USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 854 hydrogens (30 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 64 HIS HE2 : A 64 HIS NE2 : A 129 HEMFE :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 129 HEMFE :(H bumps) USER MOD Set 1.1: A 125 SER OG : rot -66:sc= 1.2 USER MOD Set 1.2: A 126 SER OG : rot 180:sc= 0.42 USER MOD Set 1.3: A 127 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 118 THR OG1 : rot -145:sc= 0.942 USER MOD Set 2.2: A 121 THR OG1 : rot 130:sc= 0.77 USER MOD Set 3.1: A 24 GLN : amide:sc= -1.48 K(o=0.76,f=-3.9!) USER MOD Set 3.2: A 53 LYS NZ :NH3+ -165:sc= 2.24 (180deg=1.7) USER MOD Set 4.1: A 51 HIS : no HD1:sc= 0.974 K(o=0.93,f=-5.3!) USER MOD Set 4.2: A 80 THR OG1 : rot -68:sc= -0.0416 USER MOD Set 5.1: A 41 ASN : amide:sc= 0.227 K(o=-0.037,f=-4.8!) USER MOD Set 5.2: A 42 HIS : no HD1:sc= -0.263 K(o=-0.037,f=-2.2) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.054 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -168:sc= -0.625 USER MOD Single : A 38 GLN : amide:sc= 0.0136 X(o=0.014,f=-0.14) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -0.208 K(o=-0.21,f=-3.1) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0291 USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= -0.0237 (180deg=-0.201) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -38:sc= 1.14 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -87:sc= 1.39 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.2) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.0161 F(o=-0.68,f=-0.016) USER MOD Single : A 89 SER OG : rot 79:sc= -2.93! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 159:sc= -0.183 (180deg=-0.843) USER MOD Single : A 96 SER OG : rot -125:sc= 0.0582 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.056 USER MOD Single : A 105 HIS : no HD1:sc= -2.76! C(o=-2.8!,f=-2.6!) USER MOD Single : A 111 LYS NZ :NH3+ -159:sc= 1.24 (180deg=0.721) USER MOD Single : A 113 ASN :FLIP amide:sc= -0.117 F(o=-1.6!,f=-0.12) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 1.1 (180deg=1.1) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.0371 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HEM CMA :methyl 150:sc= -2.91! (180deg=-2.91!) USER MOD Single : A 129 HEM CMB :methyl -30:sc= -0.0993 (180deg=-2.5!) USER MOD Single : A 129 HEM CMC :methyl -30:sc= -0.941 (180deg=-2.76) USER MOD Single : A 129 HEM CMD :methyl -30:sc= -0.0652 (180deg=-1.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -7.588 -9.902 -10.624 1.00 14.68 N ATOM 2 CA MET A 21 -7.987 -8.546 -10.996 1.00 14.32 C ATOM 3 C MET A 21 -6.784 -7.758 -11.496 1.00 13.51 C ATOM 4 O MET A 21 -6.634 -7.519 -12.694 1.00 13.68 O ATOM 5 CB MET A 21 -8.622 -7.825 -9.797 1.00 14.15 C ATOM 6 CG MET A 21 -8.992 -6.370 -10.060 1.00 14.65 C ATOM 7 SD MET A 21 -10.261 -6.186 -11.326 1.00 15.21 S ATOM 8 CE MET A 21 -10.536 -4.416 -11.277 1.00 15.63 C ATOM 0 HA MET A 21 -8.724 -8.613 -11.797 1.00 14.32 H new ATOM 0 HB2 MET A 21 -9.519 -8.367 -9.497 1.00 14.15 H new ATOM 0 HB3 MET A 21 -7.929 -7.865 -8.956 1.00 14.15 H new ATOM 0 HG2 MET A 21 -9.343 -5.916 -9.133 1.00 14.65 H new ATOM 0 HG3 MET A 21 -8.100 -5.823 -10.365 1.00 14.65 H new ATOM 0 HE1 MET A 21 -11.298 -4.146 -12.008 1.00 15.63 H new ATOM 0 HE2 MET A 21 -10.870 -4.127 -10.280 1.00 15.63 H new ATOM 0 HE3 MET A 21 -9.607 -3.897 -11.513 1.00 15.63 H new ATOM 18 N ALA A 22 -5.923 -7.390 -10.555 1.00 12.77 N ATOM 19 CA ALA A 22 -4.708 -6.635 -10.835 1.00 12.10 C ATOM 20 C ALA A 22 -3.821 -6.640 -9.595 1.00 11.21 C ATOM 21 O ALA A 22 -4.300 -6.400 -8.485 1.00 11.30 O ATOM 22 CB ALA A 22 -5.046 -5.202 -11.238 1.00 12.20 C ATOM 0 H ALA A 22 -6.050 -7.609 -9.567 1.00 12.77 H new ATOM 0 HA ALA A 22 -4.178 -7.102 -11.665 1.00 12.10 H new ATOM 0 HB1 ALA A 22 -4.126 -4.655 -11.443 1.00 12.20 H new ATOM 0 HB2 ALA A 22 -5.668 -5.213 -12.133 1.00 12.20 H new ATOM 0 HB3 ALA A 22 -5.586 -4.713 -10.427 1.00 12.20 H new ATOM 28 N GLU A 23 -2.551 -6.953 -9.777 1.00 10.56 N ATOM 29 CA GLU A 23 -1.596 -6.951 -8.679 1.00 9.86 C ATOM 30 C GLU A 23 -0.751 -5.676 -8.699 1.00 9.83 C ATOM 31 O GLU A 23 -1.152 -4.652 -8.141 1.00 10.22 O ATOM 32 CB GLU A 23 -0.707 -8.208 -8.725 1.00 8.92 C ATOM 33 CG GLU A 23 -0.744 -8.971 -10.052 1.00 9.14 C ATOM 34 CD GLU A 23 -0.318 -8.130 -11.241 1.00 9.74 C ATOM 35 OE1 GLU A 23 0.888 -7.855 -11.377 1.00 9.87 O ATOM 36 OE2 GLU A 23 -1.197 -7.729 -12.035 1.00 10.29 O ATOM 0 H GLU A 23 -2.153 -7.214 -10.679 1.00 10.56 H new ATOM 0 HA GLU A 23 -2.152 -6.970 -7.742 1.00 9.86 H new ATOM 0 HB2 GLU A 23 0.323 -7.916 -8.518 1.00 8.92 H new ATOM 0 HB3 GLU A 23 -1.013 -8.882 -7.925 1.00 8.92 H new ATOM 0 HG2 GLU A 23 -0.093 -9.842 -9.980 1.00 9.14 H new ATOM 0 HG3 GLU A 23 -1.755 -9.342 -10.222 1.00 9.14 H new ATOM 43 N GLN A 24 0.397 -5.750 -9.360 1.00 9.65 N ATOM 44 CA GLN A 24 1.315 -4.625 -9.544 1.00 9.95 C ATOM 45 C GLN A 24 2.228 -4.972 -10.702 1.00 9.30 C ATOM 46 O GLN A 24 2.107 -4.445 -11.808 1.00 9.57 O ATOM 47 CB GLN A 24 2.186 -4.366 -8.293 1.00 10.36 C ATOM 48 CG GLN A 24 1.466 -3.738 -7.112 1.00 11.10 C ATOM 49 CD GLN A 24 1.022 -2.312 -7.377 1.00 11.88 C ATOM 50 OE1 GLN A 24 0.679 -1.938 -8.498 1.00 12.37 O ATOM 51 NE2 GLN A 24 1.043 -1.493 -6.340 1.00 12.20 N ATOM 0 H GLN A 24 0.727 -6.612 -9.794 1.00 9.65 H new ATOM 0 HA GLN A 24 0.730 -3.724 -9.729 1.00 9.95 H new ATOM 0 HB2 GLN A 24 2.618 -5.313 -7.970 1.00 10.36 H new ATOM 0 HB3 GLN A 24 3.015 -3.718 -8.577 1.00 10.36 H new ATOM 0 HG2 GLN A 24 0.595 -4.343 -6.862 1.00 11.10 H new ATOM 0 HG3 GLN A 24 2.124 -3.752 -6.243 1.00 11.10 H new ATOM 0 HE21 GLN A 24 1.333 -1.837 -5.424 1.00 12.20 H new ATOM 0 HE22 GLN A 24 0.769 -0.517 -6.455 1.00 12.20 H new ATOM 60 N SER A 25 3.146 -5.870 -10.410 1.00 8.66 N ATOM 61 CA SER A 25 3.990 -6.495 -11.403 1.00 8.30 C ATOM 62 C SER A 25 4.378 -7.874 -10.879 1.00 7.40 C ATOM 63 O SER A 25 5.164 -8.601 -11.489 1.00 7.32 O ATOM 64 CB SER A 25 5.231 -5.634 -11.646 1.00 8.45 C ATOM 65 OG SER A 25 4.863 -4.327 -12.059 1.00 8.80 O ATOM 0 H SER A 25 3.328 -6.190 -9.459 1.00 8.66 H new ATOM 0 HA SER A 25 3.465 -6.594 -12.353 1.00 8.30 H new ATOM 0 HB2 SER A 25 5.825 -5.579 -10.734 1.00 8.45 H new ATOM 0 HB3 SER A 25 5.858 -6.098 -12.407 1.00 8.45 H new ATOM 0 HG SER A 25 5.670 -3.792 -12.208 1.00 8.80 H new ATOM 71 N ASP A 26 3.789 -8.218 -9.734 1.00 7.02 N ATOM 72 CA ASP A 26 4.119 -9.432 -9.009 1.00 6.51 C ATOM 73 C ASP A 26 3.009 -9.763 -8.020 1.00 5.72 C ATOM 74 O ASP A 26 2.353 -8.857 -7.512 1.00 5.93 O ATOM 75 CB ASP A 26 5.455 -9.283 -8.268 1.00 6.68 C ATOM 76 CG ASP A 26 5.459 -8.158 -7.244 1.00 7.05 C ATOM 77 OD1 ASP A 26 5.347 -6.978 -7.645 1.00 7.49 O ATOM 78 OD2 ASP A 26 5.606 -8.449 -6.036 1.00 7.19 O ATOM 0 H ASP A 26 3.066 -7.655 -9.286 1.00 7.02 H new ATOM 0 HA ASP A 26 4.216 -10.245 -9.728 1.00 6.51 H new ATOM 0 HB2 ASP A 26 5.689 -10.222 -7.766 1.00 6.68 H new ATOM 0 HB3 ASP A 26 6.247 -9.104 -8.995 1.00 6.68 H new ATOM 83 N GLU A 27 2.793 -11.047 -7.768 1.00 5.18 N ATOM 84 CA GLU A 27 1.641 -11.506 -6.988 1.00 4.82 C ATOM 85 C GLU A 27 1.594 -10.880 -5.590 1.00 3.91 C ATOM 86 O GLU A 27 0.736 -10.035 -5.297 1.00 4.18 O ATOM 87 CB GLU A 27 1.693 -13.030 -6.873 1.00 5.12 C ATOM 88 CG GLU A 27 0.556 -13.630 -6.070 1.00 5.86 C ATOM 89 CD GLU A 27 -0.754 -13.646 -6.826 1.00 6.70 C ATOM 90 OE1 GLU A 27 -0.962 -14.583 -7.627 1.00 7.26 O ATOM 91 OE2 GLU A 27 -1.588 -12.747 -6.608 1.00 7.03 O ATOM 0 H GLU A 27 3.403 -11.797 -8.093 1.00 5.18 H new ATOM 0 HA GLU A 27 0.737 -11.191 -7.509 1.00 4.82 H new ATOM 0 HB2 GLU A 27 1.682 -13.460 -7.875 1.00 5.12 H new ATOM 0 HB3 GLU A 27 2.639 -13.317 -6.413 1.00 5.12 H new ATOM 0 HG2 GLU A 27 0.818 -14.649 -5.785 1.00 5.86 H new ATOM 0 HG3 GLU A 27 0.431 -13.063 -5.148 1.00 5.86 H new ATOM 98 N ALA A 28 2.516 -11.302 -4.734 1.00 3.15 N ATOM 99 CA ALA A 28 2.482 -10.929 -3.330 1.00 2.43 C ATOM 100 C ALA A 28 3.239 -9.639 -3.074 1.00 1.93 C ATOM 101 O ALA A 28 4.455 -9.641 -2.881 1.00 2.03 O ATOM 102 CB ALA A 28 3.039 -12.045 -2.461 1.00 2.71 C ATOM 0 H ALA A 28 3.298 -11.905 -4.991 1.00 3.15 H new ATOM 0 HA ALA A 28 1.438 -10.764 -3.065 1.00 2.43 H new ATOM 0 HB1 ALA A 28 3.004 -11.743 -1.414 1.00 2.71 H new ATOM 0 HB2 ALA A 28 2.442 -12.946 -2.599 1.00 2.71 H new ATOM 0 HB3 ALA A 28 4.072 -12.247 -2.746 1.00 2.71 H new ATOM 108 N VAL A 29 2.499 -8.541 -3.086 1.00 1.65 N ATOM 109 CA VAL A 29 3.025 -7.236 -2.721 1.00 1.29 C ATOM 110 C VAL A 29 3.345 -7.216 -1.224 1.00 1.04 C ATOM 111 O VAL A 29 2.774 -8.000 -0.466 1.00 1.10 O ATOM 112 CB VAL A 29 1.984 -6.139 -3.043 1.00 1.34 C ATOM 113 CG1 VAL A 29 2.499 -4.758 -2.684 1.00 1.70 C ATOM 114 CG2 VAL A 29 1.586 -6.191 -4.508 1.00 1.82 C ATOM 0 H VAL A 29 1.514 -8.531 -3.350 1.00 1.65 H new ATOM 0 HA VAL A 29 3.934 -7.043 -3.291 1.00 1.29 H new ATOM 0 HB VAL A 29 1.102 -6.335 -2.433 1.00 1.34 H new ATOM 0 HG11 VAL A 29 1.740 -4.013 -2.924 1.00 1.70 H new ATOM 0 HG12 VAL A 29 2.721 -4.718 -1.618 1.00 1.70 H new ATOM 0 HG13 VAL A 29 3.406 -4.549 -3.252 1.00 1.70 H new ATOM 0 HG21 VAL A 29 0.853 -5.411 -4.714 1.00 1.82 H new ATOM 0 HG22 VAL A 29 2.467 -6.034 -5.130 1.00 1.82 H new ATOM 0 HG23 VAL A 29 1.152 -7.165 -4.733 1.00 1.82 H new ATOM 124 N LYS A 30 4.271 -6.354 -0.807 1.00 0.90 N ATOM 125 CA LYS A 30 4.587 -6.212 0.610 1.00 0.79 C ATOM 126 C LYS A 30 3.324 -5.903 1.405 1.00 0.63 C ATOM 127 O LYS A 30 2.597 -4.965 1.078 1.00 0.66 O ATOM 128 CB LYS A 30 5.628 -5.111 0.843 1.00 0.87 C ATOM 129 CG LYS A 30 6.934 -5.325 0.089 1.00 1.26 C ATOM 130 CD LYS A 30 7.918 -4.193 0.344 1.00 2.11 C ATOM 131 CE LYS A 30 7.359 -2.851 -0.111 1.00 2.93 C ATOM 132 NZ LYS A 30 8.336 -1.750 0.081 1.00 3.71 N ATOM 0 H LYS A 30 4.811 -5.749 -1.426 1.00 0.90 H new ATOM 0 HA LYS A 30 5.008 -7.158 0.952 1.00 0.79 H new ATOM 0 HB2 LYS A 30 5.201 -4.153 0.546 1.00 0.87 H new ATOM 0 HB3 LYS A 30 5.842 -5.047 1.910 1.00 0.87 H new ATOM 0 HG2 LYS A 30 7.380 -6.272 0.394 1.00 1.26 H new ATOM 0 HG3 LYS A 30 6.731 -5.398 -0.979 1.00 1.26 H new ATOM 0 HD2 LYS A 30 8.154 -4.148 1.407 1.00 2.11 H new ATOM 0 HD3 LYS A 30 8.851 -4.396 -0.181 1.00 2.11 H new ATOM 0 HE2 LYS A 30 7.082 -2.911 -1.164 1.00 2.93 H new ATOM 0 HE3 LYS A 30 6.449 -2.629 0.446 1.00 2.93 H new ATOM 0 HZ1 LYS A 30 7.917 -0.854 -0.241 1.00 3.71 H new ATOM 0 HZ2 LYS A 30 8.581 -1.675 1.089 1.00 3.71 H new ATOM 0 HZ3 LYS A 30 9.195 -1.948 -0.471 1.00 3.71 H new ATOM 146 N TYR A 31 3.068 -6.680 2.438 1.00 0.56 N ATOM 147 CA TYR A 31 1.872 -6.492 3.232 1.00 0.49 C ATOM 148 C TYR A 31 2.192 -5.806 4.550 1.00 0.50 C ATOM 149 O TYR A 31 3.332 -5.826 5.019 1.00 0.64 O ATOM 150 CB TYR A 31 1.184 -7.833 3.502 1.00 0.56 C ATOM 151 CG TYR A 31 0.755 -8.571 2.256 1.00 0.63 C ATOM 152 CD1 TYR A 31 0.154 -7.901 1.198 1.00 0.61 C ATOM 153 CD2 TYR A 31 0.981 -9.935 2.125 1.00 0.81 C ATOM 154 CE1 TYR A 31 -0.214 -8.574 0.048 1.00 0.75 C ATOM 155 CE2 TYR A 31 0.623 -10.612 0.979 1.00 0.94 C ATOM 156 CZ TYR A 31 -0.093 -9.930 -0.015 1.00 0.89 C ATOM 157 OH TYR A 31 -0.327 -10.602 -1.201 1.00 1.06 O ATOM 0 H TYR A 31 3.669 -7.444 2.746 1.00 0.56 H new ATOM 0 HA TYR A 31 1.196 -5.854 2.662 1.00 0.49 H new ATOM 0 HB2 TYR A 31 1.862 -8.468 4.072 1.00 0.56 H new ATOM 0 HB3 TYR A 31 0.308 -7.660 4.128 1.00 0.56 H new ATOM 0 HD1 TYR A 31 -0.028 -6.839 1.275 1.00 0.61 H new ATOM 0 HD2 TYR A 31 1.446 -10.475 2.936 1.00 0.81 H new ATOM 0 HE1 TYR A 31 -0.597 -8.026 -0.800 1.00 0.75 H new ATOM 0 HE2 TYR A 31 0.890 -11.650 0.849 1.00 0.94 H new ATOM 0 HH TYR A 31 -0.194 -11.563 -1.064 1.00 1.06 H new ATOM 167 N TYR A 32 1.190 -5.171 5.122 1.00 0.43 N ATOM 168 CA TYR A 32 1.252 -4.701 6.494 1.00 0.46 C ATOM 169 C TYR A 32 0.031 -5.229 7.214 1.00 0.53 C ATOM 170 O TYR A 32 -0.617 -6.126 6.700 1.00 0.89 O ATOM 171 CB TYR A 32 1.338 -3.174 6.546 1.00 0.46 C ATOM 172 CG TYR A 32 2.683 -2.668 6.079 1.00 0.52 C ATOM 173 CD1 TYR A 32 3.788 -2.712 6.921 1.00 0.98 C ATOM 174 CD2 TYR A 32 2.856 -2.172 4.795 1.00 1.09 C ATOM 175 CE1 TYR A 32 5.028 -2.273 6.496 1.00 1.03 C ATOM 176 CE2 TYR A 32 4.094 -1.736 4.361 1.00 1.20 C ATOM 177 CZ TYR A 32 5.176 -1.787 5.216 1.00 0.81 C ATOM 178 OH TYR A 32 6.414 -1.358 4.787 1.00 0.96 O ATOM 0 H TYR A 32 0.309 -4.965 4.651 1.00 0.43 H new ATOM 0 HA TYR A 32 2.152 -5.069 6.987 1.00 0.46 H new ATOM 0 HB2 TYR A 32 0.553 -2.745 5.923 1.00 0.46 H new ATOM 0 HB3 TYR A 32 1.157 -2.835 7.566 1.00 0.46 H new ATOM 0 HD1 TYR A 32 3.676 -3.096 7.924 1.00 0.98 H new ATOM 0 HD2 TYR A 32 2.011 -2.126 4.124 1.00 1.09 H new ATOM 0 HE1 TYR A 32 5.876 -2.311 7.164 1.00 1.03 H new ATOM 0 HE2 TYR A 32 4.214 -1.357 3.357 1.00 1.20 H new ATOM 0 HH TYR A 32 6.349 -1.046 3.860 1.00 0.96 H new ATOM 188 N THR A 33 -0.293 -4.730 8.379 1.00 0.48 N ATOM 189 CA THR A 33 -1.492 -5.201 9.039 1.00 0.57 C ATOM 190 C THR A 33 -2.508 -4.088 9.206 1.00 0.56 C ATOM 191 O THR A 33 -2.181 -2.909 9.010 1.00 0.60 O ATOM 192 CB THR A 33 -1.180 -5.817 10.416 1.00 0.72 C ATOM 193 OG1 THR A 33 -0.409 -4.904 11.201 1.00 0.77 O ATOM 194 CG2 THR A 33 -0.423 -7.130 10.276 1.00 0.82 C ATOM 0 H THR A 33 0.236 -4.018 8.882 1.00 0.48 H new ATOM 0 HA THR A 33 -1.915 -5.974 8.397 1.00 0.57 H new ATOM 0 HB THR A 33 -2.129 -6.017 10.913 1.00 0.72 H new ATOM 0 HG1 THR A 33 -0.056 -5.367 11.989 1.00 0.77 H new ATOM 0 HG21 THR A 33 -0.218 -7.539 11.265 1.00 0.82 H new ATOM 0 HG22 THR A 33 -1.026 -7.839 9.708 1.00 0.82 H new ATOM 0 HG23 THR A 33 0.518 -6.954 9.754 1.00 0.82 H new ATOM 202 N LEU A 34 -3.740 -4.464 9.533 1.00 0.60 N ATOM 203 CA LEU A 34 -4.746 -3.505 9.968 1.00 0.64 C ATOM 204 C LEU A 34 -4.123 -2.587 11.010 1.00 0.58 C ATOM 205 O LEU A 34 -4.196 -1.358 10.949 1.00 0.59 O ATOM 206 CB LEU A 34 -5.941 -4.244 10.573 1.00 0.86 C ATOM 207 CG LEU A 34 -7.104 -3.356 11.015 1.00 1.02 C ATOM 208 CD1 LEU A 34 -7.820 -2.774 9.806 1.00 1.23 C ATOM 209 CD2 LEU A 34 -8.070 -4.142 11.886 1.00 1.46 C ATOM 0 H LEU A 34 -4.065 -5.430 9.504 1.00 0.60 H new ATOM 0 HA LEU A 34 -5.093 -2.919 9.117 1.00 0.64 H new ATOM 0 HB2 LEU A 34 -6.312 -4.962 9.841 1.00 0.86 H new ATOM 0 HB3 LEU A 34 -5.595 -4.816 11.434 1.00 0.86 H new ATOM 0 HG LEU A 34 -6.705 -2.530 11.605 1.00 1.02 H new ATOM 0 HD11 LEU A 34 -8.645 -2.145 10.140 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -7.121 -2.176 9.222 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -8.208 -3.584 9.188 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -8.892 -3.495 12.192 1.00 1.46 H new ATOM 0 HD22 LEU A 34 -8.464 -4.987 11.321 1.00 1.46 H new ATOM 0 HD23 LEU A 34 -7.548 -4.508 12.770 1.00 1.46 H new ATOM 221 N GLU A 35 -3.477 -3.280 11.961 1.00 0.65 N ATOM 222 CA GLU A 35 -2.849 -2.705 13.145 1.00 0.77 C ATOM 223 C GLU A 35 -1.964 -1.531 12.792 1.00 0.73 C ATOM 224 O GLU A 35 -1.978 -0.507 13.459 1.00 0.88 O ATOM 225 CB GLU A 35 -1.982 -3.766 13.827 1.00 0.94 C ATOM 226 CG GLU A 35 -2.704 -5.071 14.148 1.00 1.41 C ATOM 227 CD GLU A 35 -1.750 -6.153 14.623 1.00 1.91 C ATOM 228 OE1 GLU A 35 -0.921 -6.608 13.807 1.00 2.34 O ATOM 229 OE2 GLU A 35 -1.816 -6.538 15.812 1.00 2.56 O ATOM 0 H GLU A 35 -3.378 -4.294 11.918 1.00 0.65 H new ATOM 0 HA GLU A 35 -3.644 -2.362 13.807 1.00 0.77 H new ATOM 0 HB2 GLU A 35 -1.130 -3.987 13.184 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -1.584 -3.350 14.752 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -3.456 -4.889 14.916 1.00 1.41 H new ATOM 0 HG3 GLU A 35 -3.233 -5.419 13.261 1.00 1.41 H new ATOM 236 N GLU A 36 -1.173 -1.742 11.743 1.00 0.63 N ATOM 237 CA GLU A 36 -0.127 -0.815 11.343 1.00 0.74 C ATOM 238 C GLU A 36 -0.700 0.421 10.677 1.00 0.67 C ATOM 239 O GLU A 36 -0.212 1.525 10.871 1.00 0.82 O ATOM 240 CB GLU A 36 0.854 -1.517 10.390 1.00 0.85 C ATOM 241 CG GLU A 36 1.864 -2.415 11.091 1.00 0.95 C ATOM 242 CD GLU A 36 2.963 -1.631 11.779 1.00 1.24 C ATOM 243 OE1 GLU A 36 2.657 -0.595 12.407 1.00 1.76 O ATOM 244 OE2 GLU A 36 4.141 -2.025 11.665 1.00 1.67 O ATOM 0 H GLU A 36 -1.243 -2.566 11.146 1.00 0.63 H new ATOM 0 HA GLU A 36 0.400 -0.495 12.242 1.00 0.74 H new ATOM 0 HB2 GLU A 36 0.286 -2.114 9.676 1.00 0.85 H new ATOM 0 HB3 GLU A 36 1.391 -0.761 9.817 1.00 0.85 H new ATOM 0 HG2 GLU A 36 1.347 -3.031 11.827 1.00 0.95 H new ATOM 0 HG3 GLU A 36 2.308 -3.093 10.363 1.00 0.95 H new ATOM 251 N ILE A 37 -1.730 0.218 9.869 1.00 0.52 N ATOM 252 CA ILE A 37 -2.349 1.312 9.133 1.00 0.50 C ATOM 253 C ILE A 37 -3.242 2.125 10.068 1.00 0.53 C ATOM 254 O ILE A 37 -3.554 3.285 9.812 1.00 0.72 O ATOM 255 CB ILE A 37 -3.141 0.776 7.918 1.00 0.49 C ATOM 256 CG1 ILE A 37 -2.229 -0.119 7.069 1.00 0.51 C ATOM 257 CG2 ILE A 37 -3.679 1.923 7.072 1.00 0.54 C ATOM 258 CD1 ILE A 37 -2.906 -0.704 5.854 1.00 0.72 C ATOM 0 H ILE A 37 -2.156 -0.695 9.706 1.00 0.52 H new ATOM 0 HA ILE A 37 -1.569 1.969 8.748 1.00 0.50 H new ATOM 0 HB ILE A 37 -3.989 0.195 8.281 1.00 0.49 H new ATOM 0 HG12 ILE A 37 -1.364 0.461 6.747 1.00 0.51 H new ATOM 0 HG13 ILE A 37 -1.854 -0.932 7.690 1.00 0.51 H new ATOM 0 HG21 ILE A 37 -4.232 1.521 6.223 1.00 0.54 H new ATOM 0 HG22 ILE A 37 -4.342 2.542 7.677 1.00 0.54 H new ATOM 0 HG23 ILE A 37 -2.848 2.528 6.709 1.00 0.54 H new ATOM 0 HD11 ILE A 37 -2.197 -1.324 5.306 1.00 0.72 H new ATOM 0 HD12 ILE A 37 -3.754 -1.313 6.168 1.00 0.72 H new ATOM 0 HD13 ILE A 37 -3.257 0.102 5.210 1.00 0.72 H new ATOM 270 N GLN A 38 -3.634 1.488 11.160 1.00 0.48 N ATOM 271 CA GLN A 38 -4.274 2.160 12.284 1.00 0.52 C ATOM 272 C GLN A 38 -3.229 2.906 13.107 1.00 0.54 C ATOM 273 O GLN A 38 -3.499 3.915 13.748 1.00 0.64 O ATOM 274 CB GLN A 38 -4.959 1.114 13.156 1.00 0.56 C ATOM 275 CG GLN A 38 -6.301 0.646 12.620 1.00 0.78 C ATOM 276 CD GLN A 38 -7.365 1.723 12.676 1.00 0.72 C ATOM 277 OE1 GLN A 38 -8.098 1.841 13.658 1.00 1.11 O ATOM 278 NE2 GLN A 38 -7.453 2.524 11.627 1.00 0.74 N ATOM 0 H GLN A 38 -3.517 0.484 11.294 1.00 0.48 H new ATOM 0 HA GLN A 38 -5.008 2.876 11.914 1.00 0.52 H new ATOM 0 HB2 GLN A 38 -4.299 0.252 13.258 1.00 0.56 H new ATOM 0 HB3 GLN A 38 -5.102 1.526 14.155 1.00 0.56 H new ATOM 0 HG2 GLN A 38 -6.179 0.315 11.588 1.00 0.78 H new ATOM 0 HG3 GLN A 38 -6.635 -0.218 13.194 1.00 0.78 H new ATOM 0 HE21 GLN A 38 -6.827 2.394 10.832 1.00 0.74 H new ATOM 0 HE22 GLN A 38 -8.147 3.272 11.613 1.00 0.74 H new ATOM 287 N LYS A 39 -2.024 2.366 13.068 1.00 0.54 N ATOM 288 CA LYS A 39 -0.911 2.819 13.886 1.00 0.62 C ATOM 289 C LYS A 39 -0.193 3.995 13.223 1.00 0.58 C ATOM 290 O LYS A 39 0.716 4.593 13.804 1.00 0.66 O ATOM 291 CB LYS A 39 0.039 1.634 14.046 1.00 0.77 C ATOM 292 CG LYS A 39 1.042 1.734 15.175 1.00 1.28 C ATOM 293 CD LYS A 39 1.634 0.360 15.454 1.00 1.57 C ATOM 294 CE LYS A 39 3.075 0.437 15.913 1.00 2.08 C ATOM 295 NZ LYS A 39 3.210 1.070 17.253 1.00 2.52 N ATOM 0 H LYS A 39 -1.786 1.586 12.456 1.00 0.54 H new ATOM 0 HA LYS A 39 -1.266 3.166 14.857 1.00 0.62 H new ATOM 0 HB2 LYS A 39 -0.557 0.734 14.195 1.00 0.77 H new ATOM 0 HB3 LYS A 39 0.585 1.503 13.112 1.00 0.77 H new ATOM 0 HG2 LYS A 39 1.833 2.435 14.911 1.00 1.28 H new ATOM 0 HG3 LYS A 39 0.558 2.122 16.072 1.00 1.28 H new ATOM 0 HD2 LYS A 39 1.038 -0.142 16.217 1.00 1.57 H new ATOM 0 HD3 LYS A 39 1.575 -0.249 14.552 1.00 1.57 H new ATOM 0 HE2 LYS A 39 3.498 -0.567 15.944 1.00 2.08 H new ATOM 0 HE3 LYS A 39 3.655 1.005 15.186 1.00 2.08 H new ATOM 0 HZ1 LYS A 39 4.214 1.100 17.523 1.00 2.52 H new ATOM 0 HZ2 LYS A 39 2.832 2.038 17.219 1.00 2.52 H new ATOM 0 HZ3 LYS A 39 2.679 0.515 17.954 1.00 2.52 H new ATOM 309 N HIS A 40 -0.600 4.302 11.992 1.00 0.53 N ATOM 310 CA HIS A 40 0.026 5.355 11.194 1.00 0.56 C ATOM 311 C HIS A 40 -1.049 6.280 10.637 1.00 0.65 C ATOM 312 O HIS A 40 -0.983 6.733 9.499 1.00 0.93 O ATOM 313 CB HIS A 40 0.843 4.747 10.047 1.00 0.56 C ATOM 314 CG HIS A 40 1.957 3.856 10.501 1.00 0.93 C ATOM 315 ND1 HIS A 40 2.147 2.589 10.011 1.00 1.08 N ATOM 316 CD2 HIS A 40 2.946 4.057 11.406 1.00 1.39 C ATOM 317 CE1 HIS A 40 3.193 2.042 10.593 1.00 1.59 C ATOM 318 NE2 HIS A 40 3.701 2.909 11.445 1.00 1.80 N ATOM 0 H HIS A 40 -1.371 3.829 11.521 1.00 0.53 H new ATOM 0 HA HIS A 40 0.701 5.927 11.831 1.00 0.56 H new ATOM 0 HB2 HIS A 40 0.175 4.177 9.401 1.00 0.56 H new ATOM 0 HB3 HIS A 40 1.259 5.553 9.443 1.00 0.56 H new ATOM 0 HD1 HIS A 40 1.566 2.139 9.303 1.00 1.08 H new ATOM 0 HD2 HIS A 40 3.110 4.952 11.988 1.00 1.39 H new ATOM 0 HE1 HIS A 40 3.572 1.048 10.404 1.00 1.59 H new ATOM 327 N ASN A 41 -2.056 6.515 11.465 1.00 0.56 N ATOM 328 CA ASN A 41 -3.247 7.280 11.087 1.00 0.64 C ATOM 329 C ASN A 41 -3.145 8.728 11.553 1.00 0.82 C ATOM 330 O ASN A 41 -4.162 9.393 11.753 1.00 1.20 O ATOM 331 CB ASN A 41 -4.476 6.636 11.740 1.00 0.69 C ATOM 332 CG ASN A 41 -4.486 6.764 13.258 1.00 1.20 C ATOM 333 OD1 ASN A 41 -3.436 6.786 13.907 1.00 1.76 O ATOM 334 ND2 ASN A 41 -5.672 6.861 13.829 1.00 1.74 N ATOM 0 H ASN A 41 -2.075 6.179 12.428 1.00 0.56 H new ATOM 0 HA ASN A 41 -3.333 7.272 10.000 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -5.377 7.098 11.337 1.00 0.69 H new ATOM 0 HB3 ASN A 41 -4.511 5.580 11.471 1.00 0.69 H new ATOM 0 HD21 ASN A 41 -5.744 6.958 14.842 1.00 1.74 H new ATOM 0 HD22 ASN A 41 -6.517 6.839 13.257 1.00 1.74 H new ATOM 341 N HIS A 42 -1.923 9.215 11.727 1.00 0.73 N ATOM 342 CA HIS A 42 -1.713 10.457 12.463 1.00 0.97 C ATOM 343 C HIS A 42 -0.515 11.262 11.945 1.00 1.06 C ATOM 344 O HIS A 42 0.027 10.973 10.888 1.00 1.54 O ATOM 345 CB HIS A 42 -1.530 10.134 13.955 1.00 1.05 C ATOM 346 CG HIS A 42 -0.518 9.050 14.212 1.00 0.90 C ATOM 347 ND1 HIS A 42 0.775 9.104 13.736 1.00 0.81 N ATOM 348 CD2 HIS A 42 -0.629 7.860 14.853 1.00 1.14 C ATOM 349 CE1 HIS A 42 1.410 7.993 14.062 1.00 0.87 C ATOM 350 NE2 HIS A 42 0.584 7.223 14.742 1.00 1.08 N ATOM 0 H HIS A 42 -1.072 8.777 11.374 1.00 0.73 H new ATOM 0 HA HIS A 42 -2.594 11.082 12.314 1.00 0.97 H new ATOM 0 HB2 HIS A 42 -1.224 11.039 14.480 1.00 1.05 H new ATOM 0 HB3 HIS A 42 -2.490 9.832 14.374 1.00 1.05 H new ATOM 0 HD2 HIS A 42 -1.507 7.483 15.357 1.00 1.14 H new ATOM 0 HE1 HIS A 42 2.434 7.755 13.813 1.00 0.87 H new ATOM 0 HE2 HIS A 42 0.808 6.304 15.124 1.00 1.08 H new ATOM 359 N SER A 43 -0.105 12.256 12.732 1.00 1.01 N ATOM 360 CA SER A 43 0.967 13.183 12.365 1.00 1.12 C ATOM 361 C SER A 43 2.291 12.478 12.050 1.00 0.97 C ATOM 362 O SER A 43 2.779 12.546 10.925 1.00 1.05 O ATOM 363 CB SER A 43 1.176 14.162 13.515 1.00 1.34 C ATOM 364 OG SER A 43 1.299 13.457 14.741 1.00 2.00 O ATOM 0 H SER A 43 -0.510 12.443 13.649 1.00 1.01 H new ATOM 0 HA SER A 43 0.661 13.697 11.454 1.00 1.12 H new ATOM 0 HB2 SER A 43 2.072 14.757 13.338 1.00 1.34 H new ATOM 0 HB3 SER A 43 0.337 14.856 13.569 1.00 1.34 H new ATOM 0 HG SER A 43 1.435 14.095 15.473 1.00 2.00 H new ATOM 370 N LYS A 44 2.863 11.815 13.064 1.00 0.89 N ATOM 371 CA LYS A 44 4.185 11.175 12.962 1.00 0.89 C ATOM 372 C LYS A 44 4.351 10.350 11.684 1.00 0.77 C ATOM 373 O LYS A 44 5.432 10.309 11.101 1.00 0.94 O ATOM 374 CB LYS A 44 4.444 10.294 14.190 1.00 1.01 C ATOM 375 CG LYS A 44 5.131 11.022 15.339 1.00 1.53 C ATOM 376 CD LYS A 44 4.285 12.167 15.876 1.00 2.16 C ATOM 377 CE LYS A 44 4.986 12.912 17.002 1.00 2.63 C ATOM 378 NZ LYS A 44 5.358 12.007 18.125 1.00 3.26 N ATOM 0 H LYS A 44 2.424 11.706 13.978 1.00 0.89 H new ATOM 0 HA LYS A 44 4.920 11.979 12.921 1.00 0.89 H new ATOM 0 HB2 LYS A 44 3.494 9.892 14.544 1.00 1.01 H new ATOM 0 HB3 LYS A 44 5.058 9.444 13.892 1.00 1.01 H new ATOM 0 HG2 LYS A 44 5.338 10.316 16.143 1.00 1.53 H new ATOM 0 HG3 LYS A 44 6.092 11.409 15.000 1.00 1.53 H new ATOM 0 HD2 LYS A 44 4.059 12.862 15.067 1.00 2.16 H new ATOM 0 HD3 LYS A 44 3.333 11.777 16.236 1.00 2.16 H new ATOM 0 HE2 LYS A 44 5.883 13.395 16.614 1.00 2.63 H new ATOM 0 HE3 LYS A 44 4.334 13.702 17.374 1.00 2.63 H new ATOM 0 HZ1 LYS A 44 5.628 12.575 18.954 1.00 3.26 H new ATOM 0 HZ2 LYS A 44 4.546 11.404 18.368 1.00 3.26 H new ATOM 0 HZ3 LYS A 44 6.160 11.410 17.839 1.00 3.26 H new ATOM 392 N SER A 45 3.288 9.690 11.265 1.00 0.63 N ATOM 393 CA SER A 45 3.278 8.962 10.011 1.00 0.62 C ATOM 394 C SER A 45 1.847 8.880 9.533 1.00 0.65 C ATOM 395 O SER A 45 0.962 8.512 10.306 1.00 1.05 O ATOM 396 CB SER A 45 3.894 7.562 10.151 1.00 0.65 C ATOM 397 OG SER A 45 3.890 6.856 8.919 1.00 1.31 O ATOM 0 H SER A 45 2.410 9.643 11.782 1.00 0.63 H new ATOM 0 HA SER A 45 3.892 9.490 9.282 1.00 0.62 H new ATOM 0 HB2 SER A 45 4.917 7.651 10.515 1.00 0.65 H new ATOM 0 HB3 SER A 45 3.338 6.994 10.897 1.00 0.65 H new ATOM 0 HG SER A 45 4.291 5.971 9.048 1.00 1.31 H new ATOM 403 N THR A 46 1.621 9.224 8.281 1.00 0.43 N ATOM 404 CA THR A 46 0.275 9.292 7.753 1.00 0.42 C ATOM 405 C THR A 46 0.096 8.296 6.608 1.00 0.39 C ATOM 406 O THR A 46 0.768 8.397 5.581 1.00 0.47 O ATOM 407 CB THR A 46 -0.047 10.717 7.260 1.00 0.51 C ATOM 408 OG1 THR A 46 0.387 11.680 8.229 1.00 0.77 O ATOM 409 CG2 THR A 46 -1.539 10.884 7.024 1.00 0.64 C ATOM 0 H THR A 46 2.353 9.461 7.611 1.00 0.43 H new ATOM 0 HA THR A 46 -0.414 9.035 8.557 1.00 0.42 H new ATOM 0 HB THR A 46 0.479 10.877 6.319 1.00 0.51 H new ATOM 0 HG1 THR A 46 0.215 11.337 9.131 1.00 0.77 H new ATOM 0 HG21 THR A 46 -1.741 11.897 6.677 1.00 0.64 H new ATOM 0 HG22 THR A 46 -1.870 10.169 6.271 1.00 0.64 H new ATOM 0 HG23 THR A 46 -2.077 10.705 7.955 1.00 0.64 H new ATOM 417 N TRP A 47 -0.774 7.316 6.812 1.00 0.37 N ATOM 418 CA TRP A 47 -1.098 6.346 5.773 1.00 0.36 C ATOM 419 C TRP A 47 -2.571 6.420 5.404 1.00 0.37 C ATOM 420 O TRP A 47 -3.390 6.918 6.176 1.00 0.50 O ATOM 421 CB TRP A 47 -0.774 4.907 6.214 1.00 0.37 C ATOM 422 CG TRP A 47 0.687 4.606 6.365 1.00 0.36 C ATOM 423 CD1 TRP A 47 1.720 5.486 6.272 1.00 0.38 C ATOM 424 CD2 TRP A 47 1.272 3.329 6.636 1.00 0.37 C ATOM 425 NE1 TRP A 47 2.912 4.840 6.474 1.00 0.40 N ATOM 426 CE2 TRP A 47 2.665 3.515 6.706 1.00 0.40 C ATOM 427 CE3 TRP A 47 0.750 2.054 6.845 1.00 0.40 C ATOM 428 CZ2 TRP A 47 3.544 2.464 6.953 1.00 0.45 C ATOM 429 CZ3 TRP A 47 1.621 1.011 7.092 1.00 0.45 C ATOM 430 CH2 TRP A 47 3.005 1.222 7.155 1.00 0.47 C ATOM 0 H TRP A 47 -1.270 7.171 7.691 1.00 0.37 H new ATOM 0 HA TRP A 47 -0.485 6.598 4.908 1.00 0.36 H new ATOM 0 HB2 TRP A 47 -1.270 4.714 7.165 1.00 0.37 H new ATOM 0 HB3 TRP A 47 -1.199 4.215 5.487 1.00 0.37 H new ATOM 0 HD1 TRP A 47 1.616 6.542 6.068 1.00 0.38 H new ATOM 0 HE1 TRP A 47 3.834 5.277 6.454 1.00 0.40 H new ATOM 0 HE3 TRP A 47 -0.316 1.885 6.814 1.00 0.40 H new ATOM 0 HZ2 TRP A 47 4.612 2.623 6.984 1.00 0.45 H new ATOM 0 HZ3 TRP A 47 1.229 0.016 7.239 1.00 0.45 H new ATOM 0 HH2 TRP A 47 3.659 0.389 7.367 1.00 0.47 H new ATOM 441 N LEU A 48 -2.907 5.925 4.229 1.00 0.31 N ATOM 442 CA LEU A 48 -4.296 5.713 3.869 1.00 0.31 C ATOM 443 C LEU A 48 -4.406 4.463 3.009 1.00 0.28 C ATOM 444 O LEU A 48 -3.413 3.772 2.796 1.00 0.29 O ATOM 445 CB LEU A 48 -4.911 6.913 3.134 1.00 0.37 C ATOM 446 CG LEU A 48 -4.439 7.113 1.694 1.00 0.45 C ATOM 447 CD1 LEU A 48 -5.496 7.851 0.897 1.00 0.60 C ATOM 448 CD2 LEU A 48 -3.133 7.883 1.663 1.00 0.55 C ATOM 0 H LEU A 48 -2.237 5.662 3.506 1.00 0.31 H new ATOM 0 HA LEU A 48 -4.860 5.590 4.794 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -5.995 6.798 3.130 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -4.688 7.817 3.700 1.00 0.37 H new ATOM 0 HG LEU A 48 -4.275 6.133 1.245 1.00 0.45 H new ATOM 0 HD11 LEU A 48 -5.150 7.988 -0.127 1.00 0.60 H new ATOM 0 HD12 LEU A 48 -6.419 7.272 0.893 1.00 0.60 H new ATOM 0 HD13 LEU A 48 -5.680 8.825 1.351 1.00 0.60 H new ATOM 0 HD21 LEU A 48 -2.813 8.015 0.629 1.00 0.55 H new ATOM 0 HD22 LEU A 48 -3.275 8.859 2.127 1.00 0.55 H new ATOM 0 HD23 LEU A 48 -2.371 7.329 2.211 1.00 0.55 H new ATOM 460 N ILE A 49 -5.599 4.182 2.516 1.00 0.34 N ATOM 461 CA ILE A 49 -5.832 3.028 1.660 1.00 0.36 C ATOM 462 C ILE A 49 -6.741 3.403 0.499 1.00 0.42 C ATOM 463 O ILE A 49 -7.805 3.987 0.694 1.00 0.65 O ATOM 464 CB ILE A 49 -6.464 1.863 2.457 1.00 0.39 C ATOM 465 CG1 ILE A 49 -5.469 1.314 3.473 1.00 0.38 C ATOM 466 CG2 ILE A 49 -6.939 0.745 1.543 1.00 0.49 C ATOM 467 CD1 ILE A 49 -6.051 0.254 4.383 1.00 0.46 C ATOM 0 H ILE A 49 -6.432 4.743 2.695 1.00 0.34 H new ATOM 0 HA ILE A 49 -4.867 2.702 1.272 1.00 0.36 H new ATOM 0 HB ILE A 49 -7.334 2.261 2.980 1.00 0.39 H new ATOM 0 HG12 ILE A 49 -4.615 0.895 2.942 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -5.094 2.137 4.082 1.00 0.38 H new ATOM 0 HG21 ILE A 49 -7.376 -0.054 2.142 1.00 0.49 H new ATOM 0 HG22 ILE A 49 -7.688 1.133 0.853 1.00 0.49 H new ATOM 0 HG23 ILE A 49 -6.093 0.353 0.978 1.00 0.49 H new ATOM 0 HD11 ILE A 49 -5.285 -0.089 5.078 1.00 0.46 H new ATOM 0 HD12 ILE A 49 -6.887 0.674 4.942 1.00 0.46 H new ATOM 0 HD13 ILE A 49 -6.401 -0.587 3.785 1.00 0.46 H new ATOM 479 N LEU A 50 -6.300 3.082 -0.702 1.00 0.41 N ATOM 480 CA LEU A 50 -7.105 3.284 -1.892 1.00 0.53 C ATOM 481 C LEU A 50 -7.370 1.935 -2.539 1.00 0.78 C ATOM 482 O LEU A 50 -6.570 1.472 -3.355 1.00 1.77 O ATOM 483 CB LEU A 50 -6.406 4.218 -2.885 1.00 0.49 C ATOM 484 CG LEU A 50 -6.211 5.671 -2.429 1.00 0.49 C ATOM 485 CD1 LEU A 50 -5.575 6.483 -3.546 1.00 0.93 C ATOM 486 CD2 LEU A 50 -7.537 6.291 -2.020 1.00 0.99 C ATOM 0 H LEU A 50 -5.381 2.677 -0.880 1.00 0.41 H new ATOM 0 HA LEU A 50 -8.046 3.754 -1.606 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -5.428 3.798 -3.119 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -6.980 4.224 -3.812 1.00 0.49 H new ATOM 0 HG LEU A 50 -5.550 5.676 -1.562 1.00 0.49 H new ATOM 0 HD11 LEU A 50 -5.440 7.513 -3.216 1.00 0.93 H new ATOM 0 HD12 LEU A 50 -4.606 6.054 -3.802 1.00 0.93 H new ATOM 0 HD13 LEU A 50 -6.222 6.465 -4.423 1.00 0.93 H new ATOM 0 HD21 LEU A 50 -7.374 7.320 -1.701 1.00 0.99 H new ATOM 0 HD22 LEU A 50 -8.222 6.278 -2.868 1.00 0.99 H new ATOM 0 HD23 LEU A 50 -7.967 5.720 -1.198 1.00 0.99 H new ATOM 498 N HIS A 51 -8.475 1.301 -2.159 1.00 0.67 N ATOM 499 CA HIS A 51 -8.840 -0.011 -2.690 1.00 0.73 C ATOM 500 C HIS A 51 -7.843 -1.073 -2.231 1.00 0.82 C ATOM 501 O HIS A 51 -7.126 -1.648 -3.051 1.00 1.80 O ATOM 502 CB HIS A 51 -8.920 0.002 -4.224 1.00 0.79 C ATOM 503 CG HIS A 51 -10.052 0.820 -4.785 1.00 1.23 C ATOM 504 ND1 HIS A 51 -11.140 0.262 -5.429 1.00 1.87 N ATOM 505 CD2 HIS A 51 -10.256 2.157 -4.808 1.00 1.56 C ATOM 506 CE1 HIS A 51 -11.954 1.226 -5.822 1.00 2.45 C ATOM 507 NE2 HIS A 51 -11.444 2.383 -5.455 1.00 2.30 N ATOM 0 H HIS A 51 -9.138 1.676 -1.481 1.00 0.67 H new ATOM 0 HA HIS A 51 -9.828 -0.256 -2.301 1.00 0.73 H new ATOM 0 HB2 HIS A 51 -7.980 0.386 -4.621 1.00 0.79 H new ATOM 0 HB3 HIS A 51 -9.020 -1.024 -4.578 1.00 0.79 H new ATOM 0 HD2 HIS A 51 -9.602 2.910 -4.392 1.00 1.56 H new ATOM 0 HE1 HIS A 51 -12.883 1.088 -6.355 1.00 2.45 H new ATOM 0 HE2 HIS A 51 -11.864 3.297 -5.624 1.00 2.30 H new ATOM 516 N HIS A 52 -7.777 -1.282 -0.915 1.00 0.46 N ATOM 517 CA HIS A 52 -6.931 -2.324 -0.308 1.00 0.42 C ATOM 518 C HIS A 52 -5.442 -1.944 -0.264 1.00 0.43 C ATOM 519 O HIS A 52 -4.732 -2.343 0.657 1.00 0.81 O ATOM 520 CB HIS A 52 -7.111 -3.665 -1.029 1.00 0.58 C ATOM 521 CG HIS A 52 -8.507 -4.204 -0.953 1.00 1.12 C ATOM 522 ND1 HIS A 52 -9.142 -4.803 -2.017 1.00 1.75 N ATOM 523 CD2 HIS A 52 -9.394 -4.230 0.073 1.00 1.81 C ATOM 524 CE1 HIS A 52 -10.357 -5.171 -1.653 1.00 2.34 C ATOM 525 NE2 HIS A 52 -10.539 -4.835 -0.388 1.00 2.36 N ATOM 0 H HIS A 52 -8.307 -0.736 -0.235 1.00 0.46 H new ATOM 0 HA HIS A 52 -7.266 -2.421 0.725 1.00 0.42 H new ATOM 0 HB2 HIS A 52 -6.833 -3.545 -2.076 1.00 0.58 H new ATOM 0 HB3 HIS A 52 -6.425 -4.394 -0.599 1.00 0.58 H new ATOM 0 HD2 HIS A 52 -9.231 -3.846 1.069 1.00 1.81 H new ATOM 0 HE1 HIS A 52 -11.081 -5.664 -2.284 1.00 2.34 H new ATOM 0 HE2 HIS A 52 -11.387 -4.997 0.155 1.00 2.36 H new ATOM 534 N LYS A 53 -4.960 -1.191 -1.248 1.00 0.33 N ATOM 535 CA LYS A 53 -3.552 -0.811 -1.270 1.00 0.36 C ATOM 536 C LYS A 53 -3.293 0.351 -0.316 1.00 0.29 C ATOM 537 O LYS A 53 -4.011 1.350 -0.349 1.00 0.32 O ATOM 538 CB LYS A 53 -3.101 -0.445 -2.689 1.00 0.45 C ATOM 539 CG LYS A 53 -3.166 -1.607 -3.670 1.00 0.66 C ATOM 540 CD LYS A 53 -2.830 -1.172 -5.089 1.00 0.95 C ATOM 541 CE LYS A 53 -2.947 -2.326 -6.077 1.00 1.25 C ATOM 542 NZ LYS A 53 -1.933 -3.382 -5.821 1.00 1.76 N ATOM 0 H LYS A 53 -5.513 -0.837 -2.028 1.00 0.33 H new ATOM 0 HA LYS A 53 -2.969 -1.671 -0.939 1.00 0.36 H new ATOM 0 HB2 LYS A 53 -3.725 0.368 -3.061 1.00 0.45 H new ATOM 0 HB3 LYS A 53 -2.078 -0.070 -2.650 1.00 0.45 H new ATOM 0 HG2 LYS A 53 -2.472 -2.387 -3.356 1.00 0.66 H new ATOM 0 HG3 LYS A 53 -4.165 -2.043 -3.651 1.00 0.66 H new ATOM 0 HD2 LYS A 53 -3.499 -0.366 -5.390 1.00 0.95 H new ATOM 0 HD3 LYS A 53 -1.817 -0.772 -5.116 1.00 0.95 H new ATOM 0 HE2 LYS A 53 -3.945 -2.759 -6.013 1.00 1.25 H new ATOM 0 HE3 LYS A 53 -2.828 -1.948 -7.092 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 -1.873 -4.013 -6.645 1.00 1.76 H new ATOM 0 HZ2 LYS A 53 -1.006 -2.940 -5.655 1.00 1.76 H new ATOM 0 HZ3 LYS A 53 -2.209 -3.932 -4.983 1.00 1.76 H new ATOM 556 N VAL A 54 -2.266 0.222 0.516 1.00 0.27 N ATOM 557 CA VAL A 54 -1.935 1.249 1.498 1.00 0.25 C ATOM 558 C VAL A 54 -0.975 2.276 0.895 1.00 0.23 C ATOM 559 O VAL A 54 -0.081 1.931 0.114 1.00 0.25 O ATOM 560 CB VAL A 54 -1.313 0.637 2.780 1.00 0.28 C ATOM 561 CG1 VAL A 54 -0.014 -0.090 2.486 1.00 0.30 C ATOM 562 CG2 VAL A 54 -1.085 1.696 3.847 1.00 0.32 C ATOM 0 H VAL A 54 -1.645 -0.587 0.530 1.00 0.27 H new ATOM 0 HA VAL A 54 -2.865 1.744 1.777 1.00 0.25 H new ATOM 0 HB VAL A 54 -2.032 -0.090 3.159 1.00 0.28 H new ATOM 0 HG11 VAL A 54 0.389 -0.504 3.411 1.00 0.30 H new ATOM 0 HG12 VAL A 54 -0.201 -0.898 1.778 1.00 0.30 H new ATOM 0 HG13 VAL A 54 0.705 0.608 2.058 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -0.648 1.233 4.732 1.00 0.32 H new ATOM 0 HG22 VAL A 54 -0.406 2.458 3.464 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -2.037 2.157 4.111 1.00 0.32 H new ATOM 572 N TYR A 55 -1.175 3.536 1.248 1.00 0.23 N ATOM 573 CA TYR A 55 -0.315 4.612 0.775 1.00 0.25 C ATOM 574 C TYR A 55 0.326 5.330 1.951 1.00 0.27 C ATOM 575 O TYR A 55 -0.264 5.404 3.025 1.00 0.35 O ATOM 576 CB TYR A 55 -1.099 5.627 -0.064 1.00 0.27 C ATOM 577 CG TYR A 55 -1.625 5.099 -1.380 1.00 0.27 C ATOM 578 CD1 TYR A 55 -2.651 4.166 -1.416 1.00 0.83 C ATOM 579 CD2 TYR A 55 -1.100 5.543 -2.585 1.00 0.74 C ATOM 580 CE1 TYR A 55 -3.138 3.691 -2.616 1.00 0.85 C ATOM 581 CE2 TYR A 55 -1.582 5.072 -3.788 1.00 0.77 C ATOM 582 CZ TYR A 55 -2.600 4.147 -3.799 1.00 0.42 C ATOM 583 OH TYR A 55 -3.085 3.675 -4.998 1.00 0.49 O ATOM 0 H TYR A 55 -1.929 3.841 1.864 1.00 0.23 H new ATOM 0 HA TYR A 55 0.457 4.163 0.150 1.00 0.25 H new ATOM 0 HB2 TYR A 55 -1.940 5.991 0.526 1.00 0.27 H new ATOM 0 HB3 TYR A 55 -0.456 6.484 -0.265 1.00 0.27 H new ATOM 0 HD1 TYR A 55 -3.075 3.806 -0.490 1.00 0.83 H new ATOM 0 HD2 TYR A 55 -0.301 6.269 -2.581 1.00 0.74 H new ATOM 0 HE1 TYR A 55 -3.937 2.965 -2.628 1.00 0.85 H new ATOM 0 HE2 TYR A 55 -1.162 5.428 -4.717 1.00 0.77 H new ATOM 0 HH TYR A 55 -2.599 4.097 -5.737 1.00 0.49 H new ATOM 593 N ASP A 56 1.514 5.869 1.740 1.00 0.34 N ATOM 594 CA ASP A 56 2.153 6.724 2.736 1.00 0.38 C ATOM 595 C ASP A 56 2.244 8.139 2.191 1.00 0.38 C ATOM 596 O ASP A 56 2.381 8.330 0.982 1.00 0.48 O ATOM 597 CB ASP A 56 3.548 6.198 3.117 1.00 0.47 C ATOM 598 CG ASP A 56 4.316 7.143 4.033 1.00 0.63 C ATOM 599 OD1 ASP A 56 4.116 7.086 5.262 1.00 0.94 O ATOM 600 OD2 ASP A 56 5.136 7.935 3.524 1.00 1.32 O ATOM 0 H ASP A 56 2.059 5.732 0.889 1.00 0.34 H new ATOM 0 HA ASP A 56 1.549 6.719 3.643 1.00 0.38 H new ATOM 0 HB2 ASP A 56 3.443 5.231 3.609 1.00 0.47 H new ATOM 0 HB3 ASP A 56 4.127 6.032 2.209 1.00 0.47 H new ATOM 605 N LEU A 57 2.132 9.135 3.050 1.00 0.37 N ATOM 606 CA LEU A 57 2.282 10.502 2.583 1.00 0.39 C ATOM 607 C LEU A 57 3.573 11.108 3.115 1.00 0.51 C ATOM 608 O LEU A 57 4.462 11.440 2.336 1.00 1.12 O ATOM 609 CB LEU A 57 1.090 11.397 2.961 1.00 0.45 C ATOM 610 CG LEU A 57 -0.302 10.941 2.485 1.00 0.53 C ATOM 611 CD1 LEU A 57 -0.277 10.429 1.049 1.00 1.35 C ATOM 612 CD2 LEU A 57 -0.887 9.894 3.417 1.00 1.27 C ATOM 0 H LEU A 57 1.943 9.031 4.047 1.00 0.37 H new ATOM 0 HA LEU A 57 2.318 10.456 1.495 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.064 11.487 4.047 1.00 0.45 H new ATOM 0 HB3 LEU A 57 1.275 12.395 2.562 1.00 0.45 H new ATOM 0 HG LEU A 57 -0.947 11.820 2.508 1.00 0.53 H new ATOM 0 HD11 LEU A 57 -1.280 10.118 0.756 1.00 1.35 H new ATOM 0 HD12 LEU A 57 0.065 11.223 0.385 1.00 1.35 H new ATOM 0 HD13 LEU A 57 0.401 9.579 0.978 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -1.870 9.592 3.054 1.00 1.27 H new ATOM 0 HD22 LEU A 57 -0.229 9.026 3.447 1.00 1.27 H new ATOM 0 HD23 LEU A 57 -0.983 10.312 4.419 1.00 1.27 H new ATOM 624 N THR A 58 3.650 11.213 4.450 1.00 0.54 N ATOM 625 CA THR A 58 4.792 11.803 5.175 1.00 0.56 C ATOM 626 C THR A 58 5.271 13.130 4.578 1.00 0.66 C ATOM 627 O THR A 58 4.906 14.199 5.059 1.00 1.15 O ATOM 628 CB THR A 58 5.982 10.825 5.304 1.00 0.65 C ATOM 629 OG1 THR A 58 6.293 10.231 4.038 1.00 1.43 O ATOM 630 CG2 THR A 58 5.681 9.741 6.323 1.00 1.12 C ATOM 0 H THR A 58 2.909 10.885 5.070 1.00 0.54 H new ATOM 0 HA THR A 58 4.406 12.011 6.173 1.00 0.56 H new ATOM 0 HB THR A 58 6.846 11.396 5.644 1.00 0.65 H new ATOM 0 HG1 THR A 58 5.741 9.432 3.907 1.00 1.43 H new ATOM 0 HG21 THR A 58 6.532 9.065 6.397 1.00 1.12 H new ATOM 0 HG22 THR A 58 5.495 10.197 7.295 1.00 1.12 H new ATOM 0 HG23 THR A 58 4.799 9.182 6.010 1.00 1.12 H new ATOM 638 N LYS A 59 6.087 13.054 3.537 1.00 0.57 N ATOM 639 CA LYS A 59 6.566 14.239 2.838 1.00 0.58 C ATOM 640 C LYS A 59 5.395 14.969 2.176 1.00 0.48 C ATOM 641 O LYS A 59 5.347 16.200 2.116 1.00 0.54 O ATOM 642 CB LYS A 59 7.597 13.823 1.786 1.00 0.69 C ATOM 643 CG LYS A 59 8.880 13.268 2.387 1.00 1.37 C ATOM 644 CD LYS A 59 9.823 12.718 1.323 1.00 1.96 C ATOM 645 CE LYS A 59 9.234 11.500 0.626 1.00 2.58 C ATOM 646 NZ LYS A 59 10.112 11.007 -0.471 1.00 3.59 N ATOM 0 H LYS A 59 6.435 12.175 3.154 1.00 0.57 H new ATOM 0 HA LYS A 59 7.035 14.917 3.551 1.00 0.58 H new ATOM 0 HB2 LYS A 59 7.155 13.071 1.132 1.00 0.69 H new ATOM 0 HB3 LYS A 59 7.839 14.685 1.164 1.00 0.69 H new ATOM 0 HG2 LYS A 59 9.386 14.054 2.948 1.00 1.37 H new ATOM 0 HG3 LYS A 59 8.635 12.478 3.096 1.00 1.37 H new ATOM 0 HD2 LYS A 59 10.032 13.493 0.586 1.00 1.96 H new ATOM 0 HD3 LYS A 59 10.774 12.450 1.783 1.00 1.96 H new ATOM 0 HE2 LYS A 59 9.082 10.704 1.354 1.00 2.58 H new ATOM 0 HE3 LYS A 59 8.254 11.753 0.221 1.00 2.58 H new ATOM 0 HZ1 LYS A 59 9.674 10.177 -0.919 1.00 3.59 H new ATOM 0 HZ2 LYS A 59 10.237 11.758 -1.180 1.00 3.59 H new ATOM 0 HZ3 LYS A 59 11.039 10.741 -0.081 1.00 3.59 H new ATOM 660 N PHE A 60 4.445 14.161 1.704 1.00 0.40 N ATOM 661 CA PHE A 60 3.350 14.604 0.840 1.00 0.35 C ATOM 662 C PHE A 60 2.349 15.533 1.546 1.00 0.36 C ATOM 663 O PHE A 60 1.496 16.153 0.911 1.00 0.40 O ATOM 664 CB PHE A 60 2.634 13.366 0.279 1.00 0.37 C ATOM 665 CG PHE A 60 1.760 13.637 -0.906 1.00 0.76 C ATOM 666 CD1 PHE A 60 2.242 14.356 -1.987 1.00 1.62 C ATOM 667 CD2 PHE A 60 0.463 13.158 -0.947 1.00 1.40 C ATOM 668 CE1 PHE A 60 1.444 14.589 -3.092 1.00 2.01 C ATOM 669 CE2 PHE A 60 -0.339 13.388 -2.049 1.00 1.72 C ATOM 670 CZ PHE A 60 0.150 14.106 -3.123 1.00 1.72 C ATOM 0 H PHE A 60 4.414 13.164 1.915 1.00 0.40 H new ATOM 0 HA PHE A 60 3.784 15.197 0.035 1.00 0.35 H new ATOM 0 HB2 PHE A 60 3.383 12.624 0.000 1.00 0.37 H new ATOM 0 HB3 PHE A 60 2.027 12.924 1.069 1.00 0.37 H new ATOM 0 HD1 PHE A 60 3.252 14.739 -1.967 1.00 1.62 H new ATOM 0 HD2 PHE A 60 0.073 12.599 -0.109 1.00 1.40 H new ATOM 0 HE1 PHE A 60 1.832 15.148 -3.930 1.00 2.01 H new ATOM 0 HE2 PHE A 60 -1.349 13.006 -2.070 1.00 1.72 H new ATOM 0 HZ PHE A 60 -0.477 14.289 -3.983 1.00 1.72 H new ATOM 680 N LEU A 61 2.465 15.563 2.889 1.00 0.38 N ATOM 681 CA LEU A 61 1.502 16.232 3.775 1.00 0.44 C ATOM 682 C LEU A 61 1.302 17.692 3.421 1.00 0.47 C ATOM 683 O LEU A 61 0.206 18.220 3.581 1.00 0.60 O ATOM 684 CB LEU A 61 1.973 16.158 5.229 1.00 0.50 C ATOM 685 CG LEU A 61 2.141 14.754 5.803 1.00 0.56 C ATOM 686 CD1 LEU A 61 2.599 14.834 7.250 1.00 0.72 C ATOM 687 CD2 LEU A 61 0.846 13.962 5.695 1.00 0.61 C ATOM 0 H LEU A 61 3.236 15.120 3.389 1.00 0.38 H new ATOM 0 HA LEU A 61 0.555 15.708 3.645 1.00 0.44 H new ATOM 0 HB2 LEU A 61 2.927 16.679 5.309 1.00 0.50 H new ATOM 0 HB3 LEU A 61 1.260 16.701 5.850 1.00 0.50 H new ATOM 0 HG LEU A 61 2.901 14.233 5.221 1.00 0.56 H new ATOM 0 HD11 LEU A 61 2.716 13.827 7.651 1.00 0.72 H new ATOM 0 HD12 LEU A 61 3.553 15.358 7.301 1.00 0.72 H new ATOM 0 HD13 LEU A 61 1.856 15.374 7.837 1.00 0.72 H new ATOM 0 HD21 LEU A 61 0.993 12.965 6.111 1.00 0.61 H new ATOM 0 HD22 LEU A 61 0.059 14.474 6.249 1.00 0.61 H new ATOM 0 HD23 LEU A 61 0.557 13.879 4.647 1.00 0.61 H new ATOM 699 N GLU A 62 2.388 18.338 3.000 1.00 0.46 N ATOM 700 CA GLU A 62 2.377 19.757 2.658 1.00 0.55 C ATOM 701 C GLU A 62 2.409 19.959 1.142 1.00 0.53 C ATOM 702 O GLU A 62 2.462 21.086 0.651 1.00 0.72 O ATOM 703 CB GLU A 62 3.592 20.439 3.296 1.00 0.68 C ATOM 704 CG GLU A 62 4.927 19.875 2.827 1.00 0.99 C ATOM 705 CD GLU A 62 6.107 20.570 3.471 1.00 1.22 C ATOM 706 OE1 GLU A 62 6.521 21.638 2.967 1.00 1.60 O ATOM 707 OE2 GLU A 62 6.627 20.057 4.483 1.00 1.62 O ATOM 0 H GLU A 62 3.298 17.892 2.887 1.00 0.46 H new ATOM 0 HA GLU A 62 1.457 20.200 3.039 1.00 0.55 H new ATOM 0 HB2 GLU A 62 3.559 21.505 3.071 1.00 0.68 H new ATOM 0 HB3 GLU A 62 3.526 20.340 4.379 1.00 0.68 H new ATOM 0 HG2 GLU A 62 4.968 18.810 3.055 1.00 0.99 H new ATOM 0 HG3 GLU A 62 4.999 19.972 1.744 1.00 0.99 H new ATOM 714 N GLU A 63 2.387 18.849 0.416 1.00 0.42 N ATOM 715 CA GLU A 63 2.624 18.836 -1.027 1.00 0.48 C ATOM 716 C GLU A 63 1.320 18.565 -1.779 1.00 0.46 C ATOM 717 O GLU A 63 1.254 18.667 -3.008 1.00 0.66 O ATOM 718 CB GLU A 63 3.668 17.748 -1.307 1.00 0.59 C ATOM 719 CG GLU A 63 4.195 17.689 -2.731 1.00 1.05 C ATOM 720 CD GLU A 63 5.374 16.743 -2.851 1.00 1.31 C ATOM 721 OE1 GLU A 63 5.161 15.515 -2.833 1.00 1.83 O ATOM 722 OE2 GLU A 63 6.525 17.228 -2.969 1.00 2.03 O ATOM 0 H GLU A 63 2.204 17.926 0.811 1.00 0.42 H new ATOM 0 HA GLU A 63 2.992 19.803 -1.371 1.00 0.48 H new ATOM 0 HB2 GLU A 63 4.512 17.898 -0.633 1.00 0.59 H new ATOM 0 HB3 GLU A 63 3.232 16.780 -1.061 1.00 0.59 H new ATOM 0 HG2 GLU A 63 3.399 17.366 -3.401 1.00 1.05 H new ATOM 0 HG3 GLU A 63 4.495 18.687 -3.050 1.00 1.05 H new ATOM 729 N HIS A 64 0.287 18.217 -1.012 1.00 0.33 N ATOM 730 CA HIS A 64 -1.044 17.950 -1.541 1.00 0.32 C ATOM 731 C HIS A 64 -1.979 19.110 -1.193 1.00 0.42 C ATOM 732 O HIS A 64 -2.016 19.546 -0.042 1.00 0.52 O ATOM 733 CB HIS A 64 -1.567 16.637 -0.951 1.00 0.38 C ATOM 734 CG HIS A 64 -2.940 16.142 -1.380 1.00 0.36 C ATOM 735 ND1 HIS A 64 -4.098 16.401 -0.677 1.00 0.44 N ATOM 736 CD2 HIS A 64 -3.277 15.335 -2.449 1.00 0.34 C ATOM 737 CE1 HIS A 64 -5.114 15.763 -1.292 1.00 0.43 C ATOM 738 NE2 HIS A 64 -4.650 15.111 -2.363 1.00 0.36 N ATOM 0 H HIS A 64 0.354 18.113 0.000 1.00 0.33 H new ATOM 0 HA HIS A 64 -1.001 17.856 -2.626 1.00 0.32 H new ATOM 0 HB2 HIS A 64 -0.844 15.856 -1.189 1.00 0.38 H new ATOM 0 HB3 HIS A 64 -1.577 16.742 0.134 1.00 0.38 H new ATOM 0 HD1 HIS A 64 -4.173 16.976 0.162 1.00 0.44 H new ATOM 0 HD2 HIS A 64 -2.607 14.952 -3.205 1.00 0.34 H new ATOM 0 HE1 HIS A 64 -6.145 15.777 -0.969 1.00 0.43 H new ATOM 746 N PRO A 65 -2.738 19.618 -2.190 1.00 0.51 N ATOM 747 CA PRO A 65 -3.607 20.805 -2.041 1.00 0.73 C ATOM 748 C PRO A 65 -4.513 20.745 -0.805 1.00 0.90 C ATOM 749 O PRO A 65 -4.294 21.453 0.183 1.00 1.46 O ATOM 750 CB PRO A 65 -4.451 20.802 -3.333 1.00 0.96 C ATOM 751 CG PRO A 65 -4.195 19.480 -3.983 1.00 0.81 C ATOM 752 CD PRO A 65 -2.821 19.065 -3.547 1.00 0.55 C ATOM 0 HA PRO A 65 -3.017 21.710 -1.899 1.00 0.73 H new ATOM 0 HB2 PRO A 65 -5.510 20.929 -3.109 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -4.164 21.623 -3.990 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -4.940 18.745 -3.679 1.00 0.81 H new ATOM 0 HG3 PRO A 65 -4.252 19.561 -5.068 1.00 0.81 H new ATOM 0 HD2 PRO A 65 -2.704 17.981 -3.551 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -2.048 19.472 -4.199 1.00 0.55 H new ATOM 760 N GLY A 66 -5.521 19.888 -0.855 1.00 1.08 N ATOM 761 CA GLY A 66 -6.415 19.722 0.271 1.00 1.38 C ATOM 762 C GLY A 66 -5.932 18.643 1.210 1.00 1.38 C ATOM 763 O GLY A 66 -6.633 17.663 1.447 1.00 2.03 O ATOM 0 H GLY A 66 -5.737 19.301 -1.661 1.00 1.08 H new ATOM 0 HA2 GLY A 66 -6.499 20.665 0.812 1.00 1.38 H new ATOM 0 HA3 GLY A 66 -7.413 19.471 -0.090 1.00 1.38 H new ATOM 767 N GLY A 67 -4.735 18.820 1.747 1.00 1.25 N ATOM 768 CA GLY A 67 -4.147 17.787 2.569 1.00 1.70 C ATOM 769 C GLY A 67 -4.009 18.180 4.021 1.00 1.24 C ATOM 770 O GLY A 67 -4.631 19.144 4.475 1.00 1.66 O ATOM 0 H GLY A 67 -4.163 19.656 1.629 1.00 1.25 H new ATOM 0 HA2 GLY A 67 -4.758 16.887 2.501 1.00 1.70 H new ATOM 0 HA3 GLY A 67 -3.163 17.535 2.174 1.00 1.70 H new ATOM 774 N GLU A 68 -3.178 17.421 4.732 1.00 1.38 N ATOM 775 CA GLU A 68 -2.950 17.579 6.165 1.00 1.18 C ATOM 776 C GLU A 68 -4.253 17.438 6.961 1.00 0.94 C ATOM 777 O GLU A 68 -4.598 16.354 7.436 1.00 0.98 O ATOM 778 CB GLU A 68 -2.266 18.913 6.470 1.00 1.50 C ATOM 779 CG GLU A 68 -1.759 18.980 7.895 1.00 1.48 C ATOM 780 CD GLU A 68 -1.167 20.315 8.257 1.00 2.09 C ATOM 781 OE1 GLU A 68 -1.939 21.261 8.501 1.00 2.88 O ATOM 782 OE2 GLU A 68 0.073 20.435 8.259 1.00 2.25 O ATOM 0 H GLU A 68 -2.634 16.664 4.319 1.00 1.38 H new ATOM 0 HA GLU A 68 -2.283 16.777 6.479 1.00 1.18 H new ATOM 0 HB2 GLU A 68 -1.433 19.059 5.782 1.00 1.50 H new ATOM 0 HB3 GLU A 68 -2.969 19.728 6.297 1.00 1.50 H new ATOM 0 HG2 GLU A 68 -2.581 18.759 8.576 1.00 1.48 H new ATOM 0 HG3 GLU A 68 -1.006 18.205 8.042 1.00 1.48 H new ATOM 789 N GLU A 69 -4.975 18.553 7.067 1.00 0.91 N ATOM 790 CA GLU A 69 -6.226 18.626 7.812 1.00 0.84 C ATOM 791 C GLU A 69 -7.278 17.758 7.138 1.00 0.75 C ATOM 792 O GLU A 69 -7.906 16.916 7.771 1.00 0.78 O ATOM 793 CB GLU A 69 -6.710 20.078 7.869 1.00 0.97 C ATOM 794 CG GLU A 69 -7.915 20.289 8.776 1.00 1.64 C ATOM 795 CD GLU A 69 -7.594 20.118 10.250 1.00 1.97 C ATOM 796 OE1 GLU A 69 -7.143 19.021 10.642 1.00 2.63 O ATOM 797 OE2 GLU A 69 -7.798 21.083 11.021 1.00 2.27 O ATOM 0 H GLU A 69 -4.704 19.436 6.634 1.00 0.91 H new ATOM 0 HA GLU A 69 -6.061 18.264 8.827 1.00 0.84 H new ATOM 0 HB2 GLU A 69 -5.892 20.711 8.214 1.00 0.97 H new ATOM 0 HB3 GLU A 69 -6.964 20.406 6.861 1.00 0.97 H new ATOM 0 HG2 GLU A 69 -8.314 21.290 8.612 1.00 1.64 H new ATOM 0 HG3 GLU A 69 -8.698 19.584 8.498 1.00 1.64 H new ATOM 804 N VAL A 70 -7.444 17.958 5.834 1.00 0.79 N ATOM 805 CA VAL A 70 -8.386 17.172 5.049 1.00 0.86 C ATOM 806 C VAL A 70 -7.656 15.967 4.458 1.00 0.82 C ATOM 807 O VAL A 70 -7.927 15.514 3.353 1.00 1.01 O ATOM 808 CB VAL A 70 -9.061 18.018 3.936 1.00 1.09 C ATOM 809 CG1 VAL A 70 -10.252 17.286 3.328 1.00 1.96 C ATOM 810 CG2 VAL A 70 -9.509 19.366 4.483 1.00 1.41 C ATOM 0 H VAL A 70 -6.935 18.661 5.298 1.00 0.79 H new ATOM 0 HA VAL A 70 -9.186 16.829 5.704 1.00 0.86 H new ATOM 0 HB VAL A 70 -8.320 18.179 3.153 1.00 1.09 H new ATOM 0 HG11 VAL A 70 -10.702 17.905 2.552 1.00 1.96 H new ATOM 0 HG12 VAL A 70 -9.917 16.345 2.892 1.00 1.96 H new ATOM 0 HG13 VAL A 70 -10.990 17.084 4.104 1.00 1.96 H new ATOM 0 HG21 VAL A 70 -9.979 19.943 3.687 1.00 1.41 H new ATOM 0 HG22 VAL A 70 -10.224 19.211 5.291 1.00 1.41 H new ATOM 0 HG23 VAL A 70 -8.644 19.910 4.863 1.00 1.41 H new ATOM 820 N LEU A 71 -6.697 15.476 5.223 1.00 0.72 N ATOM 821 CA LEU A 71 -5.992 14.249 4.898 1.00 0.74 C ATOM 822 C LEU A 71 -6.116 13.298 6.079 1.00 0.70 C ATOM 823 O LEU A 71 -6.450 12.125 5.932 1.00 0.77 O ATOM 824 CB LEU A 71 -4.522 14.545 4.596 1.00 0.84 C ATOM 825 CG LEU A 71 -3.658 13.325 4.289 1.00 1.10 C ATOM 826 CD1 LEU A 71 -4.200 12.566 3.086 1.00 1.62 C ATOM 827 CD2 LEU A 71 -2.218 13.746 4.052 1.00 1.69 C ATOM 0 H LEU A 71 -6.385 15.917 6.088 1.00 0.72 H new ATOM 0 HA LEU A 71 -6.428 13.792 4.010 1.00 0.74 H new ATOM 0 HB2 LEU A 71 -4.473 15.227 3.747 1.00 0.84 H new ATOM 0 HB3 LEU A 71 -4.092 15.068 5.450 1.00 0.84 H new ATOM 0 HG LEU A 71 -3.688 12.657 5.150 1.00 1.10 H new ATOM 0 HD11 LEU A 71 -3.568 11.701 2.887 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -5.217 12.232 3.294 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -4.204 13.221 2.215 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -1.613 12.866 3.834 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -2.174 14.434 3.208 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -1.832 14.240 4.944 1.00 1.69 H new ATOM 839 N ARG A 72 -5.851 13.858 7.267 1.00 0.70 N ATOM 840 CA ARG A 72 -5.943 13.141 8.542 1.00 0.78 C ATOM 841 C ARG A 72 -7.348 12.567 8.768 1.00 0.92 C ATOM 842 O ARG A 72 -7.544 11.635 9.547 1.00 1.03 O ATOM 843 CB ARG A 72 -5.577 14.081 9.691 1.00 0.77 C ATOM 844 CG ARG A 72 -6.707 15.005 10.082 1.00 1.42 C ATOM 845 CD ARG A 72 -6.467 15.658 11.434 1.00 1.49 C ATOM 846 NE ARG A 72 -5.605 16.839 11.340 1.00 2.11 N ATOM 847 CZ ARG A 72 -4.494 17.011 12.059 1.00 2.48 C ATOM 848 NH1 ARG A 72 -4.055 16.034 12.846 1.00 2.24 N ATOM 849 NH2 ARG A 72 -3.795 18.138 11.954 1.00 3.47 N ATOM 0 H ARG A 72 -5.564 14.831 7.369 1.00 0.70 H new ATOM 0 HA ARG A 72 -5.242 12.307 8.509 1.00 0.78 H new ATOM 0 HB2 ARG A 72 -5.283 13.489 10.558 1.00 0.77 H new ATOM 0 HB3 ARG A 72 -4.711 14.677 9.403 1.00 0.77 H new ATOM 0 HG2 ARG A 72 -6.823 15.777 9.322 1.00 1.42 H new ATOM 0 HG3 ARG A 72 -7.641 14.444 10.111 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -7.424 15.944 11.871 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -6.012 14.933 12.109 1.00 1.49 H new ATOM 0 HE ARG A 72 -5.870 17.575 10.685 1.00 2.11 H new ATOM 0 HH11 ARG A 72 -4.567 15.154 12.900 1.00 2.24 H new ATOM 0 HH12 ARG A 72 -3.206 16.165 13.396 1.00 2.24 H new ATOM 0 HH21 ARG A 72 -4.108 18.875 11.322 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -2.946 18.265 12.506 1.00 3.47 H new ATOM 863 N GLU A 73 -8.308 13.200 8.084 1.00 1.13 N ATOM 864 CA GLU A 73 -9.724 12.831 8.094 1.00 1.55 C ATOM 865 C GLU A 73 -9.917 11.421 7.553 1.00 1.28 C ATOM 866 O GLU A 73 -10.815 10.692 7.969 1.00 1.60 O ATOM 867 CB GLU A 73 -10.474 13.830 7.203 1.00 1.97 C ATOM 868 CG GLU A 73 -11.974 13.608 7.127 1.00 2.63 C ATOM 869 CD GLU A 73 -12.700 14.086 8.363 1.00 3.18 C ATOM 870 OE1 GLU A 73 -12.822 15.313 8.540 1.00 3.55 O ATOM 871 OE2 GLU A 73 -13.162 13.241 9.157 1.00 3.65 O ATOM 0 H GLU A 73 -8.113 14.007 7.491 1.00 1.13 H new ATOM 0 HA GLU A 73 -10.105 12.856 9.115 1.00 1.55 H new ATOM 0 HB2 GLU A 73 -10.288 14.838 7.573 1.00 1.97 H new ATOM 0 HB3 GLU A 73 -10.061 13.779 6.196 1.00 1.97 H new ATOM 0 HG2 GLU A 73 -12.370 14.128 6.255 1.00 2.63 H new ATOM 0 HG3 GLU A 73 -12.173 12.546 6.982 1.00 2.63 H new ATOM 878 N GLN A 74 -9.070 11.070 6.601 1.00 0.77 N ATOM 879 CA GLN A 74 -9.174 9.810 5.890 1.00 0.62 C ATOM 880 C GLN A 74 -8.000 8.894 6.220 1.00 0.56 C ATOM 881 O GLN A 74 -7.988 7.717 5.856 1.00 0.64 O ATOM 882 CB GLN A 74 -9.208 10.084 4.392 1.00 0.63 C ATOM 883 CG GLN A 74 -10.440 10.849 3.937 1.00 0.76 C ATOM 884 CD GLN A 74 -11.736 10.148 4.310 1.00 1.00 C ATOM 885 OE1 GLN A 74 -11.788 8.923 4.405 1.00 1.57 O ATOM 886 NE2 GLN A 74 -12.791 10.921 4.509 1.00 1.68 N ATOM 0 H GLN A 74 -8.289 11.653 6.299 1.00 0.77 H new ATOM 0 HA GLN A 74 -10.091 9.309 6.200 1.00 0.62 H new ATOM 0 HB2 GLN A 74 -8.318 10.649 4.115 1.00 0.63 H new ATOM 0 HB3 GLN A 74 -9.163 9.135 3.857 1.00 0.63 H new ATOM 0 HG2 GLN A 74 -10.429 11.844 4.381 1.00 0.76 H new ATOM 0 HG3 GLN A 74 -10.402 10.982 2.856 1.00 0.76 H new ATOM 0 HE21 GLN A 74 -12.705 11.934 4.420 1.00 1.68 H new ATOM 0 HE22 GLN A 74 -13.690 10.504 4.751 1.00 1.68 H new ATOM 895 N ALA A 75 -7.007 9.458 6.896 1.00 0.55 N ATOM 896 CA ALA A 75 -5.789 8.738 7.231 1.00 0.58 C ATOM 897 C ALA A 75 -6.053 7.694 8.295 1.00 0.52 C ATOM 898 O ALA A 75 -6.375 8.034 9.433 1.00 0.70 O ATOM 899 CB ALA A 75 -4.720 9.704 7.712 1.00 0.70 C ATOM 0 H ALA A 75 -7.025 10.423 7.225 1.00 0.55 H new ATOM 0 HA ALA A 75 -5.437 8.234 6.331 1.00 0.58 H new ATOM 0 HB1 ALA A 75 -3.814 9.151 7.959 1.00 0.70 H new ATOM 0 HB2 ALA A 75 -4.501 10.426 6.925 1.00 0.70 H new ATOM 0 HB3 ALA A 75 -5.077 10.230 8.598 1.00 0.70 H new ATOM 905 N GLY A 76 -5.916 6.426 7.933 1.00 0.49 N ATOM 906 CA GLY A 76 -6.124 5.371 8.896 1.00 0.58 C ATOM 907 C GLY A 76 -6.735 4.119 8.303 1.00 0.48 C ATOM 908 O GLY A 76 -6.780 3.084 8.968 1.00 0.72 O ATOM 0 H GLY A 76 -5.666 6.113 6.995 1.00 0.49 H new ATOM 0 HA2 GLY A 76 -5.169 5.116 9.355 1.00 0.58 H new ATOM 0 HA3 GLY A 76 -6.772 5.739 9.691 1.00 0.58 H new ATOM 912 N GLY A 77 -7.221 4.187 7.065 1.00 0.42 N ATOM 913 CA GLY A 77 -7.805 3.001 6.465 1.00 0.52 C ATOM 914 C GLY A 77 -8.321 3.202 5.052 1.00 0.44 C ATOM 915 O GLY A 77 -7.742 3.972 4.279 1.00 0.78 O ATOM 0 H GLY A 77 -7.222 5.022 6.479 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -7.058 2.208 6.456 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -8.627 2.658 7.093 1.00 0.52 H new ATOM 919 N ASP A 78 -9.439 2.536 4.742 1.00 0.55 N ATOM 920 CA ASP A 78 -9.913 2.316 3.359 1.00 0.72 C ATOM 921 C ASP A 78 -10.567 3.556 2.741 1.00 0.67 C ATOM 922 O ASP A 78 -11.684 3.505 2.226 1.00 1.04 O ATOM 923 CB ASP A 78 -10.897 1.138 3.354 1.00 1.14 C ATOM 924 CG ASP A 78 -11.023 0.459 1.996 1.00 1.82 C ATOM 925 OD1 ASP A 78 -10.227 0.800 1.089 1.00 2.59 O ATOM 926 OD2 ASP A 78 -11.930 -0.382 1.815 1.00 2.28 O ATOM 0 H ASP A 78 -10.051 2.128 5.448 1.00 0.55 H new ATOM 0 HA ASP A 78 -9.042 2.094 2.743 1.00 0.72 H new ATOM 0 HB2 ASP A 78 -10.575 0.402 4.091 1.00 1.14 H new ATOM 0 HB3 ASP A 78 -11.879 1.493 3.666 1.00 1.14 H new ATOM 931 N ALA A 79 -9.857 4.678 2.858 1.00 0.54 N ATOM 932 CA ALA A 79 -10.397 6.040 2.706 1.00 0.58 C ATOM 933 C ALA A 79 -11.104 6.294 1.386 1.00 0.56 C ATOM 934 O ALA A 79 -11.801 7.309 1.246 1.00 0.67 O ATOM 935 CB ALA A 79 -9.261 7.032 2.868 1.00 0.73 C ATOM 0 H ALA A 79 -8.859 4.670 3.068 1.00 0.54 H new ATOM 0 HA ALA A 79 -11.158 6.161 3.477 1.00 0.58 H new ATOM 0 HB1 ALA A 79 -9.645 8.046 2.758 1.00 0.73 H new ATOM 0 HB2 ALA A 79 -8.816 6.918 3.857 1.00 0.73 H new ATOM 0 HB3 ALA A 79 -8.504 6.846 2.106 1.00 0.73 H new ATOM 941 N THR A 80 -10.940 5.365 0.456 1.00 0.54 N ATOM 942 CA THR A 80 -11.382 5.515 -0.924 1.00 0.60 C ATOM 943 C THR A 80 -12.916 5.536 -1.087 1.00 0.65 C ATOM 944 O THR A 80 -13.488 4.743 -1.829 1.00 0.84 O ATOM 945 CB THR A 80 -10.755 4.398 -1.797 1.00 0.66 C ATOM 946 OG1 THR A 80 -11.080 4.581 -3.179 1.00 0.84 O ATOM 947 CG2 THR A 80 -11.192 3.008 -1.333 1.00 0.70 C ATOM 0 H THR A 80 -10.488 4.470 0.642 1.00 0.54 H new ATOM 0 HA THR A 80 -11.036 6.493 -1.260 1.00 0.60 H new ATOM 0 HB THR A 80 -9.674 4.469 -1.680 1.00 0.66 H new ATOM 0 HG1 THR A 80 -12.038 4.426 -3.313 1.00 0.84 H new ATOM 0 HG21 THR A 80 -10.733 2.251 -1.969 1.00 0.70 H new ATOM 0 HG22 THR A 80 -10.878 2.854 -0.301 1.00 0.70 H new ATOM 0 HG23 THR A 80 -12.277 2.927 -1.399 1.00 0.70 H new ATOM 955 N GLU A 81 -13.577 6.458 -0.401 1.00 0.65 N ATOM 956 CA GLU A 81 -14.982 6.743 -0.661 1.00 0.79 C ATOM 957 C GLU A 81 -15.060 7.986 -1.537 1.00 0.85 C ATOM 958 O GLU A 81 -15.747 8.027 -2.556 1.00 0.98 O ATOM 959 CB GLU A 81 -15.753 6.967 0.643 1.00 0.91 C ATOM 960 CG GLU A 81 -17.253 7.085 0.414 1.00 1.54 C ATOM 961 CD GLU A 81 -18.052 7.249 1.689 1.00 1.82 C ATOM 962 OE1 GLU A 81 -18.125 6.281 2.476 1.00 2.27 O ATOM 963 OE2 GLU A 81 -18.640 8.332 1.890 1.00 2.27 O ATOM 0 H GLU A 81 -13.163 7.022 0.341 1.00 0.65 H new ATOM 0 HA GLU A 81 -15.437 5.891 -1.166 1.00 0.79 H new ATOM 0 HB2 GLU A 81 -15.556 6.140 1.326 1.00 0.91 H new ATOM 0 HB3 GLU A 81 -15.389 7.874 1.127 1.00 0.91 H new ATOM 0 HG2 GLU A 81 -17.446 7.937 -0.238 1.00 1.54 H new ATOM 0 HG3 GLU A 81 -17.602 6.196 -0.112 1.00 1.54 H new ATOM 970 N ASN A 82 -14.310 9.000 -1.092 1.00 0.82 N ATOM 971 CA ASN A 82 -14.107 10.260 -1.811 1.00 0.90 C ATOM 972 C ASN A 82 -13.680 10.008 -3.252 1.00 0.94 C ATOM 973 O ASN A 82 -14.034 10.744 -4.172 1.00 1.09 O ATOM 974 CB ASN A 82 -13.005 11.060 -1.099 1.00 0.93 C ATOM 975 CG ASN A 82 -13.457 11.756 0.177 1.00 1.70 C ATOM 976 OD1 ASN A 82 -14.673 12.284 0.195 1.00 2.41 O flip ATOM 977 ND2 ASN A 82 -12.697 11.842 1.140 1.00 2.40 N flip ATOM 0 H ASN A 82 -13.816 8.965 -0.200 1.00 0.82 H new ATOM 0 HA ASN A 82 -15.047 10.812 -1.820 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -12.182 10.387 -0.859 1.00 0.93 H new ATOM 0 HB3 ASN A 82 -12.614 11.809 -1.788 1.00 0.93 H new ATOM 0 HD21 ASN A 82 -11.767 11.425 1.095 1.00 2.40 H new ATOM 0 HD22 ASN A 82 -12.996 12.330 1.984 1.00 2.40 H new ATOM 984 N PHE A 83 -12.895 8.945 -3.404 1.00 0.85 N ATOM 985 CA PHE A 83 -12.250 8.586 -4.660 1.00 0.89 C ATOM 986 C PHE A 83 -13.272 8.049 -5.660 1.00 1.02 C ATOM 987 O PHE A 83 -13.061 8.099 -6.867 1.00 1.17 O ATOM 988 CB PHE A 83 -11.178 7.527 -4.363 1.00 0.81 C ATOM 989 CG PHE A 83 -10.126 7.380 -5.428 1.00 0.86 C ATOM 990 CD1 PHE A 83 -10.344 6.544 -6.509 1.00 0.97 C ATOM 991 CD2 PHE A 83 -8.928 8.070 -5.347 1.00 1.20 C ATOM 992 CE1 PHE A 83 -9.389 6.400 -7.496 1.00 1.06 C ATOM 993 CE2 PHE A 83 -7.967 7.932 -6.333 1.00 1.33 C ATOM 994 CZ PHE A 83 -8.168 7.122 -7.381 1.00 1.13 C ATOM 0 H PHE A 83 -12.687 8.298 -2.643 1.00 0.85 H new ATOM 0 HA PHE A 83 -11.790 9.468 -5.105 1.00 0.89 H new ATOM 0 HB2 PHE A 83 -10.690 7.779 -3.422 1.00 0.81 H new ATOM 0 HB3 PHE A 83 -11.668 6.564 -4.220 1.00 0.81 H new ATOM 0 HD1 PHE A 83 -11.273 5.997 -6.582 1.00 0.97 H new ATOM 0 HD2 PHE A 83 -8.742 8.722 -4.506 1.00 1.20 H new ATOM 0 HE1 PHE A 83 -9.566 5.751 -8.341 1.00 1.06 H new ATOM 0 HE2 PHE A 83 -7.042 8.485 -6.257 1.00 1.33 H new ATOM 0 HZ PHE A 83 -7.404 7.017 -8.138 1.00 1.13 H new ATOM 1004 N GLU A 84 -14.373 7.534 -5.120 1.00 1.00 N ATOM 1005 CA GLU A 84 -15.410 6.881 -5.915 1.00 1.14 C ATOM 1006 C GLU A 84 -16.472 7.892 -6.325 1.00 1.24 C ATOM 1007 O GLU A 84 -17.186 7.715 -7.312 1.00 1.46 O ATOM 1008 CB GLU A 84 -16.084 5.773 -5.096 1.00 1.20 C ATOM 1009 CG GLU A 84 -15.124 4.857 -4.353 1.00 1.33 C ATOM 1010 CD GLU A 84 -14.135 4.147 -5.258 1.00 1.72 C ATOM 1011 OE1 GLU A 84 -14.545 3.219 -5.989 1.00 2.19 O ATOM 1012 OE2 GLU A 84 -12.940 4.494 -5.215 1.00 2.30 O ATOM 0 H GLU A 84 -14.572 7.557 -4.120 1.00 1.00 H new ATOM 0 HA GLU A 84 -14.942 6.455 -6.802 1.00 1.14 H new ATOM 0 HB2 GLU A 84 -16.758 6.233 -4.373 1.00 1.20 H new ATOM 0 HB3 GLU A 84 -16.698 5.169 -5.764 1.00 1.20 H new ATOM 0 HG2 GLU A 84 -14.574 5.443 -3.617 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -15.699 4.112 -3.803 1.00 1.33 H new ATOM 1019 N ASP A 85 -16.589 8.932 -5.500 1.00 1.18 N ATOM 1020 CA ASP A 85 -17.653 9.926 -5.618 1.00 1.34 C ATOM 1021 C ASP A 85 -17.266 11.058 -6.559 1.00 1.45 C ATOM 1022 O ASP A 85 -18.004 11.385 -7.485 1.00 1.90 O ATOM 1023 CB ASP A 85 -17.981 10.497 -4.236 1.00 1.35 C ATOM 1024 CG ASP A 85 -19.000 11.617 -4.299 1.00 1.62 C ATOM 1025 OD1 ASP A 85 -20.075 11.404 -4.895 1.00 1.81 O ATOM 1026 OD2 ASP A 85 -18.738 12.710 -3.752 1.00 1.88 O ATOM 0 H ASP A 85 -15.946 9.109 -4.728 1.00 1.18 H new ATOM 0 HA ASP A 85 -18.529 9.429 -6.034 1.00 1.34 H new ATOM 0 HB2 ASP A 85 -18.361 9.699 -3.598 1.00 1.35 H new ATOM 0 HB3 ASP A 85 -17.066 10.868 -3.773 1.00 1.35 H new ATOM 1031 N VAL A 86 -16.119 11.673 -6.307 1.00 1.34 N ATOM 1032 CA VAL A 86 -15.656 12.768 -7.145 1.00 1.50 C ATOM 1033 C VAL A 86 -14.408 12.360 -7.916 1.00 1.26 C ATOM 1034 O VAL A 86 -13.772 13.188 -8.574 1.00 1.87 O ATOM 1035 CB VAL A 86 -15.370 14.056 -6.332 1.00 2.10 C ATOM 1036 CG1 VAL A 86 -16.644 14.575 -5.685 1.00 2.70 C ATOM 1037 CG2 VAL A 86 -14.295 13.826 -5.281 1.00 2.64 C ATOM 0 H VAL A 86 -15.497 11.434 -5.535 1.00 1.34 H new ATOM 0 HA VAL A 86 -16.462 12.991 -7.844 1.00 1.50 H new ATOM 0 HB VAL A 86 -14.999 14.809 -7.027 1.00 2.10 H new ATOM 0 HG11 VAL A 86 -16.422 15.480 -5.119 1.00 2.70 H new ATOM 0 HG12 VAL A 86 -17.378 14.802 -6.458 1.00 2.70 H new ATOM 0 HG13 VAL A 86 -17.046 13.816 -5.014 1.00 2.70 H new ATOM 0 HG21 VAL A 86 -14.121 14.750 -4.730 1.00 2.64 H new ATOM 0 HG22 VAL A 86 -14.622 13.048 -4.590 1.00 2.64 H new ATOM 0 HG23 VAL A 86 -13.371 13.514 -5.768 1.00 2.64 H new ATOM 1047 N GLY A 87 -14.075 11.073 -7.834 1.00 1.38 N ATOM 1048 CA GLY A 87 -12.902 10.557 -8.508 1.00 1.82 C ATOM 1049 C GLY A 87 -11.638 11.255 -8.067 1.00 1.46 C ATOM 1050 O GLY A 87 -11.319 11.295 -6.880 1.00 2.23 O ATOM 0 H GLY A 87 -14.603 10.377 -7.308 1.00 1.38 H new ATOM 0 HA2 GLY A 87 -12.813 9.489 -8.311 1.00 1.82 H new ATOM 0 HA3 GLY A 87 -13.023 10.674 -9.585 1.00 1.82 H new ATOM 1054 N HIS A 88 -10.938 11.814 -9.036 1.00 1.05 N ATOM 1055 CA HIS A 88 -9.735 12.588 -8.791 1.00 0.81 C ATOM 1056 C HIS A 88 -9.377 13.351 -10.056 1.00 0.89 C ATOM 1057 O HIS A 88 -9.997 13.144 -11.096 1.00 1.32 O ATOM 1058 CB HIS A 88 -8.571 11.692 -8.347 1.00 0.89 C ATOM 1059 CG HIS A 88 -8.117 11.945 -6.937 1.00 0.58 C ATOM 1060 ND1 HIS A 88 -8.552 11.216 -5.831 1.00 0.88 N ATOM 1061 CD2 HIS A 88 -7.237 12.862 -6.451 1.00 0.65 C ATOM 1062 CE1 HIS A 88 -7.932 11.702 -4.742 1.00 0.98 C ATOM 1063 NE2 HIS A 88 -7.135 12.679 -5.090 1.00 0.48 N ATOM 0 H HIS A 88 -11.190 11.744 -10.022 1.00 1.05 H new ATOM 0 HA HIS A 88 -9.923 13.290 -7.979 1.00 0.81 H new ATOM 0 HB2 HIS A 88 -8.871 10.648 -8.441 1.00 0.89 H new ATOM 0 HB3 HIS A 88 -7.729 11.843 -9.023 1.00 0.89 H new ATOM 0 HD1 HIS A 88 -9.223 10.448 -5.846 1.00 0.88 H new ATOM 0 HD2 HIS A 88 -6.710 13.604 -7.032 1.00 0.65 H new ATOM 0 HE1 HIS A 88 -8.071 11.341 -3.734 1.00 0.98 H new ATOM 1071 N SER A 89 -8.370 14.198 -9.985 1.00 0.81 N ATOM 1072 CA SER A 89 -7.980 15.030 -11.115 1.00 1.00 C ATOM 1073 C SER A 89 -7.094 14.277 -12.125 1.00 1.00 C ATOM 1074 O SER A 89 -6.216 14.879 -12.747 1.00 1.43 O ATOM 1075 CB SER A 89 -7.256 16.251 -10.564 1.00 1.22 C ATOM 1076 OG SER A 89 -6.393 15.865 -9.509 1.00 1.06 O ATOM 0 H SER A 89 -7.800 14.332 -9.150 1.00 0.81 H new ATOM 0 HA SER A 89 -8.874 15.325 -11.665 1.00 1.00 H new ATOM 0 HB2 SER A 89 -6.683 16.733 -11.356 1.00 1.22 H new ATOM 0 HB3 SER A 89 -7.980 16.982 -10.204 1.00 1.22 H new ATOM 0 HG SER A 89 -5.574 15.478 -9.882 1.00 1.06 H new ATOM 1082 N THR A 90 -7.320 12.964 -12.264 1.00 1.14 N ATOM 1083 CA THR A 90 -6.583 12.110 -13.213 1.00 1.15 C ATOM 1084 C THR A 90 -5.124 11.887 -12.789 1.00 1.15 C ATOM 1085 O THR A 90 -4.619 10.766 -12.866 1.00 1.72 O ATOM 1086 CB THR A 90 -6.638 12.675 -14.652 1.00 1.27 C ATOM 1087 OG1 THR A 90 -8.004 12.870 -15.033 1.00 1.45 O ATOM 1088 CG2 THR A 90 -5.976 11.726 -15.646 1.00 1.49 C ATOM 0 H THR A 90 -8.021 12.460 -11.721 1.00 1.14 H new ATOM 0 HA THR A 90 -7.085 11.142 -13.200 1.00 1.15 H new ATOM 0 HB THR A 90 -6.099 13.622 -14.666 1.00 1.27 H new ATOM 0 HG1 THR A 90 -8.041 13.230 -15.944 1.00 1.45 H new ATOM 0 HG21 THR A 90 -6.031 12.152 -16.648 1.00 1.49 H new ATOM 0 HG22 THR A 90 -4.931 11.581 -15.370 1.00 1.49 H new ATOM 0 HG23 THR A 90 -6.492 10.766 -15.631 1.00 1.49 H new ATOM 1096 N ASP A 91 -4.470 12.944 -12.328 1.00 0.95 N ATOM 1097 CA ASP A 91 -3.077 12.889 -11.883 1.00 0.97 C ATOM 1098 C ASP A 91 -2.868 11.751 -10.887 1.00 0.89 C ATOM 1099 O ASP A 91 -1.946 10.946 -11.015 1.00 0.88 O ATOM 1100 CB ASP A 91 -2.691 14.219 -11.237 1.00 1.12 C ATOM 1101 CG ASP A 91 -1.191 14.399 -11.140 1.00 1.65 C ATOM 1102 OD1 ASP A 91 -0.583 13.831 -10.222 1.00 1.90 O ATOM 1103 OD2 ASP A 91 -0.620 15.119 -11.986 1.00 2.46 O ATOM 0 H ASP A 91 -4.890 13.870 -12.250 1.00 0.95 H new ATOM 0 HA ASP A 91 -2.444 12.706 -12.751 1.00 0.97 H new ATOM 0 HB2 ASP A 91 -3.116 15.038 -11.817 1.00 1.12 H new ATOM 0 HB3 ASP A 91 -3.126 14.275 -10.239 1.00 1.12 H new ATOM 1108 N ALA A 92 -3.774 11.665 -9.916 1.00 0.90 N ATOM 1109 CA ALA A 92 -3.684 10.679 -8.842 1.00 0.90 C ATOM 1110 C ALA A 92 -4.059 9.272 -9.312 1.00 0.82 C ATOM 1111 O ALA A 92 -4.347 8.399 -8.500 1.00 1.07 O ATOM 1112 CB ALA A 92 -4.573 11.089 -7.679 1.00 0.97 C ATOM 0 H ALA A 92 -4.589 12.275 -9.851 1.00 0.90 H new ATOM 0 HA ALA A 92 -2.644 10.650 -8.518 1.00 0.90 H new ATOM 0 HB1 ALA A 92 -4.498 10.347 -6.884 1.00 0.97 H new ATOM 0 HB2 ALA A 92 -4.252 12.060 -7.300 1.00 0.97 H new ATOM 0 HB3 ALA A 92 -5.607 11.155 -8.017 1.00 0.97 H new ATOM 1118 N ARG A 93 -4.079 9.065 -10.622 1.00 0.75 N ATOM 1119 CA ARG A 93 -4.279 7.739 -11.187 1.00 0.73 C ATOM 1120 C ARG A 93 -2.931 7.174 -11.617 1.00 0.69 C ATOM 1121 O ARG A 93 -2.785 5.980 -11.874 1.00 0.81 O ATOM 1122 CB ARG A 93 -5.220 7.815 -12.396 1.00 0.82 C ATOM 1123 CG ARG A 93 -6.642 8.207 -12.056 1.00 1.64 C ATOM 1124 CD ARG A 93 -7.443 8.480 -13.319 1.00 1.70 C ATOM 1125 NE ARG A 93 -7.651 7.279 -14.135 1.00 2.71 N ATOM 1126 CZ ARG A 93 -8.597 7.172 -15.070 1.00 3.02 C ATOM 1127 NH1 ARG A 93 -9.397 8.204 -15.328 1.00 2.38 N ATOM 1128 NH2 ARG A 93 -8.745 6.030 -15.737 1.00 4.15 N ATOM 0 H ARG A 93 -3.958 9.803 -11.316 1.00 0.75 H new ATOM 0 HA ARG A 93 -4.729 7.090 -10.436 1.00 0.73 H new ATOM 0 HB2 ARG A 93 -4.818 8.534 -13.110 1.00 0.82 H new ATOM 0 HB3 ARG A 93 -5.232 6.845 -12.894 1.00 0.82 H new ATOM 0 HG2 ARG A 93 -7.117 7.410 -11.484 1.00 1.64 H new ATOM 0 HG3 ARG A 93 -6.638 9.095 -11.423 1.00 1.64 H new ATOM 0 HD2 ARG A 93 -8.411 8.899 -13.045 1.00 1.70 H new ATOM 0 HD3 ARG A 93 -6.927 9.233 -13.915 1.00 1.70 H new ATOM 0 HE ARG A 93 -7.037 6.480 -13.979 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -9.287 9.076 -14.811 1.00 2.38 H new ATOM 0 HH12 ARG A 93 -10.120 8.122 -16.043 1.00 2.38 H new ATOM 0 HH21 ARG A 93 -8.136 5.238 -15.533 1.00 4.15 H new ATOM 0 HH22 ARG A 93 -9.468 5.947 -16.452 1.00 4.15 H new ATOM 1142 N GLU A 94 -1.950 8.067 -11.691 1.00 0.60 N ATOM 1143 CA GLU A 94 -0.647 7.756 -12.265 1.00 0.60 C ATOM 1144 C GLU A 94 0.491 8.233 -11.350 1.00 0.58 C ATOM 1145 O GLU A 94 1.559 7.627 -11.287 1.00 0.74 O ATOM 1146 CB GLU A 94 -0.562 8.431 -13.636 1.00 0.68 C ATOM 1147 CG GLU A 94 0.683 8.087 -14.433 1.00 1.19 C ATOM 1148 CD GLU A 94 0.537 8.451 -15.898 1.00 1.38 C ATOM 1149 OE1 GLU A 94 0.735 9.639 -16.240 1.00 2.11 O ATOM 1150 OE2 GLU A 94 0.233 7.556 -16.711 1.00 1.62 O ATOM 0 H GLU A 94 -2.036 9.026 -11.355 1.00 0.60 H new ATOM 0 HA GLU A 94 -0.538 6.677 -12.370 1.00 0.60 H new ATOM 0 HB2 GLU A 94 -1.440 8.152 -14.219 1.00 0.68 H new ATOM 0 HB3 GLU A 94 -0.602 9.511 -13.498 1.00 0.68 H new ATOM 0 HG2 GLU A 94 1.540 8.613 -14.012 1.00 1.19 H new ATOM 0 HG3 GLU A 94 0.888 7.020 -14.343 1.00 1.19 H new ATOM 1157 N MET A 95 0.234 9.342 -10.650 1.00 0.48 N ATOM 1158 CA MET A 95 1.205 9.949 -9.734 1.00 0.49 C ATOM 1159 C MET A 95 1.382 9.114 -8.472 1.00 0.42 C ATOM 1160 O MET A 95 2.463 9.032 -7.901 1.00 0.50 O ATOM 1161 CB MET A 95 0.733 11.346 -9.340 1.00 0.53 C ATOM 1162 CG MET A 95 1.598 12.006 -8.282 1.00 0.65 C ATOM 1163 SD MET A 95 3.259 12.362 -8.874 1.00 1.09 S ATOM 1164 CE MET A 95 2.890 13.554 -10.157 1.00 1.75 C ATOM 0 H MET A 95 -0.652 9.844 -10.702 1.00 0.48 H new ATOM 0 HA MET A 95 2.163 10.001 -10.251 1.00 0.49 H new ATOM 0 HB2 MET A 95 0.715 11.978 -10.228 1.00 0.53 H new ATOM 0 HB3 MET A 95 -0.291 11.284 -8.972 1.00 0.53 H new ATOM 0 HG2 MET A 95 1.125 12.933 -7.957 1.00 0.65 H new ATOM 0 HG3 MET A 95 1.658 11.356 -7.409 1.00 0.65 H new ATOM 0 HE1 MET A 95 3.780 14.147 -10.369 1.00 1.75 H new ATOM 0 HE2 MET A 95 2.578 13.031 -11.061 1.00 1.75 H new ATOM 0 HE3 MET A 95 2.087 14.211 -9.823 1.00 1.75 H new ATOM 1174 N SER A 96 0.278 8.512 -8.052 1.00 0.34 N ATOM 1175 CA SER A 96 0.173 7.867 -6.750 1.00 0.31 C ATOM 1176 C SER A 96 0.921 6.546 -6.663 1.00 0.31 C ATOM 1177 O SER A 96 1.011 5.913 -5.627 1.00 0.33 O ATOM 1178 CB SER A 96 -1.299 7.635 -6.431 1.00 0.36 C ATOM 1179 OG SER A 96 -1.860 6.699 -7.339 1.00 1.13 O ATOM 0 H SER A 96 -0.575 8.457 -8.608 1.00 0.34 H new ATOM 0 HA SER A 96 0.638 8.535 -6.025 1.00 0.31 H new ATOM 0 HB2 SER A 96 -1.403 7.268 -5.410 1.00 0.36 H new ATOM 0 HB3 SER A 96 -1.843 8.578 -6.488 1.00 0.36 H new ATOM 0 HG SER A 96 -2.645 7.094 -7.773 1.00 1.13 H new ATOM 1185 N LYS A 97 1.423 6.119 -7.830 1.00 0.36 N ATOM 1186 CA LYS A 97 1.975 4.794 -8.014 1.00 0.43 C ATOM 1187 C LYS A 97 3.143 4.523 -7.063 1.00 0.41 C ATOM 1188 O LYS A 97 3.313 3.398 -6.612 1.00 0.48 O ATOM 1189 CB LYS A 97 2.385 4.621 -9.482 1.00 0.56 C ATOM 1190 CG LYS A 97 1.195 4.719 -10.434 1.00 0.83 C ATOM 1191 CD LYS A 97 0.420 3.412 -10.510 1.00 1.15 C ATOM 1192 CE LYS A 97 1.160 2.397 -11.368 1.00 1.56 C ATOM 1193 NZ LYS A 97 0.404 1.124 -11.531 1.00 2.15 N ATOM 0 H LYS A 97 1.452 6.696 -8.670 1.00 0.36 H new ATOM 0 HA LYS A 97 1.210 4.057 -7.768 1.00 0.43 H new ATOM 0 HB2 LYS A 97 3.120 5.383 -9.743 1.00 0.56 H new ATOM 0 HB3 LYS A 97 2.870 3.653 -9.609 1.00 0.56 H new ATOM 0 HG2 LYS A 97 0.530 5.517 -10.103 1.00 0.83 H new ATOM 0 HG3 LYS A 97 1.548 4.990 -11.429 1.00 0.83 H new ATOM 0 HD2 LYS A 97 0.275 3.011 -9.507 1.00 1.15 H new ATOM 0 HD3 LYS A 97 -0.571 3.595 -10.927 1.00 1.15 H new ATOM 0 HE2 LYS A 97 1.353 2.829 -12.350 1.00 1.56 H new ATOM 0 HE3 LYS A 97 2.129 2.184 -10.918 1.00 1.56 H new ATOM 0 HZ1 LYS A 97 0.952 0.468 -12.123 1.00 2.15 H new ATOM 0 HZ2 LYS A 97 0.242 0.695 -10.598 1.00 2.15 H new ATOM 0 HZ3 LYS A 97 -0.511 1.319 -11.986 1.00 2.15 H new ATOM 1207 N THR A 98 3.927 5.560 -6.764 1.00 0.40 N ATOM 1208 CA THR A 98 5.102 5.420 -5.905 1.00 0.46 C ATOM 1209 C THR A 98 4.787 5.737 -4.445 1.00 0.41 C ATOM 1210 O THR A 98 5.683 5.806 -3.597 1.00 0.48 O ATOM 1211 CB THR A 98 6.234 6.327 -6.403 1.00 0.59 C ATOM 1212 OG1 THR A 98 5.676 7.545 -6.927 1.00 1.01 O ATOM 1213 CG2 THR A 98 7.044 5.623 -7.476 1.00 1.15 C ATOM 0 H THR A 98 3.768 6.508 -7.105 1.00 0.40 H new ATOM 0 HA THR A 98 5.418 4.378 -5.956 1.00 0.46 H new ATOM 0 HB THR A 98 6.896 6.560 -5.569 1.00 0.59 H new ATOM 0 HG1 THR A 98 6.399 8.126 -7.244 1.00 1.01 H new ATOM 0 HG21 THR A 98 7.843 6.280 -7.819 1.00 1.15 H new ATOM 0 HG22 THR A 98 7.476 4.710 -7.066 1.00 1.15 H new ATOM 0 HG23 THR A 98 6.396 5.372 -8.315 1.00 1.15 H new ATOM 1221 N PHE A 99 3.507 5.934 -4.166 1.00 0.32 N ATOM 1222 CA PHE A 99 3.032 6.139 -2.806 1.00 0.32 C ATOM 1223 C PHE A 99 2.482 4.828 -2.267 1.00 0.30 C ATOM 1224 O PHE A 99 2.240 4.678 -1.067 1.00 0.31 O ATOM 1225 CB PHE A 99 1.945 7.215 -2.786 1.00 0.34 C ATOM 1226 CG PHE A 99 2.465 8.604 -3.028 1.00 0.36 C ATOM 1227 CD1 PHE A 99 3.276 9.234 -2.096 1.00 0.77 C ATOM 1228 CD2 PHE A 99 2.139 9.281 -4.192 1.00 0.88 C ATOM 1229 CE1 PHE A 99 3.755 10.511 -2.324 1.00 0.81 C ATOM 1230 CE2 PHE A 99 2.614 10.557 -4.427 1.00 0.90 C ATOM 1231 CZ PHE A 99 3.431 11.176 -3.459 1.00 0.47 C ATOM 0 H PHE A 99 2.772 5.956 -4.872 1.00 0.32 H new ATOM 0 HA PHE A 99 3.858 6.471 -2.178 1.00 0.32 H new ATOM 0 HB2 PHE A 99 1.199 6.979 -3.544 1.00 0.34 H new ATOM 0 HB3 PHE A 99 1.438 7.189 -1.821 1.00 0.34 H new ATOM 0 HD1 PHE A 99 3.536 8.721 -1.182 1.00 0.77 H new ATOM 0 HD2 PHE A 99 1.505 8.805 -4.925 1.00 0.88 H new ATOM 0 HE1 PHE A 99 4.393 10.982 -1.591 1.00 0.81 H new ATOM 0 HE2 PHE A 99 2.362 11.074 -5.341 1.00 0.90 H new ATOM 0 HZ PHE A 99 3.798 12.179 -3.622 1.00 0.47 H new ATOM 1241 N ILE A 100 2.274 3.882 -3.182 1.00 0.32 N ATOM 1242 CA ILE A 100 1.765 2.567 -2.830 1.00 0.32 C ATOM 1243 C ILE A 100 2.878 1.737 -2.206 1.00 0.34 C ATOM 1244 O ILE A 100 3.560 0.976 -2.896 1.00 0.43 O ATOM 1245 CB ILE A 100 1.222 1.792 -4.052 1.00 0.34 C ATOM 1246 CG1 ILE A 100 0.303 2.662 -4.901 1.00 0.32 C ATOM 1247 CG2 ILE A 100 0.474 0.557 -3.576 1.00 0.42 C ATOM 1248 CD1 ILE A 100 -0.190 1.975 -6.160 1.00 0.38 C ATOM 0 H ILE A 100 2.453 4.008 -4.178 1.00 0.32 H new ATOM 0 HA ILE A 100 0.945 2.726 -2.130 1.00 0.32 H new ATOM 0 HB ILE A 100 2.067 1.496 -4.673 1.00 0.34 H new ATOM 0 HG12 ILE A 100 -0.556 2.962 -4.301 1.00 0.32 H new ATOM 0 HG13 ILE A 100 0.833 3.573 -5.178 1.00 0.32 H new ATOM 0 HG21 ILE A 100 0.090 0.010 -4.437 1.00 0.42 H new ATOM 0 HG22 ILE A 100 1.151 -0.083 -3.011 1.00 0.42 H new ATOM 0 HG23 ILE A 100 -0.357 0.858 -2.938 1.00 0.42 H new ATOM 0 HD11 ILE A 100 -0.839 2.653 -6.714 1.00 0.38 H new ATOM 0 HD12 ILE A 100 0.662 1.699 -6.781 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.748 1.078 -5.890 1.00 0.38 H new ATOM 1260 N ILE A 101 3.059 1.886 -0.902 1.00 0.32 N ATOM 1261 CA ILE A 101 4.120 1.187 -0.188 1.00 0.35 C ATOM 1262 C ILE A 101 3.828 -0.311 -0.079 1.00 0.36 C ATOM 1263 O ILE A 101 4.743 -1.119 0.099 1.00 0.43 O ATOM 1264 CB ILE A 101 4.329 1.762 1.229 1.00 0.36 C ATOM 1265 CG1 ILE A 101 3.012 1.766 2.001 1.00 0.33 C ATOM 1266 CG2 ILE A 101 4.913 3.171 1.172 1.00 0.46 C ATOM 1267 CD1 ILE A 101 3.158 2.233 3.429 1.00 0.38 C ATOM 0 H ILE A 101 2.482 2.487 -0.314 1.00 0.32 H new ATOM 0 HA ILE A 101 5.031 1.334 -0.769 1.00 0.35 H new ATOM 0 HB ILE A 101 5.041 1.122 1.749 1.00 0.36 H new ATOM 0 HG12 ILE A 101 2.299 2.410 1.486 1.00 0.33 H new ATOM 0 HG13 ILE A 101 2.593 0.760 1.996 1.00 0.33 H new ATOM 0 HG21 ILE A 101 5.049 3.550 2.185 1.00 0.46 H new ATOM 0 HG22 ILE A 101 5.876 3.145 0.662 1.00 0.46 H new ATOM 0 HG23 ILE A 101 4.232 3.826 0.628 1.00 0.46 H new ATOM 0 HD11 ILE A 101 2.185 2.212 3.920 1.00 0.38 H new ATOM 0 HD12 ILE A 101 3.846 1.574 3.959 1.00 0.38 H new ATOM 0 HD13 ILE A 101 3.548 3.251 3.441 1.00 0.38 H new ATOM 1279 N GLY A 102 2.552 -0.672 -0.162 1.00 0.33 N ATOM 1280 CA GLY A 102 2.175 -2.072 -0.133 1.00 0.39 C ATOM 1281 C GLY A 102 0.680 -2.247 -0.012 1.00 0.35 C ATOM 1282 O GLY A 102 -0.085 -1.383 -0.444 1.00 0.35 O ATOM 0 H GLY A 102 1.773 -0.020 -0.249 1.00 0.33 H new ATOM 0 HA2 GLY A 102 2.526 -2.562 -1.041 1.00 0.39 H new ATOM 0 HA3 GLY A 102 2.668 -2.564 0.706 1.00 0.39 H new ATOM 1286 N GLU A 103 0.253 -3.356 0.565 1.00 0.40 N ATOM 1287 CA GLU A 103 -1.160 -3.603 0.770 1.00 0.42 C ATOM 1288 C GLU A 103 -1.405 -4.157 2.160 1.00 0.37 C ATOM 1289 O GLU A 103 -0.477 -4.271 2.963 1.00 0.39 O ATOM 1290 CB GLU A 103 -1.714 -4.566 -0.281 1.00 0.52 C ATOM 1291 CG GLU A 103 -1.647 -4.022 -1.699 1.00 0.74 C ATOM 1292 CD GLU A 103 -2.348 -4.910 -2.708 1.00 1.22 C ATOM 1293 OE1 GLU A 103 -3.422 -5.444 -2.388 1.00 1.85 O ATOM 1294 OE2 GLU A 103 -1.838 -5.053 -3.839 1.00 1.87 O ATOM 0 H GLU A 103 0.866 -4.099 0.900 1.00 0.40 H new ATOM 0 HA GLU A 103 -1.681 -2.651 0.668 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -1.158 -5.502 -0.233 1.00 0.52 H new ATOM 0 HB3 GLU A 103 -2.751 -4.798 -0.038 1.00 0.52 H new ATOM 0 HG2 GLU A 103 -2.096 -3.029 -1.723 1.00 0.74 H new ATOM 0 HG3 GLU A 103 -0.603 -3.906 -1.989 1.00 0.74 H new ATOM 1301 N LEU A 104 -2.642 -4.506 2.442 1.00 0.40 N ATOM 1302 CA LEU A 104 -2.996 -5.070 3.732 1.00 0.42 C ATOM 1303 C LEU A 104 -2.486 -6.501 3.857 1.00 0.42 C ATOM 1304 O LEU A 104 -2.082 -7.107 2.871 1.00 0.48 O ATOM 1305 CB LEU A 104 -4.506 -5.064 3.905 1.00 0.51 C ATOM 1306 CG LEU A 104 -5.173 -3.687 3.968 1.00 0.82 C ATOM 1307 CD1 LEU A 104 -6.596 -3.761 3.441 1.00 1.71 C ATOM 1308 CD2 LEU A 104 -5.184 -3.176 5.397 1.00 1.33 C ATOM 0 H LEU A 104 -3.424 -4.410 1.794 1.00 0.40 H new ATOM 0 HA LEU A 104 -2.532 -4.459 4.506 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -4.948 -5.621 3.079 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -4.748 -5.604 4.820 1.00 0.51 H new ATOM 0 HG LEU A 104 -4.601 -2.999 3.345 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -7.055 -2.774 3.493 1.00 1.71 H new ATOM 0 HD12 LEU A 104 -6.583 -4.101 2.406 1.00 1.71 H new ATOM 0 HD13 LEU A 104 -7.172 -4.461 4.046 1.00 1.71 H new ATOM 0 HD21 LEU A 104 -5.661 -2.196 5.429 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -5.739 -3.871 6.028 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -4.160 -3.094 5.762 1.00 1.33 H new ATOM 1320 N HIS A 105 -2.520 -7.051 5.062 1.00 0.48 N ATOM 1321 CA HIS A 105 -2.129 -8.443 5.280 1.00 0.53 C ATOM 1322 C HIS A 105 -3.145 -9.374 4.617 1.00 0.60 C ATOM 1323 O HIS A 105 -4.256 -8.954 4.309 1.00 0.64 O ATOM 1324 CB HIS A 105 -2.058 -8.743 6.785 1.00 0.68 C ATOM 1325 CG HIS A 105 -0.753 -9.319 7.248 1.00 1.13 C ATOM 1326 ND1 HIS A 105 -0.674 -10.351 8.153 1.00 1.82 N ATOM 1327 CD2 HIS A 105 0.525 -8.993 6.943 1.00 1.68 C ATOM 1328 CE1 HIS A 105 0.591 -10.640 8.382 1.00 2.41 C ATOM 1329 NE2 HIS A 105 1.345 -9.832 7.660 1.00 2.37 N ATOM 0 H HIS A 105 -2.814 -6.558 5.905 1.00 0.48 H new ATOM 0 HA HIS A 105 -1.146 -8.607 4.839 1.00 0.53 H new ATOM 0 HB2 HIS A 105 -2.248 -7.821 7.335 1.00 0.68 H new ATOM 0 HB3 HIS A 105 -2.858 -9.438 7.041 1.00 0.68 H new ATOM 0 HD2 HIS A 105 0.842 -8.217 6.262 1.00 1.68 H new ATOM 0 HE1 HIS A 105 0.951 -11.409 9.049 1.00 2.41 H new ATOM 0 HE2 HIS A 105 2.365 -9.830 7.638 1.00 2.37 H new ATOM 1338 N PRO A 106 -2.790 -10.650 4.386 1.00 0.74 N ATOM 1339 CA PRO A 106 -3.718 -11.647 3.815 1.00 1.00 C ATOM 1340 C PRO A 106 -5.019 -11.810 4.622 1.00 1.18 C ATOM 1341 O PRO A 106 -5.959 -12.468 4.186 1.00 1.67 O ATOM 1342 CB PRO A 106 -2.906 -12.952 3.846 1.00 1.17 C ATOM 1343 CG PRO A 106 -1.734 -12.684 4.728 1.00 1.02 C ATOM 1344 CD PRO A 106 -1.452 -11.222 4.601 1.00 0.79 C ATOM 0 HA PRO A 106 -4.051 -11.348 2.821 1.00 1.00 H new ATOM 0 HB2 PRO A 106 -3.506 -13.776 4.233 1.00 1.17 H new ATOM 0 HB3 PRO A 106 -2.584 -13.235 2.844 1.00 1.17 H new ATOM 0 HG2 PRO A 106 -1.954 -12.951 5.762 1.00 1.02 H new ATOM 0 HG3 PRO A 106 -0.871 -13.276 4.422 1.00 1.02 H new ATOM 0 HD2 PRO A 106 -0.980 -10.822 5.498 1.00 0.79 H new ATOM 0 HD3 PRO A 106 -0.783 -11.010 3.767 1.00 0.79 H new ATOM 1352 N ASP A 107 -5.035 -11.205 5.807 1.00 1.16 N ATOM 1353 CA ASP A 107 -6.147 -11.296 6.749 1.00 1.47 C ATOM 1354 C ASP A 107 -7.072 -10.084 6.592 1.00 1.22 C ATOM 1355 O ASP A 107 -8.276 -10.163 6.829 1.00 1.47 O ATOM 1356 CB ASP A 107 -5.556 -11.355 8.166 1.00 1.90 C ATOM 1357 CG ASP A 107 -6.545 -11.803 9.225 1.00 2.76 C ATOM 1358 OD1 ASP A 107 -7.174 -12.862 9.043 1.00 3.27 O ATOM 1359 OD2 ASP A 107 -6.643 -11.141 10.277 1.00 3.31 O ATOM 0 H ASP A 107 -4.264 -10.629 6.145 1.00 1.16 H new ATOM 0 HA ASP A 107 -6.742 -12.189 6.557 1.00 1.47 H new ATOM 0 HB2 ASP A 107 -4.705 -12.036 8.166 1.00 1.90 H new ATOM 0 HB3 ASP A 107 -5.175 -10.369 8.432 1.00 1.90 H new ATOM 1364 N ASP A 108 -6.477 -8.965 6.155 1.00 0.95 N ATOM 1365 CA ASP A 108 -7.171 -7.672 6.065 1.00 1.11 C ATOM 1366 C ASP A 108 -7.576 -7.384 4.632 1.00 1.14 C ATOM 1367 O ASP A 108 -8.561 -6.703 4.346 1.00 1.53 O ATOM 1368 CB ASP A 108 -6.255 -6.532 6.515 1.00 1.39 C ATOM 1369 CG ASP A 108 -5.529 -6.799 7.813 1.00 2.65 C ATOM 1370 OD1 ASP A 108 -6.202 -6.844 8.868 1.00 3.44 O ATOM 1371 OD2 ASP A 108 -4.299 -6.989 7.786 1.00 3.12 O ATOM 0 H ASP A 108 -5.503 -8.930 5.854 1.00 0.95 H new ATOM 0 HA ASP A 108 -8.049 -7.733 6.709 1.00 1.11 H new ATOM 0 HB2 ASP A 108 -5.520 -6.341 5.733 1.00 1.39 H new ATOM 0 HB3 ASP A 108 -6.849 -5.624 6.623 1.00 1.39 H new ATOM 1376 N ARG A 109 -6.679 -7.848 3.740 1.00 0.99 N ATOM 1377 CA ARG A 109 -6.745 -7.605 2.302 1.00 1.18 C ATOM 1378 C ARG A 109 -8.066 -8.065 1.711 1.00 1.48 C ATOM 1379 O ARG A 109 -8.650 -7.323 0.929 1.00 1.98 O ATOM 1380 CB ARG A 109 -5.585 -8.301 1.559 1.00 1.11 C ATOM 1381 CG ARG A 109 -5.314 -7.758 0.154 1.00 1.45 C ATOM 1382 CD ARG A 109 -4.256 -8.586 -0.563 1.00 1.73 C ATOM 1383 NE ARG A 109 -3.760 -7.948 -1.786 1.00 2.25 N ATOM 1384 CZ ARG A 109 -3.311 -8.620 -2.849 1.00 2.64 C ATOM 1385 NH1 ARG A 109 -3.358 -9.944 -2.865 1.00 2.73 N ATOM 1386 NH2 ARG A 109 -2.813 -7.969 -3.895 1.00 3.35 N ATOM 0 H ARG A 109 -5.875 -8.413 4.014 1.00 0.99 H new ATOM 0 HA ARG A 109 -6.659 -6.527 2.168 1.00 1.18 H new ATOM 0 HB2 ARG A 109 -4.677 -8.202 2.154 1.00 1.11 H new ATOM 0 HB3 ARG A 109 -5.804 -9.366 1.487 1.00 1.11 H new ATOM 0 HG2 ARG A 109 -6.238 -7.763 -0.425 1.00 1.45 H new ATOM 0 HG3 ARG A 109 -4.985 -6.721 0.219 1.00 1.45 H new ATOM 0 HD2 ARG A 109 -3.420 -8.761 0.114 1.00 1.73 H new ATOM 0 HD3 ARG A 109 -4.674 -9.561 -0.812 1.00 1.73 H new ATOM 0 HE ARG A 109 -3.758 -6.929 -1.828 1.00 2.25 H new ATOM 0 HH11 ARG A 109 -3.737 -10.451 -2.065 1.00 2.73 H new ATOM 0 HH12 ARG A 109 -3.015 -10.457 -3.677 1.00 2.73 H new ATOM 0 HH21 ARG A 109 -2.772 -6.950 -3.889 1.00 3.35 H new ATOM 0 HH22 ARG A 109 -2.472 -8.488 -4.704 1.00 3.35 H new ATOM 1400 N PRO A 110 -8.544 -9.303 2.013 1.00 1.77 N ATOM 1401 CA PRO A 110 -9.843 -9.743 1.522 1.00 2.09 C ATOM 1402 C PRO A 110 -11.003 -9.293 2.415 1.00 2.31 C ATOM 1403 O PRO A 110 -12.135 -9.166 1.949 1.00 2.89 O ATOM 1404 CB PRO A 110 -9.719 -11.263 1.531 1.00 2.66 C ATOM 1405 CG PRO A 110 -8.798 -11.563 2.666 1.00 2.94 C ATOM 1406 CD PRO A 110 -7.862 -10.380 2.783 1.00 2.39 C ATOM 0 HA PRO A 110 -10.071 -9.320 0.544 1.00 2.09 H new ATOM 0 HB2 PRO A 110 -10.690 -11.738 1.673 1.00 2.66 H new ATOM 0 HB3 PRO A 110 -9.318 -11.633 0.587 1.00 2.66 H new ATOM 0 HG2 PRO A 110 -9.356 -11.709 3.591 1.00 2.94 H new ATOM 0 HG3 PRO A 110 -8.241 -12.482 2.481 1.00 2.94 H new ATOM 0 HD2 PRO A 110 -7.711 -10.092 3.823 1.00 2.39 H new ATOM 0 HD3 PRO A 110 -6.879 -10.606 2.369 1.00 2.39 H new ATOM 1414 N LYS A 111 -10.694 -9.062 3.701 1.00 2.13 N ATOM 1415 CA LYS A 111 -11.668 -8.625 4.719 1.00 2.67 C ATOM 1416 C LYS A 111 -12.615 -9.752 5.149 1.00 3.16 C ATOM 1417 O LYS A 111 -12.823 -9.978 6.344 1.00 3.69 O ATOM 1418 CB LYS A 111 -12.489 -7.420 4.241 1.00 2.87 C ATOM 1419 CG LYS A 111 -11.683 -6.139 4.085 1.00 2.82 C ATOM 1420 CD LYS A 111 -12.599 -4.955 3.804 1.00 3.47 C ATOM 1421 CE LYS A 111 -11.823 -3.668 3.563 1.00 3.97 C ATOM 1422 NZ LYS A 111 -12.727 -2.495 3.401 1.00 4.54 N ATOM 0 H LYS A 111 -9.750 -9.174 4.069 1.00 2.13 H new ATOM 0 HA LYS A 111 -11.077 -8.330 5.586 1.00 2.67 H new ATOM 0 HB2 LYS A 111 -12.950 -7.665 3.284 1.00 2.87 H new ATOM 0 HB3 LYS A 111 -13.299 -7.243 4.949 1.00 2.87 H new ATOM 0 HG2 LYS A 111 -11.108 -5.953 4.992 1.00 2.82 H new ATOM 0 HG3 LYS A 111 -10.967 -6.252 3.271 1.00 2.82 H new ATOM 0 HD2 LYS A 111 -13.215 -5.174 2.932 1.00 3.47 H new ATOM 0 HD3 LYS A 111 -13.277 -4.815 4.646 1.00 3.47 H new ATOM 0 HE2 LYS A 111 -11.145 -3.491 4.398 1.00 3.97 H new ATOM 0 HE3 LYS A 111 -11.207 -3.777 2.670 1.00 3.97 H new ATOM 0 HZ1 LYS A 111 -12.223 -1.735 2.901 1.00 4.54 H new ATOM 0 HZ2 LYS A 111 -13.564 -2.775 2.852 1.00 4.54 H new ATOM 0 HZ3 LYS A 111 -13.025 -2.155 4.337 1.00 4.54 H new ATOM 1436 N LEU A 112 -13.181 -10.455 4.167 1.00 3.28 N ATOM 1437 CA LEU A 112 -14.252 -11.420 4.417 1.00 3.87 C ATOM 1438 C LEU A 112 -13.724 -12.768 4.918 1.00 4.03 C ATOM 1439 O LEU A 112 -12.582 -12.874 5.345 1.00 4.40 O ATOM 1440 CB LEU A 112 -15.116 -11.627 3.159 1.00 4.14 C ATOM 1441 CG LEU A 112 -14.579 -12.609 2.105 1.00 4.72 C ATOM 1442 CD1 LEU A 112 -15.676 -12.962 1.115 1.00 5.33 C ATOM 1443 CD2 LEU A 112 -13.371 -12.047 1.369 1.00 5.13 C ATOM 0 H LEU A 112 -12.914 -10.373 3.186 1.00 3.28 H new ATOM 0 HA LEU A 112 -14.870 -10.995 5.208 1.00 3.87 H new ATOM 0 HB2 LEU A 112 -16.100 -11.973 3.476 1.00 4.14 H new ATOM 0 HB3 LEU A 112 -15.257 -10.658 2.680 1.00 4.14 H new ATOM 0 HG LEU A 112 -14.256 -13.510 2.627 1.00 4.72 H new ATOM 0 HD11 LEU A 112 -15.286 -13.658 0.372 1.00 5.33 H new ATOM 0 HD12 LEU A 112 -16.509 -13.425 1.644 1.00 5.33 H new ATOM 0 HD13 LEU A 112 -16.022 -12.056 0.617 1.00 5.33 H new ATOM 0 HD21 LEU A 112 -13.023 -12.772 0.634 1.00 5.13 H new ATOM 0 HD22 LEU A 112 -13.651 -11.123 0.863 1.00 5.13 H new ATOM 0 HD23 LEU A 112 -12.573 -11.843 2.083 1.00 5.13 H new ATOM 1455 N ASN A 113 -14.587 -13.790 4.816 1.00 4.17 N ATOM 1456 CA ASN A 113 -14.383 -15.114 5.426 1.00 4.65 C ATOM 1457 C ASN A 113 -12.946 -15.633 5.374 1.00 4.52 C ATOM 1458 O ASN A 113 -12.468 -16.168 6.375 1.00 4.85 O ATOM 1459 CB ASN A 113 -15.343 -16.141 4.813 1.00 5.14 C ATOM 1460 CG ASN A 113 -16.759 -16.013 5.349 1.00 5.80 C ATOM 1461 OD1 ASN A 113 -16.896 -15.619 6.608 1.00 6.30 O flip ATOM 1462 ND2 ASN A 113 -17.731 -16.276 4.634 1.00 6.14 N flip ATOM 0 H ASN A 113 -15.463 -13.719 4.298 1.00 4.17 H new ATOM 0 HA ASN A 113 -14.602 -14.977 6.485 1.00 4.65 H new ATOM 0 HB2 ASN A 113 -15.356 -16.018 3.730 1.00 5.14 H new ATOM 0 HB3 ASN A 113 -14.972 -17.146 5.016 1.00 5.14 H new ATOM 0 HD21 ASN A 113 -17.588 -16.576 3.670 1.00 6.14 H new ATOM 0 HD22 ASN A 113 -18.676 -16.193 5.008 1.00 6.14 H new ATOM 1469 N LYS A 114 -12.273 -15.501 4.213 1.00 4.52 N ATOM 1470 CA LYS A 114 -10.849 -15.858 4.099 1.00 4.85 C ATOM 1471 C LYS A 114 -10.647 -17.380 4.065 1.00 5.78 C ATOM 1472 O LYS A 114 -11.433 -18.134 4.641 1.00 6.19 O ATOM 1473 CB LYS A 114 -10.091 -15.193 5.262 1.00 4.78 C ATOM 1474 CG LYS A 114 -8.784 -15.837 5.680 1.00 5.11 C ATOM 1475 CD LYS A 114 -8.300 -15.192 6.964 1.00 5.22 C ATOM 1476 CE LYS A 114 -7.106 -15.908 7.559 1.00 6.07 C ATOM 1477 NZ LYS A 114 -6.841 -15.433 8.939 1.00 6.75 N ATOM 0 H LYS A 114 -12.690 -15.153 3.350 1.00 4.52 H new ATOM 0 HA LYS A 114 -10.449 -15.489 3.154 1.00 4.85 H new ATOM 0 HB2 LYS A 114 -9.888 -14.158 4.988 1.00 4.78 H new ATOM 0 HB3 LYS A 114 -10.751 -15.169 6.129 1.00 4.78 H new ATOM 0 HG2 LYS A 114 -8.923 -16.908 5.827 1.00 5.11 H new ATOM 0 HG3 LYS A 114 -8.038 -15.717 4.895 1.00 5.11 H new ATOM 0 HD2 LYS A 114 -8.035 -14.153 6.767 1.00 5.22 H new ATOM 0 HD3 LYS A 114 -9.113 -15.182 7.690 1.00 5.22 H new ATOM 0 HE2 LYS A 114 -7.288 -16.983 7.568 1.00 6.07 H new ATOM 0 HE3 LYS A 114 -6.227 -15.739 6.936 1.00 6.07 H new ATOM 0 HZ1 LYS A 114 -6.018 -15.937 9.328 1.00 6.75 H new ATOM 0 HZ2 LYS A 114 -6.645 -14.412 8.923 1.00 6.75 H new ATOM 0 HZ3 LYS A 114 -7.673 -15.617 9.535 1.00 6.75 H new ATOM 1491 N PRO A 115 -9.620 -17.857 3.331 1.00 6.36 N ATOM 1492 CA PRO A 115 -9.293 -19.285 3.251 1.00 7.42 C ATOM 1493 C PRO A 115 -9.036 -19.903 4.625 1.00 8.03 C ATOM 1494 O PRO A 115 -8.286 -19.353 5.430 1.00 8.08 O ATOM 1495 CB PRO A 115 -8.018 -19.319 2.406 1.00 7.93 C ATOM 1496 CG PRO A 115 -8.051 -18.058 1.620 1.00 7.30 C ATOM 1497 CD PRO A 115 -8.706 -17.040 2.507 1.00 6.27 C ATOM 0 HA PRO A 115 -10.115 -19.862 2.827 1.00 7.42 H new ATOM 0 HB2 PRO A 115 -7.128 -19.371 3.034 1.00 7.93 H new ATOM 0 HB3 PRO A 115 -7.999 -20.192 1.753 1.00 7.93 H new ATOM 0 HG2 PRO A 115 -7.045 -17.744 1.342 1.00 7.30 H new ATOM 0 HG3 PRO A 115 -8.612 -18.189 0.694 1.00 7.30 H new ATOM 0 HD2 PRO A 115 -7.977 -16.509 3.119 1.00 6.27 H new ATOM 0 HD3 PRO A 115 -9.245 -16.289 1.930 1.00 6.27 H new ATOM 1505 N PRO A 116 -9.674 -21.052 4.895 1.00 8.68 N ATOM 1506 CA PRO A 116 -9.532 -21.775 6.165 1.00 9.51 C ATOM 1507 C PRO A 116 -8.080 -22.070 6.531 1.00 10.48 C ATOM 1508 O PRO A 116 -7.595 -21.630 7.575 1.00 10.92 O ATOM 1509 CB PRO A 116 -10.281 -23.085 5.912 1.00 9.98 C ATOM 1510 CG PRO A 116 -11.275 -22.751 4.859 1.00 9.58 C ATOM 1511 CD PRO A 116 -10.617 -21.721 3.983 1.00 8.87 C ATOM 0 HA PRO A 116 -9.917 -21.188 6.999 1.00 9.51 H new ATOM 0 HB2 PRO A 116 -9.603 -23.872 5.582 1.00 9.98 H new ATOM 0 HB3 PRO A 116 -10.769 -23.444 6.818 1.00 9.98 H new ATOM 0 HG2 PRO A 116 -11.547 -23.636 4.284 1.00 9.58 H new ATOM 0 HG3 PRO A 116 -12.193 -22.361 5.298 1.00 9.58 H new ATOM 0 HD2 PRO A 116 -10.103 -22.180 3.139 1.00 8.87 H new ATOM 0 HD3 PRO A 116 -11.343 -21.021 3.571 1.00 8.87 H new ATOM 1519 N GLU A 117 -7.395 -22.820 5.671 1.00 10.96 N ATOM 1520 CA GLU A 117 -6.037 -23.264 5.953 1.00 11.99 C ATOM 1521 C GLU A 117 -5.033 -22.658 4.980 1.00 12.68 C ATOM 1522 O GLU A 117 -5.398 -22.143 3.924 1.00 12.96 O ATOM 1523 CB GLU A 117 -5.932 -24.794 5.892 1.00 12.67 C ATOM 1524 CG GLU A 117 -6.797 -25.519 6.909 1.00 13.04 C ATOM 1525 CD GLU A 117 -6.345 -25.280 8.334 1.00 13.71 C ATOM 1526 OE1 GLU A 117 -5.200 -25.643 8.669 1.00 13.79 O ATOM 1527 OE2 GLU A 117 -7.127 -24.703 9.116 1.00 14.28 O ATOM 0 H GLU A 117 -7.761 -23.132 4.772 1.00 10.96 H new ATOM 0 HA GLU A 117 -5.800 -22.924 6.961 1.00 11.99 H new ATOM 0 HB2 GLU A 117 -6.211 -25.126 4.892 1.00 12.67 H new ATOM 0 HB3 GLU A 117 -4.892 -25.082 6.045 1.00 12.67 H new ATOM 0 HG2 GLU A 117 -7.831 -25.192 6.800 1.00 13.04 H new ATOM 0 HG3 GLU A 117 -6.778 -26.589 6.700 1.00 13.04 H new ATOM 1534 N THR A 118 -3.766 -22.744 5.344 1.00 13.09 N ATOM 1535 CA THR A 118 -2.687 -22.311 4.479 1.00 13.91 C ATOM 1536 C THR A 118 -1.596 -23.380 4.477 1.00 14.25 C ATOM 1537 O THR A 118 -1.809 -24.477 4.993 1.00 14.32 O ATOM 1538 CB THR A 118 -2.121 -20.939 4.928 1.00 14.52 C ATOM 1539 OG1 THR A 118 -1.157 -20.447 3.980 1.00 14.48 O ATOM 1540 CG2 THR A 118 -1.482 -21.034 6.304 1.00 14.97 C ATOM 0 H THR A 118 -3.459 -23.114 6.243 1.00 13.09 H new ATOM 0 HA THR A 118 -3.070 -22.181 3.467 1.00 13.91 H new ATOM 0 HB THR A 118 -2.957 -20.241 4.978 1.00 14.52 H new ATOM 0 HG1 THR A 118 -0.446 -19.968 4.455 1.00 14.48 H new ATOM 0 HG21 THR A 118 -1.094 -20.057 6.593 1.00 14.97 H new ATOM 0 HG22 THR A 118 -2.228 -21.357 7.030 1.00 14.97 H new ATOM 0 HG23 THR A 118 -0.665 -21.755 6.277 1.00 14.97 H new ATOM 1548 N LEU A 119 -0.444 -23.086 3.894 1.00 14.62 N ATOM 1549 CA LEU A 119 0.659 -24.033 3.904 1.00 15.15 C ATOM 1550 C LEU A 119 1.841 -23.458 4.687 1.00 15.86 C ATOM 1551 O LEU A 119 1.839 -23.472 5.916 1.00 16.21 O ATOM 1552 CB LEU A 119 1.076 -24.408 2.475 1.00 15.53 C ATOM 1553 CG LEU A 119 2.016 -25.613 2.368 1.00 15.30 C ATOM 1554 CD1 LEU A 119 1.361 -26.852 2.962 1.00 15.43 C ATOM 1555 CD2 LEU A 119 2.410 -25.862 0.919 1.00 15.51 C ATOM 0 H LEU A 119 -0.250 -22.208 3.413 1.00 14.62 H new ATOM 0 HA LEU A 119 0.327 -24.945 4.400 1.00 15.15 H new ATOM 0 HB2 LEU A 119 0.178 -24.615 1.893 1.00 15.53 H new ATOM 0 HB3 LEU A 119 1.561 -23.546 2.017 1.00 15.53 H new ATOM 0 HG LEU A 119 2.921 -25.393 2.935 1.00 15.30 H new ATOM 0 HD11 LEU A 119 2.042 -27.699 2.878 1.00 15.43 H new ATOM 0 HD12 LEU A 119 1.131 -26.674 4.012 1.00 15.43 H new ATOM 0 HD13 LEU A 119 0.440 -27.071 2.421 1.00 15.43 H new ATOM 0 HD21 LEU A 119 3.078 -26.722 0.866 1.00 15.51 H new ATOM 0 HD22 LEU A 119 1.516 -26.060 0.328 1.00 15.51 H new ATOM 0 HD23 LEU A 119 2.919 -24.983 0.524 1.00 15.51 H new ATOM 1567 N ILE A 120 2.837 -22.935 3.981 1.00 16.20 N ATOM 1568 CA ILE A 120 3.968 -22.276 4.625 1.00 17.02 C ATOM 1569 C ILE A 120 4.007 -20.814 4.186 1.00 17.51 C ATOM 1570 O ILE A 120 4.779 -20.436 3.312 1.00 17.80 O ATOM 1571 CB ILE A 120 5.320 -22.953 4.280 1.00 17.69 C ATOM 1572 CG1 ILE A 120 5.216 -24.480 4.361 1.00 17.88 C ATOM 1573 CG2 ILE A 120 6.417 -22.463 5.218 1.00 18.24 C ATOM 1574 CD1 ILE A 120 4.888 -25.006 5.748 1.00 18.20 C ATOM 0 H ILE A 120 2.885 -22.954 2.962 1.00 16.20 H new ATOM 0 HA ILE A 120 3.830 -22.354 5.703 1.00 17.02 H new ATOM 0 HB ILE A 120 5.573 -22.679 3.256 1.00 17.69 H new ATOM 0 HG12 ILE A 120 4.449 -24.819 3.665 1.00 17.88 H new ATOM 0 HG13 ILE A 120 6.160 -24.916 4.032 1.00 17.88 H new ATOM 0 HG21 ILE A 120 7.359 -22.948 4.962 1.00 18.24 H new ATOM 0 HG22 ILE A 120 6.526 -21.383 5.117 1.00 18.24 H new ATOM 0 HG23 ILE A 120 6.152 -22.707 6.247 1.00 18.24 H new ATOM 0 HD11 ILE A 120 4.832 -26.094 5.721 1.00 18.20 H new ATOM 0 HD12 ILE A 120 5.667 -24.700 6.447 1.00 18.20 H new ATOM 0 HD13 ILE A 120 3.929 -24.602 6.073 1.00 18.20 H new ATOM 1586 N THR A 121 3.139 -20.003 4.766 1.00 17.74 N ATOM 1587 CA THR A 121 3.026 -18.605 4.381 1.00 18.36 C ATOM 1588 C THR A 121 4.042 -17.734 5.108 1.00 19.19 C ATOM 1589 O THR A 121 4.474 -16.702 4.592 1.00 19.58 O ATOM 1590 CB THR A 121 1.607 -18.088 4.671 1.00 18.34 C ATOM 1591 OG1 THR A 121 0.896 -19.060 5.454 1.00 18.55 O ATOM 1592 CG2 THR A 121 0.852 -17.803 3.378 1.00 18.03 C ATOM 0 H THR A 121 2.500 -20.289 5.508 1.00 17.74 H new ATOM 0 HA THR A 121 3.230 -18.544 3.312 1.00 18.36 H new ATOM 0 HB THR A 121 1.683 -17.154 5.227 1.00 18.34 H new ATOM 0 HG1 THR A 121 0.491 -18.621 6.231 1.00 18.55 H new ATOM 0 HG21 THR A 121 -0.148 -17.439 3.613 1.00 18.03 H new ATOM 0 HG22 THR A 121 1.387 -17.047 2.803 1.00 18.03 H new ATOM 0 HG23 THR A 121 0.776 -18.719 2.792 1.00 18.03 H new ATOM 1600 N THR A 122 4.437 -18.162 6.294 1.00 19.55 N ATOM 1601 CA THR A 122 5.325 -17.379 7.135 1.00 20.46 C ATOM 1602 C THR A 122 6.801 -17.644 6.817 1.00 21.12 C ATOM 1603 O THR A 122 7.581 -18.026 7.693 1.00 21.25 O ATOM 1604 CB THR A 122 5.039 -17.670 8.619 1.00 20.60 C ATOM 1605 OG1 THR A 122 4.871 -19.083 8.812 1.00 20.58 O ATOM 1606 CG2 THR A 122 3.784 -16.941 9.084 1.00 20.60 C ATOM 0 H THR A 122 4.154 -19.055 6.699 1.00 19.55 H new ATOM 0 HA THR A 122 5.132 -16.327 6.928 1.00 20.46 H new ATOM 0 HB THR A 122 5.885 -17.315 9.207 1.00 20.60 H new ATOM 0 HG1 THR A 122 4.691 -19.265 9.758 1.00 20.58 H new ATOM 0 HG21 THR A 122 3.603 -17.163 10.136 1.00 20.60 H new ATOM 0 HG22 THR A 122 3.919 -15.867 8.958 1.00 20.60 H new ATOM 0 HG23 THR A 122 2.931 -17.271 8.492 1.00 20.60 H new ATOM 1614 N ILE A 123 7.180 -17.429 5.561 1.00 21.64 N ATOM 1615 CA ILE A 123 8.572 -17.558 5.146 1.00 22.40 C ATOM 1616 C ILE A 123 9.218 -16.175 5.088 1.00 22.78 C ATOM 1617 O ILE A 123 9.597 -15.686 4.020 1.00 22.98 O ATOM 1618 CB ILE A 123 8.712 -18.260 3.770 1.00 23.08 C ATOM 1619 CG1 ILE A 123 7.892 -19.549 3.750 1.00 23.05 C ATOM 1620 CG2 ILE A 123 10.178 -18.565 3.469 1.00 23.52 C ATOM 1621 CD1 ILE A 123 7.974 -20.307 2.440 1.00 23.60 C ATOM 0 H ILE A 123 6.541 -17.164 4.812 1.00 21.64 H new ATOM 0 HA ILE A 123 9.080 -18.181 5.883 1.00 22.40 H new ATOM 0 HB ILE A 123 8.333 -17.588 3.000 1.00 23.08 H new ATOM 0 HG12 ILE A 123 8.233 -20.198 4.556 1.00 23.05 H new ATOM 0 HG13 ILE A 123 6.849 -19.308 3.955 1.00 23.05 H new ATOM 0 HG21 ILE A 123 10.256 -19.057 2.500 1.00 23.52 H new ATOM 0 HG22 ILE A 123 10.747 -17.635 3.450 1.00 23.52 H new ATOM 0 HG23 ILE A 123 10.579 -19.220 4.242 1.00 23.52 H new ATOM 0 HD11 ILE A 123 7.366 -21.210 2.503 1.00 23.60 H new ATOM 0 HD12 ILE A 123 7.604 -19.677 1.631 1.00 23.60 H new ATOM 0 HD13 ILE A 123 9.010 -20.581 2.242 1.00 23.60 H new ATOM 1633 N ASP A 124 9.309 -15.535 6.249 1.00 22.96 N ATOM 1634 CA ASP A 124 9.931 -14.221 6.356 1.00 23.43 C ATOM 1635 C ASP A 124 11.434 -14.354 6.191 1.00 23.78 C ATOM 1636 O ASP A 124 12.020 -13.833 5.239 1.00 23.78 O ATOM 1637 CB ASP A 124 9.606 -13.581 7.710 1.00 23.94 C ATOM 1638 CG ASP A 124 10.156 -12.175 7.844 1.00 24.17 C ATOM 1639 OD1 ASP A 124 11.315 -12.020 8.272 1.00 24.41 O ATOM 1640 OD2 ASP A 124 9.415 -11.215 7.539 1.00 24.20 O ATOM 0 H ASP A 124 8.958 -15.907 7.132 1.00 22.96 H new ATOM 0 HA ASP A 124 9.536 -13.579 5.568 1.00 23.43 H new ATOM 0 HB2 ASP A 124 8.525 -13.557 7.845 1.00 23.94 H new ATOM 0 HB3 ASP A 124 10.013 -14.203 8.507 1.00 23.94 H new ATOM 1645 N SER A 125 12.048 -15.066 7.127 1.00 24.16 N ATOM 1646 CA SER A 125 13.474 -15.332 7.080 1.00 24.63 C ATOM 1647 C SER A 125 13.755 -16.789 6.699 1.00 24.84 C ATOM 1648 O SER A 125 14.648 -17.075 5.907 1.00 25.03 O ATOM 1649 CB SER A 125 14.100 -15.012 8.436 1.00 25.24 C ATOM 1650 OG SER A 125 13.468 -15.736 9.482 1.00 25.57 O ATOM 0 H SER A 125 11.573 -15.471 7.933 1.00 24.16 H new ATOM 0 HA SER A 125 13.918 -14.696 6.314 1.00 24.63 H new ATOM 0 HB2 SER A 125 15.163 -15.254 8.414 1.00 25.24 H new ATOM 0 HB3 SER A 125 14.021 -13.943 8.632 1.00 25.24 H new ATOM 0 HG SER A 125 12.543 -15.428 9.580 1.00 25.57 H new ATOM 1656 N SER A 126 12.986 -17.702 7.285 1.00 24.89 N ATOM 1657 CA SER A 126 13.162 -19.135 7.060 1.00 25.18 C ATOM 1658 C SER A 126 11.906 -19.890 7.485 1.00 25.41 C ATOM 1659 O SER A 126 11.127 -20.354 6.652 1.00 25.51 O ATOM 1660 CB SER A 126 14.380 -19.642 7.848 1.00 25.59 C ATOM 1661 OG SER A 126 14.310 -19.246 9.213 1.00 25.84 O ATOM 0 H SER A 126 12.227 -17.472 7.926 1.00 24.89 H new ATOM 0 HA SER A 126 13.332 -19.310 5.998 1.00 25.18 H new ATOM 0 HB2 SER A 126 14.431 -20.729 7.784 1.00 25.59 H new ATOM 0 HB3 SER A 126 15.294 -19.253 7.400 1.00 25.59 H new ATOM 0 HG SER A 126 15.096 -19.583 9.692 1.00 25.84 H new ATOM 1667 N SER A 127 11.727 -20.002 8.787 1.00 25.58 N ATOM 1668 CA SER A 127 10.531 -20.588 9.356 1.00 25.89 C ATOM 1669 C SER A 127 9.969 -19.637 10.408 1.00 26.06 C ATOM 1670 O SER A 127 9.200 -20.028 11.281 1.00 26.48 O ATOM 1671 CB SER A 127 10.840 -21.966 9.951 1.00 26.15 C ATOM 1672 OG SER A 127 12.047 -21.947 10.702 1.00 26.55 O ATOM 0 H SER A 127 12.407 -19.689 9.479 1.00 25.58 H new ATOM 0 HA SER A 127 9.782 -20.734 8.578 1.00 25.89 H new ATOM 0 HB2 SER A 127 10.016 -22.281 10.591 1.00 26.15 H new ATOM 0 HB3 SER A 127 10.920 -22.701 9.150 1.00 26.15 H new ATOM 0 HG SER A 127 12.217 -22.839 11.071 1.00 26.55 H new ATOM 1678 N SER A 128 10.380 -18.385 10.301 1.00 25.83 N ATOM 1679 CA SER A 128 9.935 -17.330 11.184 1.00 26.03 C ATOM 1680 C SER A 128 9.878 -16.052 10.370 1.00 25.96 C ATOM 1681 O SER A 128 10.845 -15.803 9.612 1.00 26.15 O ATOM 1682 CB SER A 128 10.891 -17.174 12.378 1.00 26.24 C ATOM 1683 OG SER A 128 10.391 -16.252 13.340 1.00 26.24 O ATOM 1684 OXT SER A 128 8.876 -15.321 10.480 1.00 25.79 O ATOM 0 H SER A 128 11.040 -18.073 9.589 1.00 25.83 H new ATOM 0 HA SER A 128 8.953 -17.566 11.593 1.00 26.03 H new ATOM 0 HB2 SER A 128 11.044 -18.144 12.850 1.00 26.24 H new ATOM 0 HB3 SER A 128 11.864 -16.836 12.022 1.00 26.24 H new ATOM 0 HG SER A 128 11.024 -16.180 14.084 1.00 26.24 H new TER 1690 SER A 128 HETATM 1691 FE HEM A 129 -5.762 13.990 -3.614 1.00 0.38 FE HETATM 1692 CHA HEM A 129 -6.068 16.615 -5.794 1.00 0.50 C HETATM 1693 CHB HEM A 129 -2.944 12.864 -5.346 1.00 0.41 C HETATM 1694 CHC HEM A 129 -5.462 11.272 -1.449 1.00 0.38 C HETATM 1695 CHD HEM A 129 -8.593 15.037 -1.885 1.00 0.47 C HETATM 1696 NA HEM A 129 -4.664 14.655 -5.239 1.00 0.41 N HETATM 1697 C1A HEM A 129 -4.983 15.758 -5.961 1.00 0.46 C HETATM 1698 C2A HEM A 129 -3.989 15.916 -6.995 1.00 0.49 C HETATM 1699 C3A HEM A 129 -3.059 14.897 -6.825 1.00 0.47 C HETATM 1700 C4A HEM A 129 -3.546 14.060 -5.753 1.00 0.42 C HETATM 1701 CMA HEM A 129 -1.778 14.672 -7.592 1.00 0.54 C HETATM 1702 CAA HEM A 129 -4.043 17.013 -8.048 1.00 0.58 C HETATM 1703 CBA HEM A 129 -2.841 17.530 -8.850 1.00 0.94 C HETATM 1704 CGA HEM A 129 -3.012 17.559 -10.370 1.00 1.22 C HETATM 1705 O1A HEM A 129 -2.068 18.059 -11.016 1.00 2.03 O HETATM 1706 O2A HEM A 129 -4.064 17.091 -10.870 1.00 1.18 O HETATM 1707 NB HEM A 129 -4.435 12.413 -3.405 1.00 0.36 N HETATM 1708 C1B HEM A 129 -3.354 12.171 -4.217 1.00 0.37 C HETATM 1709 C2B HEM A 129 -2.647 11.035 -3.694 1.00 0.37 C HETATM 1710 C3B HEM A 129 -3.324 10.638 -2.571 1.00 0.35 C HETATM 1711 C4B HEM A 129 -4.499 11.457 -2.425 1.00 0.35 C HETATM 1712 CMB HEM A 129 -1.404 10.443 -4.295 1.00 0.43 C HETATM 1713 CAB HEM A 129 -2.915 9.533 -1.625 1.00 0.38 C HETATM 1714 CBB HEM A 129 -2.996 8.233 -1.964 1.00 0.52 C HETATM 1715 NC HEM A 129 -6.843 13.275 -1.967 1.00 0.39 N HETATM 1716 C1C HEM A 129 -6.520 12.150 -1.248 1.00 0.40 C HETATM 1717 C2C HEM A 129 -7.482 12.011 -0.185 1.00 0.49 C HETATM 1718 C3C HEM A 129 -8.357 13.073 -0.312 1.00 0.47 C HETATM 1719 C4C HEM A 129 -7.957 13.873 -1.444 1.00 0.43 C HETATM 1720 CMC HEM A 129 -7.494 10.911 0.853 1.00 0.64 C HETATM 1721 CAC HEM A 129 -9.548 13.371 0.582 1.00 0.55 C HETATM 1722 CBC HEM A 129 -9.506 13.319 1.932 1.00 0.66 C HETATM 1723 ND HEM A 129 -7.100 15.526 -3.819 1.00 0.44 N HETATM 1724 C1D HEM A 129 -8.180 15.753 -3.013 1.00 0.47 C HETATM 1725 C2D HEM A 129 -8.877 16.898 -3.542 1.00 0.54 C HETATM 1726 C3D HEM A 129 -8.225 17.273 -4.701 1.00 0.55 C HETATM 1727 C4D HEM A 129 -7.045 16.453 -4.812 1.00 0.49 C HETATM 1728 CMD HEM A 129 -10.094 17.538 -2.917 1.00 0.62 C HETATM 1729 CAD HEM A 129 -8.635 18.339 -5.697 1.00 0.65 C HETATM 1730 CBD HEM A 129 -8.431 19.841 -5.498 1.00 1.49 C HETATM 1731 CGD HEM A 129 -9.551 20.497 -4.698 1.00 2.30 C HETATM 1732 O1D HEM A 129 -9.234 21.036 -3.619 1.00 3.20 O HETATM 1733 O2D HEM A 129 -10.705 20.457 -5.179 1.00 2.66 O HETATM 0 HMA1 HEM A 129 -1.890 15.054 -8.607 1.00 0.54 H new HETATM 0 HMA2 HEM A 129 -1.558 13.605 -7.628 1.00 0.54 H new HETATM 0 HMA3 HEM A 129 -0.960 15.194 -7.095 1.00 0.54 H new HETATM 0 HMB1 HEM A 129 -1.411 10.601 -5.374 1.00 0.43 H new HETATM 0 HMB2 HEM A 129 -1.372 9.374 -4.085 1.00 0.43 H new HETATM 0 HMB3 HEM A 129 -0.526 10.924 -3.863 1.00 0.43 H new HETATM 0 HMC1 HEM A 129 -7.068 10.003 0.426 1.00 0.64 H new HETATM 0 HMC2 HEM A 129 -8.520 10.718 1.167 1.00 0.64 H new HETATM 0 HMC3 HEM A 129 -6.903 11.218 1.716 1.00 0.64 H new HETATM 0 HMD1 HEM A 129 -10.669 16.782 -2.382 1.00 0.62 H new HETATM 0 HMD2 HEM A 129 -10.714 17.980 -3.697 1.00 0.62 H new HETATM 0 HMD3 HEM A 129 -9.779 18.315 -2.220 1.00 0.62 H new HETATM 0 HBB1 HEM A 129 -2.691 7.465 -1.254 1.00 0.52 H new HETATM 0 HBB2 HEM A 129 -3.366 7.949 -2.949 1.00 0.52 H new HETATM 0 HBC1 HEM A 129 -10.399 13.545 2.514 1.00 0.66 H new HETATM 0 HBC2 HEM A 129 -8.579 13.051 2.438 1.00 0.66 H new HETATM 0 HBA1 HEM A 129 -1.977 16.909 -8.613 1.00 0.94 H new HETATM 0 HBA2 HEM A 129 -2.610 18.540 -8.511 1.00 0.94 H new HETATM 0 HAA1 HEM A 129 -4.466 17.885 -7.549 1.00 0.58 H new HETATM 0 HAA2 HEM A 129 -4.774 16.682 -8.786 1.00 0.58 H new HETATM 0 HBD1 HEM A 129 -8.358 20.324 -6.473 1.00 1.49 H new HETATM 0 HBD2 HEM A 129 -7.482 20.008 -4.988 1.00 1.49 H new HETATM 0 HAD1 HEM A 129 -9.703 18.200 -5.864 1.00 0.65 H new HETATM 0 HAD2 HEM A 129 -8.131 18.088 -6.631 1.00 0.65 H new HETATM 0 HHA HEM A 129 -6.158 17.456 -6.466 1.00 0.50 H new HETATM 0 HHB HEM A 129 -2.130 12.466 -5.933 1.00 0.41 H new HETATM 0 HHC HEM A 129 -5.388 10.403 -0.812 1.00 0.38 H new HETATM 0 HHD HEM A 129 -9.444 15.401 -1.328 1.00 0.47 H new HETATM 0 HAB HEM A 129 -2.542 9.797 -0.635 1.00 0.38 H new HETATM 0 HAC HEM A 129 -10.491 13.642 0.108 1.00 0.55 H new