10.972 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.723 -5.454 -11.445 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.959 -7.602 -12.057 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.609 -8.280 -12.998 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.419 -6.794 -13.549 1.00 0.00 H new ATOM 189 N LEU A 13 8.173 -5.568 -11.046 1.00 0.00 N ATOM 190 CA LEU A 13 7.286 -4.686 -10.307 1.00 0.00 C ATOM 191 C LEU A 13 8.059 -3.443 -9.864 1.00 0.00 C ATOM 192 O LEU A 13 7.523 -2.335 -9.880 1.00 0.00 O ATOM 193 CB LEU A 13 6.622 -5.441 -9.152 1.00 0.00 C ATOM 194 CG LEU A 13 5.161 -5.844 -9.367 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.563 -6.437 -8.090 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.339 -4.664 -9.892 1.00 0.00 C ATOM 0 H LEU A 13 8.110 -6.553 -10.787 1.00 0.00 H new ATOM 0 HA LEU A 13 6.472 -4.343 -10.946 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.201 -6.342 -8.952 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.679 -4.821 -8.258 1.00 0.00 H new ATOM 0 HG LEU A 13 5.129 -6.623 -10.129 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.524 -6.715 -8.270 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.130 -7.321 -7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.608 -5.698 -7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.305 -4.977 -10.036 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.374 -3.847 -9.171 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.752 -4.327 -10.843 1.00 0.00 H new ATOM 208 N GLU A 14 9.308 -3.667 -9.479 1.00 0.00 N ATOM 209 CA GLU A 14 10.159 -2.578 -9.032 1.00 0.00 C ATOM 210 C GLU A 14 10.496 -1.654 -10.204 1.00 0.00 C ATOM 211 O GLU A 14 10.268 -0.447 -10.132 1.00 0.00 O ATOM 212 CB GLU A 14 11.432 -3.114 -8.373 1.00 0.00 C ATOM 213 CG GLU A 14 11.620 -2.515 -6.978 1.00 0.00 C ATOM 214 CD GLU A 14 10.906 -3.359 -5.919 1.00 0.00 C ATOM 215 OE1 GLU A 14 11.551 -4.307 -5.420 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.733 -3.036 -5.633 1.00 0.00 O ATOM 0 H GLU A 14 9.750 -4.586 -9.468 1.00 0.00 H new ATOM 0 HA GLU A 14 9.616 -2.001 -8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.380 -4.200 -8.302 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.295 -2.876 -8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.683 -2.455 -6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.231 -1.497 -6.960 1.00 0.00 H new ATOM 223 N GLU A 15 11.033 -2.254 -11.255 1.00 0.00 N ATOM 224 CA GLU A 15 11.404 -1.499 -12.441 1.00 0.00 C ATOM 225 C GLU A 15 10.279 -0.539 -12.830 1.00 0.00 C ATOM 226 O GLU A 15 10.537 0.569 -13.301 1.00 0.00 O ATOM 227 CB GLU A 15 11.753 -2.435 -13.599 1.00 0.00 C ATOM 228 CG GLU A 15 12.941 -3.330 -13.243 1.00 0.00 C ATOM 229 CD GLU A 15 14.257 -2.710 -13.715 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.201 -1.944 -14.701 1.00 0.00 O ATOM 231 OE2 GLU A 15 15.289 -3.015 -13.080 1.00 0.00 O ATOM 0 H GLU A 15 11.221 -3.255 -11.311 1.00 0.00 H new ATOM 0 HA GLU A 15 12.293 -0.912 -12.213 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.889 -3.052 -13.845 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.989 -1.848 -14.487 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.974 -3.484 -12.164 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.812 -4.311 -13.701 1.00 0.00 H new ATOM 238 N ILE A 16 9.053 -0.997 -12.622 1.00 0.00 N ATOM 239 CA ILE A 16 7.888 -0.191 -12.945 1.00 0.00 C ATOM 240 C ILE A 16 7.583 0.750 -11.778 1.00 0.00 C ATOM 241 O ILE A 16 7.125 1.872 -11.986 1.00 0.00 O ATOM 242 CB ILE A 16 6.710 -1.087 -13.337 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.163 -2.214 -14.267 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.574 -0.263 -13.945 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.665 -3.572 -13.768 1.00 0.00 C ATOM 0 H ILE A 16 8.841 -1.916 -12.234 1.00 0.00 H new ATOM 0 HA ILE A 16 8.087 0.435 -13.815 1.00 0.00 H new ATOM 0 HB ILE A 16 6.321 -1.554 -12.433 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.787 -2.033 -15.274 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.251 -2.223 -14.330 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.750 -0.923 -14.215 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.228 0.471 -13.218 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.934 0.251 -14.836 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.001 -4.355 -14.448 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.063 -3.761 -12.771 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.576 -3.568 -13.729 1.00 0.00 H new ATOM 257 N GLN A 17 7.850 0.258 -10.578 1.00 0.00 N ATOM 258 CA GLN A 17 7.610 1.042 -9.378 1.00 0.00 C ATOM 259 C GLN A 17 8.541 2.255 -9.342 1.00 0.00 C ATOM 260 O GLN A 17 8.178 3.305 -8.817 1.00 0.00 O ATOM 261 CB GLN A 17 7.777 0.185 -8.121 1.00 0.00 C ATOM 262 CG GLN A 17 6.765 0.587 -7.045 1.00 0.00 C ATOM 263 CD GLN A 17 7.471 0.931 -5.732 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.227 0.148 -5.180 1.00 0.00 O ATOM 265 NE2 GLN A 17 7.183 2.143 -5.264 1.00 0.00 N ATOM 0 H GLN A 17 8.230 -0.674 -10.410 1.00 0.00 H new ATOM 0 HA GLN A 17 6.580 1.399 -9.400 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.646 -0.867 -8.374 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.789 0.296 -7.733 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.186 1.445 -7.387 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.060 -0.228 -6.881 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.542 2.748 -5.776 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.604 2.467 -4.393 1.00 0.00 H new ATOM 274 N LYS A 18 9.726 2.070 -9.907 1.00 0.00 N ATOM 275 CA LYS A 18 10.711 3.136 -9.946 1.00 0.00 C ATOM 276 C LYS A 18 10.244 4.222 -10.919 1.00 0.00 C ATOM 277 O LYS A 18 10.546 5.399 -10.731 1.00 0.00 O ATOM 278 CB LYS A 18 12.096 2.574 -10.271 1.00 0.00 C ATOM 279 CG LYS A 18 12.487 1.473 -9.283 1.00 0.00 C ATOM 280 CD LYS A 18 13.092 2.068 -8.010 1.00 0.00 C ATOM 281 CE LYS A 18 14.434 2.742 -8.303 1.00 0.00 C ATOM 282 NZ LYS A 18 14.505 4.065 -7.644 1.00 0.00 N ATOM 0 H LYS A 18 10.025 1.197 -10.341 1.00 0.00 H new ATOM 0 HA LYS A 18 10.804 3.604 -8.966 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.102 2.176 -11.286 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.834 3.375 -10.239 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.609 0.879 -9.029 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.205 0.798 -9.750 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.402 2.795 -7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.230 1.282 -7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.249 2.110 -7.951 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.562 2.858 -9.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.422 4.508 -7.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.738 4.671 -7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.404 3.946 -6.616 1.00 0.00 H new ATOM 296 N HIS A 19 9.515 3.785 -11.936 1.00 0.00 N ATOM 297 CA HIS A 19 9.004 4.706 -12.938 1.00 0.00 C ATOM 298 C HIS A 19 7.573 5.110 -12.578 1.00 0.00 C ATOM 299 O HIS A 19 6.618 4.438 -12.962 1.00 0.00 O ATOM 300 CB HIS A 19 9.116 4.100 -14.337 1.00 0.00 C ATOM 301 CG HIS A 19 10.454 4.328 -15.001 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.578 4.795 -16.296 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.722 4.148 -14.531 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.868 4.888 -16.587 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.575 4.486 -15.491 1.00 0.00 N ATOM 0 H HIS A 19 9.266 2.807 -12.088 1.00 0.00 H new ATOM 0 HA HIS A 19 9.609 5.613 -12.949 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.932 3.028 -14.273 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.333 4.521 -14.968 1.00 0.00 H new ATOM 0 HD1 HIS A 19 9.807 5.029 -16.922 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.987 3.792 -13.547 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.285 5.223 -17.525 1.00 0.00 H new ATOM 314 N ASN A 20 7.469 6.210 -11.846 1.00 0.00 N ATOM 315 CA ASN A 20 6.171 6.713 -11.431 1.00 0.00 C ATOM 316 C ASN A 20 6.172 8.241 -11.509 1.00 0.00 C ATOM 317 O ASN A 20 5.319 8.897 -10.913 1.00 0.00 O ATOM 318 CB ASN A 20 5.861 6.314 -9.987 1.00 0.00 C ATOM 319 CG ASN A 20 4.846 7.271 -9.358 1.00 0.00 C ATOM 320 OD1 ASN A 20 3.685 7.328 -10.004 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 5.102 7.916 -8.356 1.00 0.00 N flip ATOM 0 H ASN A 20 8.263 6.767 -11.530 1.00 0.00 H new ATOM 0 HA ASN A 20 5.417 6.286 -12.093 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.470 5.297 -9.963 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.780 6.316 -9.400 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.015 7.824 -7.910 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.404 8.548 -7.964 1.00 0.00 H new ATOM 328 N ASN A 21 7.139 8.763 -12.250 1.00 0.00 N ATOM 329 CA ASN A 21 7.262 10.202 -12.412 1.00 0.00 C ATOM 330 C ASN A 21 6.707 10.605 -13.780 1.00 0.00 C ATOM 331 O ASN A 21 6.630 9.781 -14.690 1.00 0.00 O ATOM 332 CB ASN A 21 8.728 10.639 -12.349 1.00 0.00 C ATOM 333 CG ASN A 21 9.244 10.621 -10.909 1.00 0.00 C ATOM 334 OD1 ASN A 21 8.686 11.236 -10.014 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.336 9.885 -10.736 1.00 0.00 N ATOM 0 H ASN A 21 7.844 8.216 -12.744 1.00 0.00 H new ATOM 0 HA ASN A 21 6.707 10.682 -11.606 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.336 9.976 -12.965 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.830 11.642 -12.763 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.758 9.809 -9.811 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.752 9.396 -11.528 1.00 0.00 H new ATOM 342 N SER A 22 6.333 11.872 -13.881 1.00 0.00 N ATOM 343 CA SER A 22 5.788 12.394 -15.122 1.00 0.00 C ATOM 344 C SER A 22 6.812 12.246 -16.249 1.00 0.00 C ATOM 345 O SER A 22 6.471 12.369 -17.424 1.00 0.00 O ATOM 346 CB SER A 22 5.377 13.860 -14.969 1.00 0.00 C ATOM 347 OG SER A 22 4.158 13.999 -14.242 1.00 0.00 O ATOM 0 H SER A 22 6.397 12.552 -13.124 1.00 0.00 H new ATOM 0 HA SER A 22 4.897 11.818 -15.372 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.169 14.407 -14.457 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.264 14.310 -15.955 1.00 0.00 H new ATOM 0 HG SER A 22 3.930 14.949 -14.164 1.00 0.00 H new ATOM 353 N LYS A 23 8.049 11.986 -15.850 1.00 0.00 N ATOM 354 CA LYS A 23 9.127 11.820 -16.810 1.00 0.00 C ATOM 355 C LYS A 23 9.358 10.328 -17.057 1.00 0.00 C ATOM 356 O LYS A 23 9.940 9.946 -18.072 1.00 0.00 O ATOM 357 CB LYS A 23 10.378 12.568 -16.347 1.00 0.00 C ATOM 358 CG LYS A 23 10.945 11.951 -15.067 1.00 0.00 C ATOM 359 CD LYS A 23 12.473 11.894 -15.117 1.00 0.00 C ATOM 360 CE LYS A 23 12.980 10.491 -14.774 1.00 0.00 C ATOM 361 NZ LYS A 23 14.455 10.489 -14.652 1.00 0.00 N ATOM 0 H LYS A 23 8.328 11.886 -14.874 1.00 0.00 H new ATOM 0 HA LYS A 23 8.856 12.264 -17.768 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.133 12.542 -17.133 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.135 13.616 -16.173 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.627 12.537 -14.205 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.544 10.946 -14.935 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.819 12.177 -16.111 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.891 12.617 -14.417 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.531 10.154 -13.840 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.672 9.787 -15.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.783 9.530 -14.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.878 10.790 -15.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.742 11.145 -13.898 1.00 0.00 H new ATOM 375 N SER A 24 8.892 9.525 -16.112 1.00 0.00 N ATOM 376 CA SER A 24 9.042 8.083 -16.215 1.00 0.00 C ATOM 377 C SER A 24 7.776 7.389 -15.708 1.00 0.00 C ATOM 378 O SER A 24 7.829 6.610 -14.757 1.00 0.00 O ATOM 379 CB SER A 24 10.263 7.599 -15.430 1.00 0.00 C ATOM 380 OG SER A 24 11.378 7.348 -16.279 1.00 0.00 O ATOM 0 H SER A 24 8.411 9.845 -15.272 1.00 0.00 H new ATOM 0 HA SER A 24 9.194 7.828 -17.264 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.535 8.347 -14.686 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.008 6.688 -14.888 1.00 0.00 H new ATOM 0 HG SER A 24 12.200 7.340 -15.746 1.00 0.00 H new ATOM 386 N THR A 25 6.666 7.696 -16.367 1.00 0.00 N ATOM 387 CA THR A 25 5.390 7.110 -15.995 1.00 0.00 C ATOM 388 C THR A 25 5.248 5.713 -16.600 1.00 0.00 C ATOM 389 O THR A 25 4.890 5.572 -17.769 1.00 0.00 O ATOM 390 CB THR A 25 4.284 8.075 -16.426 1.00 0.00 C ATOM 391 OG1 THR A 25 4.859 9.367 -16.242 1.00 0.00 O ATOM 392 CG2 THR A 25 3.088 8.060 -15.472 1.00 0.00 C ATOM 0 H THR A 25 6.625 8.342 -17.155 1.00 0.00 H new ATOM 0 HA THR A 25 5.318 6.971 -14.916 1.00 0.00 H new ATOM 0 HB THR A 25 3.949 7.817 -17.431 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.177 9.455 -15.319 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.333 8.762 -15.824 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.663 7.057 -15.437 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.415 8.350 -14.474 1.00 0.00 H new ATOM 400 N TRP A 26 5.534 4.715 -15.778 1.00 0.00 N ATOM 401 CA TRP A 26 5.442 3.332 -16.217 1.00 0.00 C ATOM 402 C TRP A 26 4.411 2.623 -15.337 1.00 0.00 C ATOM 403 O TRP A 26 4.347 2.864 -14.133 1.00 0.00 O ATOM 404 CB TRP A 26 6.815 2.657 -16.193 1.00 0.00 C ATOM 405 CG TRP A 26 7.748 3.102 -17.321 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.873 4.325 -17.854 1.00 0.00 C ATOM 407 CD2 TRP A 26 8.687 2.273 -18.038 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.821 4.346 -18.857 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.331 3.058 -18.972 1.00 0.00 C ATOM 410 CE3 TRP A 26 8.983 0.905 -17.900 1.00 0.00 C ATOM 411 CZ2 TRP A 26 10.311 2.566 -19.841 1.00 0.00 C ATOM 412 CZ3 TRP A 26 9.965 0.429 -18.777 1.00 0.00 C ATOM 413 CH2 TRP A 26 10.623 1.205 -19.724 1.00 0.00 C ATOM 0 H TRP A 26 5.830 4.836 -14.809 1.00 0.00 H new ATOM 0 HA TRP A 26 5.109 3.278 -17.254 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.294 2.865 -15.236 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.679 1.577 -16.253 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.303 5.186 -17.538 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.096 5.157 -19.411 1.00 0.00 H new ATOM 0 HE3 TRP A 26 8.492 0.272 -17.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.801 3.202 -20.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 10.230 -0.616 -18.713 1.00 0.00 H new ATOM 0 HH2 TRP A 26 11.370 0.762 -20.366 1.00 0.00 H new ATOM 424 N LEU A 27 3.629 1.764 -15.973 1.00 0.00 N ATOM 425 CA LEU A 27 2.604 1.019 -15.263 1.00 0.00 C ATOM 426 C LEU A 27 2.387 -0.330 -15.956 1.00 0.00 C ATOM 427 O LEU A 27 2.877 -0.548 -17.061 1.00 0.00 O ATOM 428 CB LEU A 27 1.328 1.853 -15.130 1.00 0.00 C ATOM 429 CG LEU A 27 0.284 1.661 -16.230 1.00 0.00 C ATOM 430 CD1 LEU A 27 0.947 1.550 -17.604 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.616 0.460 -15.929 1.00 0.00 C ATOM 0 H LEU A 27 3.685 1.567 -16.972 1.00 0.00 H new ATOM 0 HA LEU A 27 2.926 0.807 -14.243 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.864 1.620 -14.172 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.607 2.906 -15.102 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.354 2.544 -16.252 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.181 1.414 -18.368 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.509 2.461 -17.812 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.624 0.696 -17.613 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.350 0.346 -16.727 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.008 -0.443 -15.863 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.132 0.620 -14.982 1.00 0.00 H new ATOM 443 N ILE A 28 1.651 -1.196 -15.275 1.00 0.00 N ATOM 444 CA ILE A 28 1.364 -2.516 -15.812 1.00 0.00 C ATOM 445 C ILE A 28 -0.143 -2.651 -16.039 1.00 0.00 C ATOM 446 O ILE A 28 -0.936 -2.444 -15.121 1.00 0.00 O ATOM 447 CB ILE A 28 1.948 -3.601 -14.904 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.221 -3.111 -14.211 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.182 -4.898 -15.682 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.359 -3.723 -12.817 1.00 0.00 C ATOM 0 H ILE A 28 1.245 -1.010 -14.358 1.00 0.00 H new ATOM 0 HA ILE A 28 1.847 -2.648 -16.780 1.00 0.00 H new ATOM 0 HB ILE A 28 1.221 -3.820 -14.122 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.091 -3.372 -14.814 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.201 -2.024 -14.134 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.597 -5.653 -15.014 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.235 -5.254 -16.088 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.880 -4.712 -16.498 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.272 -3.357 -12.348 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.500 -3.440 -12.209 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.403 -4.809 -12.899 1.00 0.00 H new ATOM 462 N LEU A 29 -0.493 -2.998 -17.268 1.00 0.00 N ATOM 463 CA LEU A 29 -1.891 -3.164 -17.630 1.00 0.00 C ATOM 464 C LEU A 29 -2.132 -4.609 -18.071 1.00 0.00 C ATOM 465 O LEU A 29 -1.438 -5.117 -18.950 1.00 0.00 O ATOM 466 CB LEU A 29 -2.300 -2.125 -18.677 1.00 0.00 C ATOM 467 CG LEU A 29 -3.640 -1.426 -18.438 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.183 -0.825 -19.738 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.645 -2.374 -17.782 1.00 0.00 C ATOM 0 H LEU A 29 0.167 -3.169 -18.027 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.532 -2.983 -16.767 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.520 -1.365 -18.730 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.336 -2.614 -19.651 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.476 -0.602 -17.744 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.136 -0.334 -19.542 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.472 -0.096 -20.126 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.328 -1.617 -20.473 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.588 -1.851 -17.624 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.811 -3.234 -18.431 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.253 -2.713 -16.823 1.00 0.00 H new ATOM 481 N HIS A 30 -3.116 -5.230 -17.439 1.00 0.00 N ATOM 482 CA HIS A 30 -3.458 -6.606 -17.755 1.00 0.00 C ATOM 483 C HIS A 30 -2.335 -7.534 -17.285 1.00 0.00 C ATOM 484 O HIS A 30 -2.560 -8.421 -16.463 1.00 0.00 O ATOM 485 CB HIS A 30 -3.770 -6.761 -19.245 1.00 0.00 C ATOM 486 CG HIS A 30 -4.877 -5.860 -19.737 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.713 -4.496 -19.909 1.00 0.00 N ATOM 488 CD2 HIS A 30 -6.164 -6.141 -20.092 1.00 0.00 C ATOM 489 CE1 HIS A 30 -5.856 -3.990 -20.347 1.00 0.00 C ATOM 490 NE2 HIS A 30 -6.754 -5.010 -20.461 1.00 0.00 N ATOM 0 H HIS A 30 -3.688 -4.805 -16.709 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.365 -6.890 -17.222 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.866 -6.555 -19.818 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -4.044 -7.797 -19.443 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.858 -3.970 -19.729 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.625 -7.118 -20.076 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.044 -2.951 -20.574 1.00 0.00 H new ATOM 499 N TYR A 31 -1.150 -7.298 -17.828 1.00 0.00 N ATOM 500 CA TYR A 31 0.008 -8.101 -17.475 1.00 0.00 C ATOM 501 C TYR A 31 1.262 -7.603 -18.198 1.00 0.00 C ATOM 502 O TYR A 31 2.338 -8.182 -18.054 1.00 0.00 O ATOM 503 CB TYR A 31 -0.305 -9.523 -17.943 1.00 0.00 C ATOM 504 CG TYR A 31 -0.585 -9.636 -19.444 1.00 0.00 C ATOM 505 CD1 TYR A 31 -1.865 -9.440 -19.924 1.00 0.00 C ATOM 506 CD2 TYR A 31 0.441 -9.936 -20.316 1.00 0.00 C ATOM 507 CE1 TYR A 31 -2.128 -9.546 -21.336 1.00 0.00 C ATOM 508 CE2 TYR A 31 0.177 -10.043 -21.728 1.00 0.00 C ATOM 509 CZ TYR A 31 -1.094 -9.843 -22.168 1.00 0.00 C ATOM 510 OH TYR A 31 -1.343 -9.944 -23.502 1.00 0.00 O ATOM 0 H TYR A 31 -0.967 -6.562 -18.510 1.00 0.00 H new ATOM 0 HA TYR A 31 0.200 -8.047 -16.403 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.534 -10.171 -17.690 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.170 -9.893 -17.393 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.668 -9.207 -19.241 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.442 -10.091 -19.940 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.124 -9.393 -21.725 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.971 -10.277 -22.422 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.086 -9.352 -23.742 1.00 0.00 H new ATOM 520 N LYS A 32 1.081 -6.536 -18.962 1.00 0.00 N ATOM 521 CA LYS A 32 2.183 -5.953 -19.708 1.00 0.00 C ATOM 522 C LYS A 32 2.573 -4.617 -19.073 1.00 0.00 C ATOM 523 O LYS A 32 1.921 -4.155 -18.140 1.00 0.00 O ATOM 524 CB LYS A 32 1.830 -5.850 -21.193 1.00 0.00 C ATOM 525 CG LYS A 32 1.572 -7.234 -21.793 1.00 0.00 C ATOM 526 CD LYS A 32 0.714 -7.132 -23.055 1.00 0.00 C ATOM 527 CE LYS A 32 1.560 -7.340 -24.313 1.00 0.00 C ATOM 528 NZ LYS A 32 1.074 -8.510 -25.077 1.00 0.00 N ATOM 0 H LYS A 32 0.187 -6.060 -19.081 1.00 0.00 H new ATOM 0 HA LYS A 32 3.061 -6.598 -19.658 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.946 -5.225 -21.318 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.643 -5.362 -21.731 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.521 -7.714 -22.032 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.072 -7.865 -21.059 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.081 -7.877 -23.020 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.233 -6.155 -23.094 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.519 -6.448 -24.938 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.604 -7.487 -24.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.858 -9.176 -25.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.316 -8.982 -24.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.705 -8.195 -25.997 1.00 0.00 H new ATOM 542 N VAL A 33 3.637 -4.033 -19.607 1.00 0.00 N ATOM 543 CA VAL A 33 4.122 -2.759 -19.105 1.00 0.00 C ATOM 544 C VAL A 33 3.961 -1.694 -20.191 1.00 0.00 C ATOM 545 O VAL A 33 4.420 -1.876 -21.317 1.00 0.00 O ATOM 546 CB VAL A 33 5.564 -2.903 -18.618 1.00 0.00 C ATOM 547 CG1 VAL A 33 6.181 -1.536 -18.315 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.642 -3.823 -17.398 1.00 0.00 C ATOM 0 H VAL A 33 4.176 -4.419 -20.382 1.00 0.00 H new ATOM 0 HA VAL A 33 3.534 -2.438 -18.245 1.00 0.00 H new ATOM 0 HB VAL A 33 6.143 -3.361 -19.420 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.207 -1.668 -17.971 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.177 -0.927 -19.219 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.599 -1.038 -17.539 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.679 -3.908 -17.072 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.040 -3.407 -16.590 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.263 -4.810 -17.662 1.00 0.00 H new ATOM 558 N TYR A 34 3.309 -0.604 -19.815 1.00 0.00 N ATOM 559 CA TYR A 34 3.082 0.491 -20.742 1.00 0.00 C ATOM 560 C TYR A 34 3.742 1.778 -20.243 1.00 0.00 C ATOM 561 O TYR A 34 3.763 2.045 -19.042 1.00 0.00 O ATOM 562 CB TYR A 34 1.567 0.696 -20.790 1.00 0.00 C ATOM 563 CG TYR A 34 0.775 -0.580 -21.085 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.795 -1.627 -20.186 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.042 -0.685 -22.250 1.00 0.00 C ATOM 566 CE1 TYR A 34 0.050 -2.828 -20.463 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.702 -1.885 -22.527 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.661 -2.897 -21.620 1.00 0.00 C ATOM 569 OH TYR A 34 -1.365 -4.032 -21.883 1.00 0.00 O ATOM 0 H TYR A 34 2.930 -0.456 -18.880 1.00 0.00 H new ATOM 0 HA TYR A 34 3.504 0.259 -21.720 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.236 1.104 -19.835 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.335 1.440 -21.553 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.369 -1.546 -19.275 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.027 0.134 -22.954 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.056 -3.655 -19.768 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.280 -1.980 -23.435 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.483 -4.543 -21.055 1.00 0.00 H new ATOM 579 N ASP A 35 4.268 2.541 -21.191 1.00 0.00 N ATOM 580 CA ASP A 35 4.927 3.793 -20.863 1.00 0.00 C ATOM 581 C ASP A 35 3.882 4.907 -20.769 1.00 0.00 C ATOM 582 O ASP A 35 3.631 5.611 -21.745 1.00 0.00 O ATOM 583 CB ASP A 35 5.937 4.184 -21.944 1.00 0.00 C ATOM 584 CG ASP A 35 7.260 4.746 -21.421 1.00 0.00 C ATOM 585 OD1 ASP A 35 7.200 5.512 -20.435 1.00 0.00 O ATOM 586 OD2 ASP A 35 8.300 4.396 -22.018 1.00 0.00 O ATOM 0 H ASP A 35 4.251 2.316 -22.186 1.00 0.00 H new ATOM 0 HA ASP A 35 5.446 3.661 -19.914 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.149 3.307 -22.556 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.478 4.926 -22.598 1.00 0.00 H new ATOM 591 N LEU A 36 3.300 5.030 -19.585 1.00 0.00 N ATOM 592 CA LEU A 36 2.287 6.045 -19.350 1.00 0.00 C ATOM 593 C LEU A 36 2.836 7.412 -19.766 1.00 0.00 C ATOM 594 O LEU A 36 2.071 8.312 -20.111 1.00 0.00 O ATOM 595 CB LEU A 36 1.802 5.992 -17.900 1.00 0.00 C ATOM 596 CG LEU A 36 0.828 4.863 -17.559 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.095 5.148 -16.247 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.143 4.611 -18.714 1.00 0.00 C ATOM 0 H LEU A 36 3.511 4.443 -18.778 1.00 0.00 H new ATOM 0 HA LEU A 36 1.406 5.854 -19.963 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.672 5.903 -17.250 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.323 6.942 -17.663 1.00 0.00 H new ATOM 0 HG LEU A 36 1.403 3.948 -17.414 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.591 4.330 -16.028 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.820 5.240 -15.438 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.467 6.078 -16.339 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.825 3.804 -18.447 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.714 5.518 -18.913 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.417 4.332 -19.606 1.00 0.00 H new ATOM 610 N THR A 37 4.155 7.524 -19.720 1.00 0.00 N ATOM 611 CA THR A 37 4.814 8.765 -20.087 1.00 0.00 C ATOM 612 C THR A 37 4.153 9.374 -21.327 1.00 0.00 C ATOM 613 O THR A 37 3.854 10.567 -21.354 1.00 0.00 O ATOM 614 CB THR A 37 6.303 8.472 -20.277 1.00 0.00 C ATOM 615 OG1 THR A 37 6.808 8.368 -18.949 1.00 0.00 O ATOM 616 CG2 THR A 37 7.062 9.659 -20.872 1.00 0.00 C ATOM 0 H THR A 37 4.785 6.775 -19.434 1.00 0.00 H new ATOM 0 HA THR A 37 4.712 9.513 -19.301 1.00 0.00 H new ATOM 0 HB THR A 37 6.422 7.604 -20.925 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.769 8.177 -18.978 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.114 9.398 -20.986 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.642 9.908 -21.847 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.971 10.519 -20.208 1.00 0.00 H new ATOM 624 N LYS A 38 3.942 8.525 -22.322 1.00 0.00 N ATOM 625 CA LYS A 38 3.321 8.964 -23.561 1.00 0.00 C ATOM 626 C LYS A 38 1.817 9.140 -23.338 1.00 0.00 C ATOM 627 O LYS A 38 1.204 10.041 -23.907 1.00 0.00 O ATOM 628 CB LYS A 38 3.665 8.004 -24.701 1.00 0.00 C ATOM 629 CG LYS A 38 4.936 8.450 -25.429 1.00 0.00 C ATOM 630 CD LYS A 38 4.661 8.691 -26.914 1.00 0.00 C ATOM 631 CE LYS A 38 5.304 7.601 -27.775 1.00 0.00 C ATOM 632 NZ LYS A 38 5.885 8.186 -29.004 1.00 0.00 N ATOM 0 H LYS A 38 4.190 7.536 -22.296 1.00 0.00 H new ATOM 0 HA LYS A 38 3.715 9.935 -23.862 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.803 6.998 -24.305 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.835 7.958 -25.406 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.319 9.363 -24.973 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.709 7.690 -25.317 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.585 8.711 -27.090 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.050 9.667 -27.206 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.081 7.091 -27.206 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.558 6.851 -28.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.317 7.433 -29.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.136 8.652 -29.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.611 8.884 -28.746 1.00 0.00 H new ATOM 646 N PHE A 39 1.268 8.264 -22.510 1.00 0.00 N ATOM 647 CA PHE A 39 -0.152 8.311 -22.205 1.00 0.00 C ATOM 648 C PHE A 39 -0.407 9.051 -20.890 1.00 0.00 C ATOM 649 O PHE A 39 -0.977 8.488 -19.957 1.00 0.00 O ATOM 650 CB PHE A 39 -0.628 6.865 -22.063 1.00 0.00 C ATOM 651 CG PHE A 39 -2.128 6.677 -22.298 1.00 0.00 C ATOM 652 CD1 PHE A 39 -3.006 7.630 -21.884 1.00 0.00 C ATOM 653 CD2 PHE A 39 -2.584 5.557 -22.922 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.398 7.456 -22.103 1.00 0.00 C ATOM 655 CE2 PHE A 39 -3.977 5.384 -23.140 1.00 0.00 C ATOM 656 CZ PHE A 39 -4.854 6.336 -22.727 1.00 0.00 C ATOM 0 H PHE A 39 1.781 7.517 -22.041 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.684 8.838 -22.997 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.079 6.242 -22.769 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.380 6.508 -21.063 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.644 8.519 -21.389 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.887 4.800 -23.251 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.095 8.213 -21.774 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.339 4.495 -23.635 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.913 6.204 -22.894 1.00 0.00 H new ATOM 666 N LEU A 40 0.029 10.302 -20.857 1.00 0.00 N ATOM 667 CA LEU A 40 -0.143 11.124 -19.673 1.00 0.00 C ATOM 668 C LEU A 40 -1.266 12.135 -19.918 1.00 0.00 C ATOM 669 O LEU A 40 -2.297 12.097 -19.248 1.00 0.00 O ATOM 670 CB LEU A 40 1.184 11.767 -19.267 1.00 0.00 C ATOM 671 CG LEU A 40 1.920 11.107 -18.099 1.00 0.00 C ATOM 672 CD1 LEU A 40 3.070 11.987 -17.608 1.00 0.00 C ATOM 673 CD2 LEU A 40 0.950 10.750 -16.972 1.00 0.00 C ATOM 0 H LEU A 40 0.502 10.766 -21.633 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.445 10.509 -18.825 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.845 11.767 -20.134 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.996 12.809 -19.010 1.00 0.00 H new ATOM 0 HG LEU A 40 2.358 10.174 -18.455 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.576 11.494 -16.778 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.778 12.147 -18.421 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.677 12.947 -17.275 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.499 10.282 -16.154 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.463 11.656 -16.611 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.196 10.057 -17.346 1.00 0.00 H new ATOM 685 N GLU A 41 -1.027 13.015 -20.880 1.00 0.00 N ATOM 686 CA GLU A 41 -2.004 14.034 -21.221 1.00 0.00 C ATOM 687 C GLU A 41 -3.277 13.386 -21.770 1.00 0.00 C ATOM 688 O GLU A 41 -4.301 13.345 -21.089 1.00 0.00 O ATOM 689 CB GLU A 41 -1.426 15.037 -22.220 1.00 0.00 C ATOM 690 CG GLU A 41 -1.587 16.471 -21.714 1.00 0.00 C ATOM 691 CD GLU A 41 -0.805 17.452 -22.591 1.00 0.00 C ATOM 692 OE1 GLU A 41 0.327 17.093 -22.976 1.00 0.00 O ATOM 693 OE2 GLU A 41 -1.359 18.542 -22.856 1.00 0.00 O ATOM 0 H GLU A 41 -0.171 13.043 -21.434 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.259 14.582 -20.314 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.370 14.823 -22.386 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.928 14.928 -23.181 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.643 16.743 -21.710 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.236 16.539 -20.684 1.00 0.00 H new ATOM 700 N GLU A 42 -3.171 12.895 -22.996 1.00 0.00 N ATOM 701 CA GLU A 42 -4.301 12.250 -23.644 1.00 0.00 C ATOM 702 C GLU A 42 -5.042 11.353 -22.650 1.00 0.00 C ATOM 703 O GLU A 42 -4.711 10.178 -22.503 1.00 0.00 O ATOM 704 CB GLU A 42 -3.849 11.454 -24.870 1.00 0.00 C ATOM 705 CG GLU A 42 -3.408 12.389 -25.999 1.00 0.00 C ATOM 706 CD GLU A 42 -4.512 13.389 -26.344 1.00 0.00 C ATOM 707 OE1 GLU A 42 -5.573 12.924 -26.817 1.00 0.00 O ATOM 708 OE2 GLU A 42 -4.273 14.597 -26.131 1.00 0.00 O ATOM 0 H GLU A 42 -2.320 12.931 -23.558 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.988 13.023 -23.987 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.025 10.795 -24.596 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.664 10.819 -25.217 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.507 12.925 -25.701 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.153 11.804 -26.882 1.00 0.00 H new ATOM 715 N HIS A 43 -6.032 11.941 -21.994 1.00 0.00 N ATOM 716 CA HIS A 43 -6.823 11.209 -21.020 1.00 0.00 C ATOM 717 C HIS A 43 -7.828 12.157 -20.361 1.00 0.00 C ATOM 718 O HIS A 43 -7.468 13.253 -19.937 1.00 0.00 O ATOM 719 CB HIS A 43 -5.919 10.506 -20.006 1.00 0.00 C ATOM 720 CG HIS A 43 -6.625 9.460 -19.177 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.509 9.778 -18.161 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.570 8.098 -19.225 1.00 0.00 C ATOM 723 CE1 HIS A 43 -7.957 8.652 -17.628 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.372 7.611 -18.289 1.00 0.00 N ATOM 0 H HIS A 43 -6.304 12.916 -22.118 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.390 10.424 -21.520 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.091 10.036 -20.537 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.488 11.253 -19.340 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.771 10.720 -17.872 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.973 7.515 -19.910 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.661 8.571 -16.813 1.00 0.00 H new ATOM 733 N PRO A 44 -9.102 11.685 -20.294 1.00 0.00 N ATOM 734 CA PRO A 44 -10.163 12.477 -19.695 1.00 0.00 C ATOM 735 C PRO A 44 -10.048 12.481 -18.169 1.00 0.00 C ATOM 736 O PRO A 44 -10.793 11.781 -17.485 1.00 0.00 O ATOM 737 CB PRO A 44 -11.454 11.847 -20.192 1.00 0.00 C ATOM 738 CG PRO A 44 -11.079 10.453 -20.670 1.00 0.00 C ATOM 739 CD PRO A 44 -9.565 10.392 -20.788 1.00 0.00 C ATOM 0 HA PRO A 44 -10.115 13.528 -19.979 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.198 11.800 -19.396 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.889 12.434 -21.001 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.438 9.700 -19.969 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.546 10.241 -21.632 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.155 9.573 -20.198 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.255 10.228 -21.820 1.00 0.00 H new ATOM 747 N GLY A 45 -9.109 13.277 -17.681 1.00 0.00 N ATOM 748 CA GLY A 45 -8.887 13.382 -16.249 1.00 0.00 C ATOM 749 C GLY A 45 -7.617 14.179 -15.946 1.00 0.00 C ATOM 750 O GLY A 45 -7.688 15.304 -15.453 1.00 0.00 O ATOM 0 H GLY A 45 -8.493 13.856 -18.252 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.744 13.865 -15.779 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.806 12.385 -15.816 1.00 0.00 H new ATOM 754 N GLY A 46 -6.484 13.567 -16.257 1.00 0.00 N ATOM 755 CA GLY A 46 -5.200 14.205 -16.026 1.00 0.00 C ATOM 756 C GLY A 46 -4.074 13.170 -15.966 1.00 0.00 C ATOM 757 O GLY A 46 -4.320 11.997 -15.689 1.00 0.00 O ATOM 0 H GLY A 46 -6.429 12.635 -16.668 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.998 14.921 -16.822 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.232 14.767 -15.092 1.00 0.00 H new ATOM 761 N GLU A 47 -2.865 13.642 -16.229 1.00 0.00 N ATOM 762 CA GLU A 47 -1.702 12.771 -16.210 1.00 0.00 C ATOM 763 C GLU A 47 -1.761 11.834 -15.003 1.00 0.00 C ATOM 764 O GLU A 47 -1.497 10.639 -15.127 1.00 0.00 O ATOM 765 CB GLU A 47 -0.407 13.587 -16.207 1.00 0.00 C ATOM 766 CG GLU A 47 -0.240 14.356 -17.520 1.00 0.00 C ATOM 767 CD GLU A 47 -0.790 15.779 -17.394 1.00 0.00 C ATOM 768 OE1 GLU A 47 -0.066 16.617 -16.815 1.00 0.00 O ATOM 769 OE2 GLU A 47 -1.921 15.996 -17.879 1.00 0.00 O ATOM 0 H GLU A 47 -2.665 14.616 -16.456 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.710 12.166 -17.116 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.415 14.286 -15.371 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.445 12.923 -16.059 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.815 14.392 -17.793 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.759 13.831 -18.322 1.00 0.00 H new ATOM 776 N GLU A 48 -2.110 12.410 -13.863 1.00 0.00 N ATOM 777 CA GLU A 48 -2.208 11.641 -12.634 1.00 0.00 C ATOM 778 C GLU A 48 -2.949 10.326 -12.888 1.00 0.00 C ATOM 779 O GLU A 48 -2.447 9.252 -12.559 1.00 0.00 O ATOM 780 CB GLU A 48 -2.893 12.451 -11.532 1.00 0.00 C ATOM 781 CG GLU A 48 -1.987 12.584 -10.306 1.00 0.00 C ATOM 782 CD GLU A 48 -2.685 13.367 -9.191 1.00 0.00 C ATOM 783 OE1 GLU A 48 -3.612 12.787 -8.586 1.00 0.00 O ATOM 784 OE2 GLU A 48 -2.276 14.527 -8.971 1.00 0.00 O ATOM 0 H GLU A 48 -2.329 13.401 -13.764 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.199 11.408 -12.294 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.149 13.441 -11.909 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.827 11.967 -11.247 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.713 11.594 -9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.062 13.089 -10.586 1.00 0.00 H new ATOM 791 N VAL A 49 -4.131 10.453 -13.473 1.00 0.00 N ATOM 792 CA VAL A 49 -4.945 9.289 -13.776 1.00 0.00 C ATOM 793 C VAL A 49 -4.038 8.131 -14.194 1.00 0.00 C ATOM 794 O VAL A 49 -4.363 6.967 -13.965 1.00 0.00 O ATOM 795 CB VAL A 49 -5.990 9.643 -14.837 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.350 9.749 -16.222 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.136 8.628 -14.838 1.00 0.00 C ATOM 0 H VAL A 49 -4.544 11.345 -13.745 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.495 8.967 -12.891 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.407 10.618 -14.585 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.114 10.001 -16.957 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.586 10.526 -16.211 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.893 8.795 -16.486 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.865 8.903 -15.601 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.742 7.635 -15.053 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.618 8.623 -13.861 1.00 0.00 H new ATOM 807 N LEU A 50 -2.916 8.490 -14.800 1.00 0.00 N ATOM 808 CA LEU A 50 -1.958 7.495 -15.252 1.00 0.00 C ATOM 809 C LEU A 50 -0.726 7.528 -14.343 1.00 0.00 C ATOM 810 O LEU A 50 -0.165 6.485 -14.013 1.00 0.00 O ATOM 811 CB LEU A 50 -1.634 7.696 -16.733 1.00 0.00 C ATOM 812 CG LEU A 50 -2.828 7.678 -17.690 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.968 9.017 -18.419 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.734 6.503 -18.662 1.00 0.00 C ATOM 0 H LEU A 50 -2.649 9.456 -14.989 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.384 6.495 -15.176 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.118 8.650 -16.845 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.936 6.918 -17.040 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.735 7.536 -17.102 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.824 8.977 -19.093 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.117 9.814 -17.691 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.063 9.215 -18.994 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.595 6.514 -19.331 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.819 6.588 -19.248 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.721 5.568 -18.102 1.00 0.00 H new ATOM 826 N ARG A 51 -0.344 8.739 -13.965 1.00 0.00 N ATOM 827 CA ARG A 51 0.811 8.922 -13.101 1.00 0.00 C ATOM 828 C ARG A 51 0.550 8.300 -11.728 1.00 0.00 C ATOM 829 O ARG A 51 1.404 7.597 -11.188 1.00 0.00 O ATOM 830 CB ARG A 51 1.138 10.407 -12.927 1.00 0.00 C ATOM 831 CG ARG A 51 2.649 10.644 -12.969 1.00 0.00 C ATOM 832 CD ARG A 51 3.128 11.354 -11.700 1.00 0.00 C ATOM 833 NE ARG A 51 2.693 12.769 -11.718 1.00 0.00 N ATOM 834 CZ ARG A 51 2.609 13.543 -10.626 1.00 0.00 C ATOM 835 NH1 ARG A 51 2.930 13.044 -9.426 1.00 0.00 N ATOM 836 NH2 ARG A 51 2.205 14.816 -10.737 1.00 0.00 N ATOM 0 H ARG A 51 -0.813 9.602 -14.240 1.00 0.00 H new ATOM 0 HA ARG A 51 1.660 8.427 -13.572 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.654 10.984 -13.714 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.737 10.763 -11.978 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.167 9.691 -13.075 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.903 11.243 -13.843 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.727 10.853 -10.819 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.214 11.300 -11.631 1.00 0.00 H new ATOM 0 HE ARG A 51 2.442 13.181 -12.617 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.238 12.075 -9.342 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.866 13.632 -8.595 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.962 15.196 -11.652 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.141 15.405 -9.907 1.00 0.00 H new ATOM 850 N GLU A 52 -0.632 8.580 -11.201 1.00 0.00 N ATOM 851 CA GLU A 52 -1.017 8.057 -9.901 1.00 0.00 C ATOM 852 C GLU A 52 -0.972 6.526 -9.911 1.00 0.00 C ATOM 853 O GLU A 52 -0.810 5.900 -8.865 1.00 0.00 O ATOM 854 CB GLU A 52 -2.402 8.562 -9.494 1.00 0.00 C ATOM 855 CG GLU A 52 -2.323 9.411 -8.224 1.00 0.00 C ATOM 856 CD GLU A 52 -2.323 8.530 -6.973 1.00 0.00 C ATOM 857 OE1 GLU A 52 -1.873 7.371 -7.097 1.00 0.00 O ATOM 858 OE2 GLU A 52 -2.771 9.036 -5.922 1.00 0.00 O ATOM 0 H GLU A 52 -1.337 9.163 -11.651 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.304 8.418 -9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.831 9.152 -10.304 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.068 7.715 -9.329 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.419 10.019 -8.245 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.168 10.098 -8.189 1.00 0.00 H new ATOM 865 N GLN A 53 -1.120 5.970 -11.105 1.00 0.00 N ATOM 866 CA GLN A 53 -1.097 4.527 -11.265 1.00 0.00 C ATOM 867 C GLN A 53 0.312 4.052 -11.627 1.00 0.00 C ATOM 868 O GLN A 53 0.678 2.912 -11.349 1.00 0.00 O ATOM 869 CB GLN A 53 -2.115 4.075 -12.315 1.00 0.00 C ATOM 870 CG GLN A 53 -1.778 4.658 -13.688 1.00 0.00 C ATOM 871 CD GLN A 53 -2.699 4.084 -14.769 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.445 3.041 -15.347 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.779 4.823 -15.007 1.00 0.00 N ATOM 0 H GLN A 53 -1.256 6.493 -11.970 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.378 4.073 -10.315 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.127 2.986 -12.371 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.115 4.390 -12.017 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.876 5.743 -13.660 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.740 4.438 -13.936 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.931 5.687 -14.486 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.455 4.526 -15.710 1.00 0.00 H new ATOM 882 N ALA A 54 1.064 4.953 -12.242 1.00 0.00 N ATOM 883 CA ALA A 54 2.425 4.643 -12.646 1.00 0.00 C ATOM 884 C ALA A 54 3.245 4.264 -11.411 1.00 0.00 C ATOM 885 O ALA A 54 3.293 5.017 -10.438 1.00 0.00 O ATOM 886 CB ALA A 54 3.020 5.835 -13.397 1.00 0.00 C ATOM 0 H ALA A 54 0.756 5.898 -12.470 1.00 0.00 H new ATOM 0 HA ALA A 54 2.438 3.791 -13.325 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.041 5.602 -13.700 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.418 6.045 -14.281 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.025 6.709 -12.746 1.00 0.00 H new ATOM 892 N GLY A 55 3.867 3.097 -11.488 1.00 0.00 N ATOM 893 CA GLY A 55 4.683 2.610 -10.389 1.00 0.00 C ATOM 894 C GLY A 55 4.194 1.242 -9.907 1.00 0.00 C ATOM 895 O GLY A 55 4.577 0.786 -8.832 1.00 0.00 O ATOM 0 H GLY A 55 3.822 2.474 -12.295 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.723 2.537 -10.708 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.652 3.322 -9.565 1.00 0.00 H new ATOM 899 N GLY A 56 3.354 0.628 -10.727 1.00 0.00 N ATOM 900 CA GLY A 56 2.807 -0.677 -10.399 1.00 0.00 C ATOM 901 C GLY A 56 1.750 -1.103 -11.421 1.00 0.00 C ATOM 902 O GLY A 56 1.494 -0.388 -12.388 1.00 0.00 O ATOM 0 H GLY A 56 3.039 1.011 -11.618 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.609 -1.415 -10.371 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.365 -0.650 -9.403 1.00 0.00 H new ATOM 906 N ASP A 57 1.164 -2.265 -11.170 1.00 0.00 N ATOM 907 CA ASP A 57 0.142 -2.794 -12.057 1.00 0.00 C ATOM 908 C ASP A 57 -1.172 -2.047 -11.816 1.00 0.00 C ATOM 909 O ASP A 57 -1.752 -2.136 -10.733 1.00 0.00 O ATOM 910 CB ASP A 57 -0.104 -4.279 -11.789 1.00 0.00 C ATOM 911 CG ASP A 57 -1.515 -4.772 -12.120 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.458 -4.265 -11.475 1.00 0.00 O ATOM 913 OD2 ASP A 57 -1.617 -5.643 -13.009 1.00 0.00 O ATOM 0 H ASP A 57 1.378 -2.854 -10.365 1.00 0.00 H new ATOM 0 HA ASP A 57 0.486 -2.664 -13.083 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.613 -4.861 -12.368 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.098 -4.481 -10.737 1.00 0.00 H new ATOM 918 N ALA A 58 -1.602 -1.326 -12.840 1.00 0.00 N ATOM 919 CA ALA A 58 -2.837 -0.564 -12.753 1.00 0.00 C ATOM 920 C ALA A 58 -4.012 -1.456 -13.158 1.00 0.00 C ATOM 921 O ALA A 58 -5.169 -1.054 -13.047 1.00 0.00 O ATOM 922 CB ALA A 58 -2.727 0.687 -13.628 1.00 0.00 C ATOM 0 H ALA A 58 -1.118 -1.253 -13.735 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.012 -0.233 -11.729 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.653 1.259 -13.563 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.896 1.301 -13.282 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.554 0.393 -14.663 1.00 0.00 H new ATOM 928 N THR A 59 -3.674 -2.652 -13.616 1.00 0.00 N ATOM 929 CA THR A 59 -4.688 -3.606 -14.039 1.00 0.00 C ATOM 930 C THR A 59 -5.903 -3.535 -13.114 1.00 0.00 C ATOM 931 O THR A 59 -6.911 -2.916 -13.454 1.00 0.00 O ATOM 932 CB THR A 59 -4.041 -4.991 -14.086 1.00 0.00 C ATOM 933 OG1 THR A 59 -2.852 -4.794 -14.846 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.853 -5.987 -14.917 1.00 0.00 C ATOM 0 H THR A 59 -2.713 -2.983 -13.704 1.00 0.00 H new ATOM 0 HA THR A 59 -5.062 -3.372 -15.035 1.00 0.00 H new ATOM 0 HB THR A 59 -3.925 -5.372 -13.071 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.171 -5.438 -14.560 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.351 -6.954 -14.918 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.848 -6.095 -14.485 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.940 -5.622 -15.940 1.00 0.00 H new ATOM 942 N GLU A 60 -5.771 -4.175 -11.962 1.00 0.00 N ATOM 943 CA GLU A 60 -6.846 -4.192 -10.986 1.00 0.00 C ATOM 944 C GLU A 60 -7.592 -2.856 -10.996 1.00 0.00 C ATOM 945 O GLU A 60 -8.793 -2.809 -10.732 1.00 0.00 O ATOM 946 CB GLU A 60 -6.314 -4.512 -9.588 1.00 0.00 C ATOM 947 CG GLU A 60 -5.018 -3.749 -9.308 1.00 0.00 C ATOM 948 CD GLU A 60 -5.181 -2.814 -8.108 1.00 0.00 C ATOM 949 OE1 GLU A 60 -6.324 -2.357 -7.896 1.00 0.00 O ATOM 950 OE2 GLU A 60 -4.159 -2.578 -7.428 1.00 0.00 O ATOM 0 H GLU A 60 -4.934 -4.687 -11.682 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.547 -4.980 -11.261 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.063 -4.250 -8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.136 -5.584 -9.499 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.210 -4.455 -9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.734 -3.171 -10.188 1.00 0.00 H new ATOM 957 N ASN A 61 -6.849 -1.801 -11.300 1.00 0.00 N ATOM 958 CA ASN A 61 -7.427 -0.469 -11.347 1.00 0.00 C ATOM 959 C ASN A 61 -8.249 -0.318 -12.628 1.00 0.00 C ATOM 960 O ASN A 61 -9.447 -0.042 -12.572 1.00 0.00 O ATOM 961 CB ASN A 61 -6.334 0.602 -11.359 1.00 0.00 C ATOM 962 CG ASN A 61 -6.822 1.888 -10.689 1.00 0.00 C ATOM 963 OD1 ASN A 61 -7.918 2.405 -11.240 1.00 0.00 O flip ATOM 964 ND2 ASN A 61 -6.242 2.382 -9.734 1.00 0.00 N flip ATOM 0 H ASN A 61 -5.853 -1.842 -11.516 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.052 -0.340 -10.463 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.450 0.231 -10.841 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.037 0.813 -12.386 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -5.405 1.935 -9.359 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.594 3.241 -9.312 1.00 0.00 H new ATOM 971 N PHE A 62 -7.576 -0.509 -13.753 1.00 0.00 N ATOM 972 CA PHE A 62 -8.229 -0.397 -15.045 1.00 0.00 C ATOM 973 C PHE A 62 -9.417 -1.358 -15.143 1.00 0.00 C ATOM 974 O PHE A 62 -10.251 -1.230 -16.038 1.00 0.00 O ATOM 975 CB PHE A 62 -7.193 -0.775 -16.105 1.00 0.00 C ATOM 976 CG PHE A 62 -7.595 -1.973 -16.968 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.397 -3.238 -16.509 1.00 0.00 C ATOM 978 CD2 PHE A 62 -8.149 -1.773 -18.193 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.771 -4.350 -17.310 1.00 0.00 C ATOM 980 CE2 PHE A 62 -8.522 -2.884 -18.995 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.325 -4.151 -18.536 1.00 0.00 C ATOM 0 H PHE A 62 -6.584 -0.741 -13.796 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.603 0.617 -15.187 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.020 0.085 -16.753 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.247 -0.997 -15.611 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.956 -3.397 -15.536 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.306 -0.768 -18.557 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.615 -5.354 -16.945 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.962 -2.724 -19.968 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.608 -4.997 -19.145 1.00 0.00 H new ATOM 991 N GLU A 63 -9.454 -2.298 -14.210 1.00 0.00 N ATOM 992 CA GLU A 63 -10.525 -3.279 -14.180 1.00 0.00 C ATOM 993 C GLU A 63 -11.744 -2.713 -13.450 1.00 0.00 C ATOM 994 O GLU A 63 -12.877 -3.097 -13.736 1.00 0.00 O ATOM 995 CB GLU A 63 -10.055 -4.583 -13.533 1.00 0.00 C ATOM 996 CG GLU A 63 -9.722 -5.634 -14.594 1.00 0.00 C ATOM 997 CD GLU A 63 -10.293 -7.001 -14.212 1.00 0.00 C ATOM 998 OE1 GLU A 63 -10.071 -7.403 -13.049 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.940 -7.612 -15.090 1.00 0.00 O ATOM 0 H GLU A 63 -8.760 -2.401 -13.470 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.814 -3.504 -15.207 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.176 -4.391 -12.918 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.831 -4.964 -12.870 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.126 -5.324 -15.557 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.641 -5.708 -14.711 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.471 -1.809 -12.522 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.532 -1.186 -11.749 1.00 0.00 C ATOM 1008 C ASP A 64 -13.182 -0.081 -12.582 1.00 0.00 C ATOM 1009 O ASP A 64 -14.407 0.042 -12.610 1.00 0.00 O ATOM 1010 CB ASP A 64 -11.981 -0.550 -10.469 1.00 0.00 C ATOM 1011 CG ASP A 64 -12.821 -0.793 -9.214 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.694 -1.685 -9.279 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -12.571 -0.081 -8.218 1.00 0.00 O ATOM 0 H ASP A 64 -10.530 -1.493 -12.287 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.255 -1.958 -11.486 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.975 -0.933 -10.295 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.890 0.525 -10.625 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.336 0.696 -13.242 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.814 1.787 -14.074 1.00 0.00 C ATOM 1020 C VAL A 65 -13.427 1.215 -15.354 1.00 0.00 C ATOM 1021 O VAL A 65 -13.951 1.958 -16.182 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.678 2.775 -14.346 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.322 2.065 -14.343 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.903 3.523 -15.662 1.00 0.00 C ATOM 0 H VAL A 65 -11.322 0.592 -13.217 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.596 2.345 -13.559 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.674 3.510 -13.541 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.532 2.790 -14.539 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.156 1.601 -13.371 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.311 1.298 -15.118 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.081 4.218 -15.830 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.948 2.808 -16.484 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.841 4.076 -15.611 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.340 -0.101 -15.477 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.880 -0.781 -16.642 1.00 0.00 C ATOM 1036 C GLY A 66 -13.592 0.008 -17.920 1.00 0.00 C ATOM 1037 O GLY A 66 -14.510 0.525 -18.554 1.00 0.00 O ATOM 0 H GLY A 66 -12.904 -0.715 -14.789 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.445 -1.777 -16.720 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.956 -0.911 -16.525 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.314 0.078 -18.260 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.893 0.797 -19.451 1.00 0.00 C ATOM 1043 C HIS A 67 -12.604 0.220 -20.676 1.00 0.00 C ATOM 1044 O HIS A 67 -13.397 -0.714 -20.555 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.368 0.779 -19.587 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.658 1.725 -18.650 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.028 1.303 -17.492 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.483 3.076 -18.712 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.501 2.361 -16.893 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.786 3.460 -17.650 1.00 0.00 N ATOM 0 H HIS A 67 -11.555 -0.352 -17.731 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.179 1.845 -19.367 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.009 -0.234 -19.405 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.102 1.032 -20.613 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -8.978 0.341 -17.157 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.850 3.724 -19.494 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.944 2.355 -15.968 1.00 0.00 H new ATOM 1059 N SER A 68 -12.295 0.798 -21.827 1.00 0.00 N ATOM 1060 CA SER A 68 -12.895 0.353 -23.074 1.00 0.00 C ATOM 1061 C SER A 68 -11.868 -0.424 -23.900 1.00 0.00 C ATOM 1062 O SER A 68 -10.675 -0.129 -23.850 1.00 0.00 O ATOM 1063 CB SER A 68 -13.438 1.536 -23.877 1.00 0.00 C ATOM 1064 OG SER A 68 -12.441 2.114 -24.716 1.00 0.00 O ATOM 0 H SER A 68 -11.637 1.571 -21.923 1.00 0.00 H new ATOM 0 HA SER A 68 -13.732 -0.303 -22.836 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.278 1.205 -24.487 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.820 2.294 -23.193 1.00 0.00 H new ATOM 0 HG SER A 68 -12.125 2.952 -24.319 1.00 0.00 H new ATOM 1070 N THR A 69 -12.371 -1.400 -24.642 1.00 0.00 N ATOM 1071 CA THR A 69 -11.512 -2.222 -25.478 1.00 0.00 C ATOM 1072 C THR A 69 -10.603 -1.340 -26.338 1.00 0.00 C ATOM 1073 O THR A 69 -9.545 -1.781 -26.784 1.00 0.00 O ATOM 1074 CB THR A 69 -12.404 -3.157 -26.298 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.695 -4.229 -25.406 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.650 -3.824 -27.449 1.00 0.00 C ATOM 0 H THR A 69 -13.362 -1.640 -24.682 1.00 0.00 H new ATOM 0 HA THR A 69 -10.842 -2.835 -24.875 1.00 0.00 H new ATOM 0 HB THR A 69 -13.250 -2.596 -26.695 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.271 -4.882 -25.856 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.328 -4.477 -27.999 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.259 -3.059 -28.120 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.824 -4.413 -27.050 1.00 0.00 H new ATOM 1084 N ASP A 70 -11.049 -0.109 -26.542 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.290 0.838 -27.340 1.00 0.00 C ATOM 1086 C ASP A 70 -9.119 1.372 -26.512 1.00 0.00 C ATOM 1087 O ASP A 70 -7.990 1.441 -26.999 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.156 2.027 -27.757 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.496 3.000 -28.737 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.938 2.502 -29.739 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.562 4.217 -28.460 1.00 0.00 O ATOM 0 H ASP A 70 -11.926 0.254 -26.168 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.937 0.320 -28.232 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.073 1.648 -28.208 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.445 2.578 -26.862 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.427 1.737 -25.277 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.415 2.263 -24.378 1.00 0.00 C ATOM 1098 C ALA A 71 -7.294 1.235 -24.220 1.00 0.00 C ATOM 1099 O ALA A 71 -6.115 1.585 -24.257 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.061 2.629 -23.039 1.00 0.00 C ATOM 0 H ALA A 71 -10.364 1.679 -24.877 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.974 3.172 -24.788 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.301 3.024 -22.364 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.830 3.384 -23.201 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.512 1.740 -22.597 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.700 -0.015 -24.050 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.744 -1.096 -23.888 1.00 0.00 C ATOM 1108 C ARG A 72 -5.922 -1.276 -25.167 1.00 0.00 C ATOM 1109 O ARG A 72 -4.706 -1.440 -25.109 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.452 -2.413 -23.557 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.497 -2.212 -22.458 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.268 -3.506 -22.190 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.594 -3.194 -21.613 1.00 0.00 N ATOM 1114 CZ ARG A 72 -11.442 -4.116 -21.136 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -11.106 -5.413 -21.167 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -12.624 -3.742 -20.630 1.00 0.00 N ATOM 0 H ARG A 72 -8.678 -0.303 -24.021 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.084 -0.832 -23.062 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.932 -2.807 -24.453 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.719 -3.153 -23.236 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.008 -1.880 -21.542 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.192 -1.425 -22.751 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.388 -4.066 -23.117 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.704 -4.140 -21.506 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.881 -2.216 -21.576 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.206 -5.698 -21.553 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.750 -6.116 -20.804 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.880 -2.755 -20.607 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.269 -4.444 -20.267 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.622 -1.238 -26.291 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.972 -1.394 -27.582 1.00 0.00 C ATOM 1132 C GLU A 73 -4.991 -0.246 -27.824 1.00 0.00 C ATOM 1133 O GLU A 73 -3.905 -0.455 -28.365 1.00 0.00 O ATOM 1134 CB GLU A 73 -7.004 -1.478 -28.708 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.878 -2.800 -29.469 1.00 0.00 C ATOM 1136 CD GLU A 73 -7.911 -2.886 -30.595 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -7.653 -2.266 -31.649 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -8.935 -3.569 -30.375 1.00 0.00 O ATOM 0 H GLU A 73 -7.632 -1.102 -26.335 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.413 -2.329 -27.575 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.008 -1.387 -28.294 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.866 -0.644 -29.396 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.874 -2.890 -29.884 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.015 -3.634 -28.781 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.406 0.944 -27.411 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.577 2.125 -27.578 1.00 0.00 C ATOM 1147 C LEU A 74 -3.280 1.947 -26.788 1.00 0.00 C ATOM 1148 O LEU A 74 -2.199 2.260 -27.284 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.358 3.385 -27.199 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.950 4.060 -25.888 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.857 5.105 -26.126 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -6.165 4.654 -25.175 1.00 0.00 C ATOM 0 H LEU A 74 -6.306 1.114 -26.961 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.300 2.251 -28.625 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.252 4.110 -28.006 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.416 3.128 -27.138 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.531 3.300 -25.229 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.585 5.570 -25.178 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.980 4.623 -26.558 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.226 5.868 -26.811 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.846 5.127 -24.246 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.637 5.397 -25.818 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.879 3.861 -24.952 1.00 0.00 H new ATOM 1164 N SER A 75 -3.429 1.443 -25.571 1.00 0.00 N ATOM 1165 CA SER A 75 -2.281 1.218 -24.708 1.00 0.00 C ATOM 1166 C SER A 75 -1.285 0.282 -25.394 1.00 0.00 C ATOM 1167 O SER A 75 -0.098 0.288 -25.070 1.00 0.00 O ATOM 1168 CB SER A 75 -2.711 0.638 -23.360 1.00 0.00 C ATOM 1169 OG SER A 75 -4.078 0.232 -23.364 1.00 0.00 O ATOM 0 H SER A 75 -4.327 1.184 -25.162 1.00 0.00 H new ATOM 0 HA SER A 75 -1.799 2.178 -24.524 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.080 -0.216 -23.115 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.556 1.383 -22.579 1.00 0.00 H new ATOM 0 HG SER A 75 -4.142 -0.699 -23.663 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.804 -0.500 -26.330 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.974 -1.438 -27.065 1.00 0.00 C ATOM 1177 C LYS A 76 0.060 -0.665 -27.887 1.00 0.00 C ATOM 1178 O LYS A 76 1.052 -1.236 -28.337 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.843 -2.381 -27.901 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.428 -3.838 -27.694 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.612 -4.783 -27.912 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.264 -5.874 -28.926 1.00 0.00 C ATOM 1183 NZ LYS A 76 -3.232 -6.990 -28.839 1.00 0.00 N ATOM 0 H LYS A 76 -2.789 -0.503 -26.596 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.421 -2.076 -26.376 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.890 -2.255 -27.626 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.757 -2.121 -28.956 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.624 -4.092 -28.384 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.035 -3.968 -26.685 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.896 -5.240 -26.964 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.474 -4.216 -28.264 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.270 -5.458 -29.933 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.256 -6.244 -28.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.981 -7.722 -29.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.207 -7.398 -27.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.189 -6.636 -29.039 1.00 0.00 H new ATOM 1197 N THR A 77 -0.208 0.620 -28.054 1.00 0.00 N ATOM 1198 CA THR A 77 0.688 1.478 -28.813 1.00 0.00 C ATOM 1199 C THR A 77 1.740 2.099 -27.892 1.00 0.00 C ATOM 1200 O THR A 77 2.760 2.602 -28.360 1.00 0.00 O ATOM 1201 CB THR A 77 -0.163 2.515 -29.549 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.612 2.846 -30.699 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.272 3.835 -28.782 1.00 0.00 C ATOM 0 H THR A 77 -1.032 1.089 -27.678 1.00 0.00 H new ATOM 0 HA THR A 77 1.247 0.908 -29.555 1.00 0.00 H new ATOM 0 HB THR A 77 -1.161 2.111 -29.719 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.134 3.513 -31.235 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.886 4.535 -29.348 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.731 3.654 -27.810 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.723 4.257 -28.641 1.00 0.00 H new ATOM 1211 N PHE A 78 1.455 2.041 -26.600 1.00 0.00 N ATOM 1212 CA PHE A 78 2.365 2.592 -25.608 1.00 0.00 C ATOM 1213 C PHE A 78 3.128 1.478 -24.887 1.00 0.00 C ATOM 1214 O PHE A 78 4.071 1.748 -24.143 1.00 0.00 O ATOM 1215 CB PHE A 78 1.511 3.350 -24.590 1.00 0.00 C ATOM 1216 CG PHE A 78 0.798 4.574 -25.165 1.00 0.00 C ATOM 1217 CD1 PHE A 78 -0.256 4.413 -26.011 1.00 0.00 C ATOM 1218 CD2 PHE A 78 1.218 5.825 -24.833 1.00 0.00 C ATOM 1219 CE1 PHE A 78 -0.917 5.550 -26.545 1.00 0.00 C ATOM 1220 CE2 PHE A 78 0.555 6.962 -25.368 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.499 6.800 -26.212 1.00 0.00 C ATOM 0 H PHE A 78 0.608 1.622 -26.216 1.00 0.00 H new ATOM 0 HA PHE A 78 3.094 3.242 -26.092 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.767 2.669 -24.177 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.146 3.667 -23.763 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.589 3.420 -26.276 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.055 5.954 -24.163 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.753 5.422 -27.217 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.888 7.955 -25.104 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.004 7.664 -26.618 1.00 0.00 H new ATOM 1231 N ILE A 79 2.693 0.251 -25.133 1.00 0.00 N ATOM 1232 CA ILE A 79 3.324 -0.904 -24.516 1.00 0.00 C ATOM 1233 C ILE A 79 4.826 -0.873 -24.805 1.00 0.00 C ATOM 1234 O ILE A 79 5.238 -0.833 -25.963 1.00 0.00 O ATOM 1235 CB ILE A 79 2.636 -2.194 -24.967 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.454 -2.531 -24.057 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.638 -3.347 -25.056 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.187 -4.038 -24.040 1.00 0.00 C ATOM 0 H ILE A 79 1.912 0.031 -25.751 1.00 0.00 H new ATOM 0 HA ILE A 79 3.207 -0.870 -23.433 1.00 0.00 H new ATOM 0 HB ILE A 79 2.237 -2.037 -25.969 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.659 -2.183 -23.045 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.564 -2.004 -24.401 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.123 -4.252 -25.379 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.418 -3.097 -25.775 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.088 -3.515 -24.077 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.342 -4.250 -23.385 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.958 -4.378 -25.050 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.071 -4.560 -23.673 1.00 0.00 H new ATOM 1250 N ILE A 80 5.603 -0.895 -23.733 1.00 0.00 N ATOM 1251 CA ILE A 80 7.051 -0.871 -23.858 1.00 0.00 C ATOM 1252 C ILE A 80 7.609 -2.259 -23.535 1.00 0.00 C ATOM 1253 O ILE A 80 8.648 -2.652 -24.063 1.00 0.00 O ATOM 1254 CB ILE A 80 7.645 0.246 -22.996 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.757 0.534 -21.784 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.902 1.502 -23.830 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.493 1.398 -20.758 1.00 0.00 C ATOM 0 H ILE A 80 5.258 -0.929 -22.774 1.00 0.00 H new ATOM 0 HA ILE A 80 7.341 -0.640 -24.883 1.00 0.00 H new ATOM 0 HB ILE A 80 8.609 -0.091 -22.615 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.848 1.042 -22.107 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.451 -0.404 -21.322 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.324 2.281 -23.195 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.602 1.269 -24.632 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.963 1.853 -24.259 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.839 1.588 -19.907 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.388 0.877 -20.419 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.776 2.345 -21.216 1.00 0.00 H new ATOM 1269 N GLY A 81 6.895 -2.962 -22.668 1.00 0.00 N ATOM 1270 CA GLY A 81 7.306 -4.297 -22.268 1.00 0.00 C ATOM 1271 C GLY A 81 6.174 -5.025 -21.540 1.00 0.00 C ATOM 1272 O GLY A 81 5.000 -4.775 -21.808 1.00 0.00 O ATOM 0 H GLY A 81 6.034 -2.632 -22.231 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.604 -4.868 -23.147 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.179 -4.233 -21.618 1.00 0.00 H new ATOM 1276 N GLU A 82 6.567 -5.910 -20.636 1.00 0.00 N ATOM 1277 CA GLU A 82 5.599 -6.675 -19.867 1.00 0.00 C ATOM 1278 C GLU A 82 6.191 -7.070 -18.513 1.00 0.00 C ATOM 1279 O GLU A 82 7.404 -7.015 -18.322 1.00 0.00 O ATOM 1280 CB GLU A 82 5.135 -7.908 -20.645 1.00 0.00 C ATOM 1281 CG GLU A 82 5.312 -7.705 -22.152 1.00 0.00 C ATOM 1282 CD GLU A 82 4.873 -8.949 -22.927 1.00 0.00 C ATOM 1283 OE1 GLU A 82 3.955 -9.635 -22.429 1.00 0.00 O ATOM 1284 OE2 GLU A 82 5.467 -9.187 -24.002 1.00 0.00 O ATOM 0 H GLU A 82 7.542 -6.115 -20.418 1.00 0.00 H new ATOM 0 HA GLU A 82 4.725 -6.048 -19.690 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.703 -8.781 -20.323 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.087 -8.110 -20.422 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.728 -6.844 -22.478 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.356 -7.484 -22.373 1.00 0.00 H new ATOM 1291 N LEU A 83 5.306 -7.462 -17.608 1.00 0.00 N ATOM 1292 CA LEU A 83 5.724 -7.868 -16.278 1.00 0.00 C ATOM 1293 C LEU A 83 6.363 -9.255 -16.350 1.00 0.00 C ATOM 1294 O LEU A 83 5.756 -10.196 -16.859 1.00 0.00 O ATOM 1295 CB LEU A 83 4.553 -7.778 -15.298 1.00 0.00 C ATOM 1296 CG LEU A 83 4.924 -7.707 -13.815 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.366 -8.165 -13.587 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.673 -6.305 -13.254 1.00 0.00 C ATOM 0 H LEU A 83 4.300 -7.507 -17.771 1.00 0.00 H new ATOM 0 HA LEU A 83 6.484 -7.188 -15.893 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.963 -6.896 -15.547 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.910 -8.645 -15.450 1.00 0.00 H new ATOM 0 HG LEU A 83 4.278 -8.394 -13.268 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.603 -8.105 -12.525 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.479 -9.195 -13.926 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.045 -7.522 -14.148 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.945 -6.281 -12.199 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.277 -5.581 -13.801 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.618 -6.053 -13.363 1.00 0.00 H new ATOM 1310 N HIS A 84 7.579 -9.339 -15.831 1.00 0.00 N ATOM 1311 CA HIS A 84 8.307 -10.597 -15.830 1.00 0.00 C ATOM 1312 C HIS A 84 7.701 -11.540 -14.788 1.00 0.00 C ATOM 1313 O HIS A 84 6.699 -11.210 -14.155 1.00 0.00 O ATOM 1314 CB HIS A 84 9.803 -10.360 -15.616 1.00 0.00 C ATOM 1315 CG HIS A 84 10.681 -10.981 -16.676 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.239 -11.234 -17.962 1.00 0.00 N ATOM 1317 CD2 HIS A 84 11.980 -11.397 -16.625 1.00 0.00 C ATOM 1318 CE1 HIS A 84 11.234 -11.777 -18.647 1.00 0.00 C ATOM 1319 NE2 HIS A 84 12.312 -11.879 -17.817 1.00 0.00 N ATOM 0 H HIS A 84 8.079 -8.557 -15.408 1.00 0.00 H new ATOM 0 HA HIS A 84 8.211 -11.077 -16.804 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.990 -9.287 -15.587 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.088 -10.759 -14.643 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.627 -11.343 -15.762 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.198 -12.085 -19.682 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.223 -12.262 -18.070 1.00 0.00 H new ATOM 1328 N PRO A 85 8.351 -12.724 -14.637 1.00 0.00 N ATOM 1329 CA PRO A 85 7.888 -13.717 -13.682 1.00 0.00 C ATOM 1330 C PRO A 85 8.235 -13.304 -12.251 1.00 0.00 C ATOM 1331 O PRO A 85 8.038 -14.076 -11.312 1.00 0.00 O ATOM 1332 CB PRO A 85 8.558 -15.013 -14.106 1.00 0.00 C ATOM 1333 CG PRO A 85 9.726 -14.610 -14.991 1.00 0.00 C ATOM 1334 CD PRO A 85 9.540 -13.150 -15.369 1.00 0.00 C ATOM 0 HA PRO A 85 6.804 -13.827 -13.682 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.902 -15.577 -13.239 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.861 -15.654 -14.647 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.670 -14.751 -14.465 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.762 -15.234 -15.884 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.410 -12.555 -15.091 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.405 -13.034 -16.444 1.00 0.00 H new ATOM 1342 N ASP A 86 8.746 -12.088 -12.126 1.00 0.00 N ATOM 1343 CA ASP A 86 9.123 -11.565 -10.825 1.00 0.00 C ATOM 1344 C ASP A 86 7.866 -11.112 -10.079 1.00 0.00 C ATOM 1345 O ASP A 86 7.862 -11.038 -8.851 1.00 0.00 O ATOM 1346 CB ASP A 86 10.050 -10.355 -10.965 1.00 0.00 C ATOM 1347 CG ASP A 86 9.835 -9.251 -9.927 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.402 -9.393 -8.824 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.107 -8.291 -10.262 1.00 0.00 O ATOM 0 H ASP A 86 8.908 -11.450 -12.905 1.00 0.00 H new ATOM 0 HA ASP A 86 9.640 -12.355 -10.281 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.083 -10.698 -10.900 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.918 -9.928 -11.959 1.00 0.00 H new ATOM 1354 N ASP A 87 6.830 -10.823 -10.852 1.00 0.00 N ATOM 1355 CA ASP A 87 5.569 -10.381 -10.279 1.00 0.00 C ATOM 1356 C ASP A 87 4.482 -10.424 -11.354 1.00 0.00 C ATOM 1357 O ASP A 87 3.724 -9.470 -11.515 1.00 0.00 O ATOM 1358 CB ASP A 87 5.672 -8.941 -9.768 1.00 0.00 C ATOM 1359 CG ASP A 87 6.247 -8.794 -8.359 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.467 -8.995 -7.404 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.454 -8.483 -8.268 1.00 0.00 O ATOM 0 H ASP A 87 6.837 -10.886 -11.870 1.00 0.00 H new ATOM 0 HA ASP A 87 5.325 -11.043 -9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.293 -8.370 -10.459 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.679 -8.493 -9.787 1.00 0.00 H new ATOM 1366 N ARG A 88 4.439 -11.544 -12.061 1.00 0.00 N ATOM 1367 CA ARG A 88 3.458 -11.726 -13.116 1.00 0.00 C ATOM 1368 C ARG A 88 2.113 -12.153 -12.522 1.00 0.00 C ATOM 1369 O ARG A 88 1.233 -11.320 -12.310 1.00 0.00 O ATOM 1370 CB ARG A 88 3.919 -12.783 -14.122 1.00 0.00 C ATOM 1371 CG ARG A 88 4.339 -12.134 -15.443 1.00 0.00 C ATOM 1372 CD ARG A 88 5.349 -13.010 -16.187 1.00 0.00 C ATOM 1373 NE ARG A 88 4.646 -13.897 -17.140 1.00 0.00 N ATOM 1374 CZ ARG A 88 4.144 -15.097 -16.821 1.00 0.00 C ATOM 1375 NH1 ARG A 88 4.263 -15.562 -15.570 1.00 0.00 N ATOM 1376 NH2 ARG A 88 3.521 -15.832 -17.752 1.00 0.00 N ATOM 0 H ARG A 88 5.068 -12.335 -11.923 1.00 0.00 H new ATOM 0 HA ARG A 88 3.347 -10.772 -13.632 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.755 -13.346 -13.707 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.114 -13.495 -14.302 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.461 -11.973 -16.069 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.776 -11.154 -15.249 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.063 -12.383 -16.721 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.919 -13.607 -15.475 1.00 0.00 H new ATOM 0 HE ARG A 88 4.537 -13.574 -18.101 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.736 -15.002 -14.861 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.881 -16.476 -15.327 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.429 -15.478 -18.704 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.139 -16.746 -17.509 1.00 0.00 H new ATOM 1390 N SER A 89 1.996 -13.448 -12.270 1.00 0.00 N ATOM 1391 CA SER A 89 0.774 -13.994 -11.705 1.00 0.00 C ATOM 1392 C SER A 89 0.502 -13.363 -10.338 1.00 0.00 C ATOM 1393 O SER A 89 -0.559 -13.574 -9.754 1.00 0.00 O ATOM 1394 CB SER A 89 0.857 -15.516 -11.581 1.00 0.00 C ATOM 1395 OG SER A 89 -0.417 -16.101 -11.326 1.00 0.00 O ATOM 0 H SER A 89 2.728 -14.136 -12.447 1.00 0.00 H new ATOM 0 HA SER A 89 -0.050 -13.756 -12.378 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.270 -15.933 -12.500 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.544 -15.777 -10.776 1.00 0.00 H new ATOM 0 HG SER A 89 -0.926 -15.524 -10.719 1.00 0.00 H new ATOM 1401 N LYS A 90 1.481 -12.602 -9.869 1.00 0.00 N ATOM 1402 CA LYS A 90 1.360 -11.939 -8.582 1.00 0.00 C ATOM 1403 C LYS A 90 0.577 -10.635 -8.755 1.00 0.00 C ATOM 1404 O LYS A 90 0.293 -9.943 -7.779 1.00 0.00 O ATOM 1405 CB LYS A 90 2.738 -11.748 -7.946 1.00 0.00 C ATOM 1406 CG LYS A 90 2.990 -12.796 -6.860 1.00 0.00 C ATOM 1407 CD LYS A 90 3.054 -12.146 -5.475 1.00 0.00 C ATOM 1408 CE LYS A 90 2.461 -13.069 -4.409 1.00 0.00 C ATOM 1409 NZ LYS A 90 1.819 -12.277 -3.337 1.00 0.00 N ATOM 0 H LYS A 90 2.360 -12.430 -10.357 1.00 0.00 H new ATOM 0 HA LYS A 90 0.796 -12.560 -7.886 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.510 -11.820 -8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.809 -10.749 -7.516 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.196 -13.543 -6.879 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.924 -13.319 -7.064 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.089 -11.914 -5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.510 -11.202 -5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.729 -13.737 -4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.245 -13.696 -3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.422 -12.919 -2.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.526 -11.658 -2.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.057 -11.697 -3.743 1.00 0.00 H new ATOM 1423 N ILE A 91 0.251 -10.341 -10.005 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.493 -9.133 -10.319 1.00 0.00 C ATOM 1425 C ILE A 91 -1.396 -9.394 -11.527 1.00 0.00 C ATOM 1426 O ILE A 91 -2.557 -8.989 -11.536 1.00 0.00 O ATOM 1427 CB ILE A 91 0.459 -7.951 -10.508 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.744 -7.708 -11.992 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.745 -8.148 -9.702 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.943 -6.774 -12.175 1.00 0.00 C ATOM 0 H ILE A 91 0.488 -10.918 -10.812 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.143 -8.860 -9.488 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.028 -7.055 -10.123 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.940 -8.658 -12.489 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.135 -7.274 -12.469 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.404 -7.293 -9.854 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.501 -8.234 -8.643 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.247 -9.057 -10.034 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.124 -6.618 -13.239 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.734 -5.816 -11.698 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.826 -7.222 -11.719 1.00 0.00 H new ATOM 1442 N THR A 92 -0.828 -10.069 -12.514 1.00 0.00 N ATOM 1443 CA THR A 92 -1.567 -10.390 -13.723 1.00 0.00 C ATOM 1444 C THR A 92 -3.042 -10.634 -13.398 1.00 0.00 C ATOM 1445 O THR A 92 -3.365 -11.226 -12.370 1.00 0.00 O ATOM 1446 CB THR A 92 -0.887 -11.587 -14.391 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.179 -11.426 -15.776 1.00 0.00 O ATOM 1448 CG2 THR A 92 -1.548 -12.916 -14.022 1.00 0.00 C ATOM 0 H THR A 92 0.136 -10.403 -12.502 1.00 0.00 H new ATOM 0 HA THR A 92 -1.554 -9.557 -14.426 1.00 0.00 H new ATOM 0 HB THR A 92 0.164 -11.613 -14.105 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.773 -12.160 -16.283 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.027 -13.733 -14.522 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.497 -13.060 -12.943 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.591 -12.904 -14.338 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.898 -10.164 -14.295 1.00 0.00 N ATOM 1457 CA LYS A 93 -5.331 -10.323 -14.116 1.00 0.00 C ATOM 1458 C LYS A 93 -5.620 -11.721 -13.564 1.00 0.00 C ATOM 1459 O LYS A 93 -5.562 -12.706 -14.299 1.00 0.00 O ATOM 1460 CB LYS A 93 -6.072 -10.010 -15.417 1.00 0.00 C ATOM 1461 CG LYS A 93 -7.569 -9.828 -15.166 1.00 0.00 C ATOM 1462 CD LYS A 93 -8.339 -11.110 -15.485 1.00 0.00 C ATOM 1463 CE LYS A 93 -9.770 -10.796 -15.923 1.00 0.00 C ATOM 1464 NZ LYS A 93 -10.039 -11.365 -17.263 1.00 0.00 N ATOM 0 H LYS A 93 -3.626 -9.673 -15.147 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.705 -9.607 -13.384 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.662 -9.104 -15.864 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.915 -10.818 -16.132 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.735 -9.549 -14.125 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.947 -9.010 -15.780 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.826 -11.660 -16.274 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.357 -11.755 -14.607 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -10.476 -11.204 -15.200 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.922 -9.717 -15.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -11.015 -11.143 -17.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.377 -10.956 -17.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -9.914 -12.397 -17.233 1.00 0.00 H new ATOM 1478 N PRO A 94 -5.933 -11.764 -12.242 1.00 0.00 N ATOM 1479 CA PRO A 94 -6.231 -13.025 -11.584 1.00 0.00 C ATOM 1480 C PRO A 94 -7.625 -13.527 -11.965 1.00 0.00 C ATOM 1481 O PRO A 94 -7.773 -14.636 -12.473 1.00 0.00 O ATOM 1482 CB PRO A 94 -6.089 -12.735 -10.098 1.00 0.00 C ATOM 1483 CG PRO A 94 -6.175 -11.225 -9.957 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.010 -10.618 -11.339 1.00 0.00 C ATOM 0 HA PRO A 94 -5.558 -13.827 -11.886 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -6.877 -13.226 -9.527 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.139 -13.109 -9.716 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.133 -10.936 -9.525 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.399 -10.860 -9.284 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.851 -9.972 -11.590 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.110 -10.007 -11.398 1.00 0.00 H new ATOM 1492 N SER A 95 -8.614 -12.684 -11.705 1.00 0.00 N ATOM 1493 CA SER A 95 -9.991 -13.027 -12.015 1.00 0.00 C ATOM 1494 C SER A 95 -10.924 -11.897 -11.577 1.00 0.00 C ATOM 1495 O SER A 95 -10.497 -10.961 -10.901 1.00 0.00 O ATOM 1496 CB SER A 95 -10.396 -14.340 -11.342 1.00 0.00 C ATOM 1497 OG SER A 95 -10.944 -15.270 -12.272 1.00 0.00 O ATOM 0 H SER A 95 -8.488 -11.764 -11.283 1.00 0.00 H new ATOM 0 HA SER A 95 -10.075 -13.161 -13.093 1.00 0.00 H new ATOM 0 HB2 SER A 95 -9.526 -14.782 -10.857 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.127 -14.136 -10.560 1.00 0.00 H new ATOM 0 HG SER A 95 -11.188 -16.095 -11.804 1.00 0.00 H new ATOM 1503 N GLU A 96 -12.180 -12.018 -11.980 1.00 0.00 N ATOM 1504 CA GLU A 96 -13.177 -11.018 -11.637 1.00 0.00 C ATOM 1505 C GLU A 96 -14.246 -11.624 -10.727 1.00 0.00 C ATOM 1506 O GLU A 96 -14.260 -12.834 -10.499 1.00 0.00 O ATOM 1507 CB GLU A 96 -13.804 -10.416 -12.895 1.00 0.00 C ATOM 1508 CG GLU A 96 -14.686 -11.440 -13.612 1.00 0.00 C ATOM 1509 CD GLU A 96 -15.439 -10.795 -14.779 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -14.800 -9.991 -15.490 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -16.636 -11.121 -14.930 1.00 0.00 O ATOM 0 H GLU A 96 -12.531 -12.794 -12.541 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.683 -10.211 -11.096 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -14.399 -9.543 -12.627 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.019 -10.072 -13.568 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.070 -12.260 -13.981 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -15.399 -11.868 -12.907 1.00 0.00 H new ATOM 1518 N SER A 97 -15.118 -10.758 -10.232 1.00 0.00 N ATOM 1519 CA SER A 97 -16.189 -11.194 -9.352 1.00 0.00 C ATOM 1520 C SER A 97 -17.514 -10.568 -9.790 1.00 0.00 C ATOM 1521 O SER A 97 -17.526 -9.574 -10.516 1.00 0.00 O ATOM 1522 CB SER A 97 -15.888 -10.833 -7.896 1.00 0.00 C ATOM 1523 OG SER A 97 -16.273 -11.869 -6.997 1.00 0.00 O ATOM 0 H SER A 97 -15.105 -9.756 -10.424 1.00 0.00 H new ATOM 0 HA SER A 97 -16.266 -12.279 -9.421 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.822 -10.635 -7.785 1.00 0.00 H new ATOM 0 HB3 SER A 97 -16.412 -9.914 -7.635 1.00 0.00 H new ATOM 0 HG SER A 97 -16.062 -11.600 -6.078 1.00 0.00 H new ATOM 1529 N ILE A 98 -18.600 -11.175 -9.333 1.00 0.00 N ATOM 1530 CA ILE A 98 -19.927 -10.689 -9.670 1.00 0.00 C ATOM 1531 C ILE A 98 -20.722 -10.458 -8.384 1.00 0.00 C ATOM 1532 O ILE A 98 -20.574 -11.201 -7.415 1.00 0.00 O ATOM 1533 CB ILE A 98 -20.613 -11.640 -10.653 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -19.878 -11.665 -11.995 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -22.093 -11.289 -10.816 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -19.487 -13.094 -12.380 1.00 0.00 C ATOM 0 H ILE A 98 -18.588 -11.999 -8.732 1.00 0.00 H new ATOM 0 HA ILE A 98 -19.862 -9.729 -10.183 1.00 0.00 H new ATOM 0 HB ILE A 98 -20.566 -12.648 -10.241 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -20.514 -11.237 -12.770 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -18.985 -11.043 -11.936 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -22.556 -11.981 -11.520 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -22.593 -11.365 -9.851 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -22.186 -10.271 -11.194 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -18.966 -13.083 -13.337 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -18.832 -13.510 -11.615 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -20.384 -13.707 -12.462 1.00 0.00 H new ATOM 1548 N ILE A 99 -21.548 -9.422 -8.415 1.00 0.00 N ATOM 1549 CA ILE A 99 -22.367 -9.083 -7.262 1.00 0.00 C ATOM 1550 C ILE A 99 -23.834 -9.370 -7.584 1.00 0.00 C ATOM 1551 O ILE A 99 -24.161 -9.787 -8.694 1.00 0.00 O ATOM 1552 CB ILE A 99 -22.103 -7.640 -6.826 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -22.465 -6.654 -7.939 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -20.658 -7.466 -6.352 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -22.718 -5.257 -7.372 1.00 0.00 C ATOM 0 H ILE A 99 -21.668 -8.806 -9.219 1.00 0.00 H new ATOM 0 HA ILE A 99 -22.101 -9.704 -6.407 1.00 0.00 H new ATOM 0 HB ILE A 99 -22.749 -7.417 -5.977 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -21.658 -6.613 -8.670 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -23.354 -7.004 -8.465 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -20.497 -6.432 -6.048 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -20.471 -8.127 -5.505 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -19.976 -7.716 -7.165 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -22.973 -4.576 -8.184 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -23.542 -5.297 -6.659 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -21.820 -4.901 -6.868 1.00 0.00 H new ATOM 1567 N THR A 100 -24.682 -9.134 -6.592 1.00 0.00 N ATOM 1568 CA THR A 100 -26.107 -9.363 -6.755 1.00 0.00 C ATOM 1569 C THR A 100 -26.885 -8.066 -6.523 1.00 0.00 C ATOM 1570 O THR A 100 -26.456 -7.211 -5.749 1.00 0.00 O ATOM 1571 CB THR A 100 -26.515 -10.493 -5.809 1.00 0.00 C ATOM 1572 OG1 THR A 100 -25.736 -11.606 -6.240 1.00 0.00 O ATOM 1573 CG2 THR A 100 -27.962 -10.945 -6.026 1.00 0.00 C ATOM 0 H THR A 100 -24.408 -8.787 -5.673 1.00 0.00 H new ATOM 0 HA THR A 100 -26.345 -9.670 -7.773 1.00 0.00 H new ATOM 0 HB THR A 100 -26.387 -10.166 -4.777 1.00 0.00 H new ATOM 0 HG1 THR A 100 -25.937 -12.383 -5.678 1.00 0.00 H new ATOM 0 HG21 THR A 100 -28.201 -11.749 -5.329 1.00 0.00 H new ATOM 0 HG22 THR A 100 -28.635 -10.105 -5.855 1.00 0.00 H new ATOM 0 HG23 THR A 100 -28.082 -11.304 -7.048 1.00 0.00 H new ATOM 1581 N THR A 101 -28.013 -7.960 -7.208 1.00 0.00 N ATOM 1582 CA THR A 101 -28.855 -6.781 -7.087 1.00 0.00 C ATOM 1583 C THR A 101 -30.137 -7.118 -6.323 1.00 0.00 C ATOM 1584 O THR A 101 -30.367 -8.273 -5.970 1.00 0.00 O ATOM 1585 CB THR A 101 -29.109 -6.235 -8.493 1.00 0.00 C ATOM 1586 OG1 THR A 101 -29.979 -7.195 -9.085 1.00 0.00 O ATOM 1587 CG2 THR A 101 -27.857 -6.272 -9.372 1.00 0.00 C ATOM 0 H THR A 101 -28.365 -8.671 -7.849 1.00 0.00 H new ATOM 0 HA THR A 101 -28.364 -6.001 -6.505 1.00 0.00 H new ATOM 0 HB THR A 101 -29.472 -5.210 -8.424 1.00 0.00 H new ATOM 0 HG1 THR A 101 -30.197 -6.919 -10.000 1.00 0.00 H new ATOM 0 HG21 THR A 101 -28.093 -5.873 -10.359 1.00 0.00 H new ATOM 0 HG22 THR A 101 -27.073 -5.668 -8.915 1.00 0.00 H new ATOM 0 HG23 THR A 101 -27.511 -7.301 -9.470 1.00 0.00 H new ATOM 1595 N ILE A 102 -30.938 -6.087 -6.093 1.00 0.00 N ATOM 1596 CA ILE A 102 -32.190 -6.259 -5.377 1.00 0.00 C ATOM 1597 C ILE A 102 -33.236 -6.848 -6.325 1.00 0.00 C ATOM 1598 O ILE A 102 -32.945 -7.111 -7.491 1.00 0.00 O ATOM 1599 CB ILE A 102 -32.622 -4.943 -4.728 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -32.900 -3.874 -5.785 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -31.590 -4.476 -3.699 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -34.234 -3.173 -5.519 1.00 0.00 C ATOM 0 H ILE A 102 -30.744 -5.131 -6.390 1.00 0.00 H new ATOM 0 HA ILE A 102 -32.066 -6.966 -4.557 1.00 0.00 H new ATOM 0 HB ILE A 102 -33.556 -5.117 -4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -32.094 -3.141 -5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -32.916 -4.331 -6.774 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -31.920 -3.538 -3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -31.484 -5.232 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -30.629 -4.325 -4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -34.407 -2.417 -6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -35.041 -3.905 -5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -34.205 -2.696 -4.539 1.00 0.00 H new ATOM 1614 N ASP A 103 -34.434 -7.038 -5.791 1.00 0.00 N ATOM 1615 CA ASP A 103 -35.524 -7.591 -6.575 1.00 0.00 C ATOM 1616 C ASP A 103 -35.540 -6.932 -7.956 1.00 0.00 C ATOM 1617 O ASP A 103 -35.465 -5.709 -8.065 1.00 0.00 O ATOM 1618 CB ASP A 103 -36.875 -7.321 -5.907 1.00 0.00 C ATOM 1619 CG ASP A 103 -38.098 -7.722 -6.736 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -38.183 -7.244 -7.887 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -38.919 -8.496 -6.199 1.00 0.00 O ATOM 0 H ASP A 103 -34.673 -6.818 -4.824 1.00 0.00 H new ATOM 0 HA ASP A 103 -35.369 -8.667 -6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -36.907 -7.855 -4.958 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -36.944 -6.258 -5.677 1.00 0.00 H new ATOM 1626 N SER A 104 -35.639 -7.771 -8.976 1.00 0.00 N ATOM 1627 CA SER A 104 -35.665 -7.286 -10.345 1.00 0.00 C ATOM 1628 C SER A 104 -35.636 -8.465 -11.319 1.00 0.00 C ATOM 1629 O SER A 104 -34.787 -9.347 -11.206 1.00 0.00 O ATOM 1630 CB SER A 104 -34.492 -6.343 -10.617 1.00 0.00 C ATOM 1631 OG SER A 104 -34.228 -6.206 -12.012 1.00 0.00 O ATOM 0 H SER A 104 -35.702 -8.785 -8.882 1.00 0.00 H new ATOM 0 HA SER A 104 -36.588 -6.725 -10.492 1.00 0.00 H new ATOM 0 HB2 SER A 104 -34.708 -5.363 -10.191 1.00 0.00 H new ATOM 0 HB3 SER A 104 -33.601 -6.719 -10.115 1.00 0.00 H new ATOM 0 HG SER A 104 -33.473 -5.595 -12.144 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.064 5.433 -17.879 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.630 7.273 -19.106 1.00 0.00 C HETATM 1640 CHB HEM A 105 -7.014 4.754 -21.083 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.615 3.408 -16.628 1.00 0.00 C HETATM 1642 CHD HEM A 105 -8.963 6.265 -14.688 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.711 5.911 -19.700 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.840 6.601 -20.032 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.043 6.581 -21.493 1.00 0.00 C HETATM 1646 C3A HEM A 105 -8.981 5.935 -22.068 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.149 5.530 -20.957 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.722 5.684 -23.552 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.253 7.141 -22.214 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.485 6.279 -21.985 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.144 4.819 -21.771 1.00 0.00 C HETATM 1652 O1A HEM A 105 -11.451 4.507 -20.784 1.00 0.00 O HETATM 1653 O2A HEM A 105 -12.525 3.977 -22.605 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.619 4.351 -18.671 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.300 4.188 -20.030 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.156 3.307 -20.200 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.807 2.878 -18.934 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.691 3.554 -18.014 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.563 2.867 -21.539 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.961 1.819 -18.531 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.680 1.505 -18.930 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.424 4.938 -16.058 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.414 4.045 -15.723 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.277 3.878 -14.260 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.233 4.692 -13.721 1.00 0.00 C HETATM 1666 C4C HEM A 105 -7.915 5.366 -14.835 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.266 2.926 -13.572 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.529 4.886 -12.365 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.532 5.014 -11.412 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.525 6.515 -17.050 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.727 6.801 -15.696 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.804 7.740 -15.513 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.229 8.053 -16.750 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.481 7.252 -17.712 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.385 8.243 -14.201 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.229 9.125 -17.106 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.614 8.539 -17.212 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.433 9.207 -18.289 1.00 0.00 C HETATM 1679 O1D HEM A 105 -14.027 10.300 -18.735 1.00 0.00 O HETATM 1680 O2D HEM A 105 -15.471 8.636 -18.704 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.673 5.603 -24.079 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.161 4.757 -23.672 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.147 6.512 -23.966 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -5.350 2.836 -22.293 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.122 1.876 -21.433 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -3.794 3.575 -21.847 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -4.982 3.336 -12.603 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -4.379 2.824 -14.197 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -5.725 1.948 -13.431 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.284 7.471 -13.438 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.440 8.482 -14.338 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -10.849 9.138 -13.885 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.174 0.638 -18.506 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.172 2.124 -19.670 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.795 5.164 -10.365 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.484 4.965 -11.709 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.152 6.370 -22.842 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -13.028 6.652 -21.117 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.045 7.204 -23.282 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.448 8.156 -21.867 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.124 8.640 -16.254 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.540 7.472 -17.423 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -11.951 9.591 -18.052 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.216 9.909 -16.349 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.439 7.871 -19.500 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.649 4.570 -22.083 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.863 2.737 -16.240 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.201 6.574 -13.681 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.389 1.146 -17.788 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.572 4.938 -12.052 1.00 0.00 H new