USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 773 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 GLN : amide:sc= 0.155 X(o=0.24,f=0.082) USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0.0817 USER MOD Set 2.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 87 ASN : amide:sc= -0.328 K(o=-0.33,f=-3!) USER MOD Set 3.1: A 41 GLN : amide:sc= -0.984 K(o=-0.15,f=0.85) USER MOD Set 3.2: A 43 ASN : amide:sc= 0.834 K(o=-0.15,f=-0.98) USER MOD Set 4.1: A 38 ASN : amide:sc= 1.96 K(o=3.6,f=-9.3!) USER MOD Set 4.2: A 60 LYS NZ :NH3+ 166:sc= 1.67 (180deg=0.307) USER MOD Single : A 32 GLN : amide:sc= -2.69! K(o=-2.7!,f=-1.3) USER MOD Single : A 42 TYR OH : rot 21:sc= 1.26 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0981 USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= 0.113 (180deg=-0.0425) USER MOD Single : A 56 GLN : amide:sc= 0.629 K(o=0.63,f=0) USER MOD Single : A 61 ASN : amide:sc= -1.23! K(o=-1.2!,f=-0.44) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 72 SER OG : rot -85:sc= 1.26 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 148:sc= 1.14 (180deg=0.741) USER MOD Single : A 89 ASN : amide:sc= -0.581 X(o=-0.58,f=-0.8) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 151:sc= -0.372 (180deg=-1.32!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.61 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 134:sc= -0.139 (180deg=-0.759) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 166:sc= -0.742! (180deg=-0.898!) USER MOD Single : A 106 LYS NZ :NH3+ -138:sc= 0.919 (180deg=0.556) USER MOD Single : A 108 HIS : no HE2:sc= -2! K(o=-2!,f=0.00079) USER MOD Single : A 109 MET CE :methyl -152:sc= -3.3 (180deg=-4.78!) USER MOD Single : A 110 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0688) USER MOD Single : A 111 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.22) USER MOD Single : A 114 SER OG : rot 180:sc= 0.0296 USER MOD Single : A 117 SER OG : rot -65:sc= 0.808 USER MOD Single : A 118 TYR OH : rot 25:sc= -0.0115 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 HC4 O4' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 26 11.814 -9.251 -1.692 1.00 8.65 N ATOM 2 CA LEU A 26 10.344 -9.120 -1.801 1.00 7.71 C ATOM 3 C LEU A 26 9.945 -8.918 -3.257 1.00 6.76 C ATOM 4 O LEU A 26 10.809 -8.805 -4.128 1.00 6.84 O ATOM 5 CB LEU A 26 9.856 -7.939 -0.956 1.00 7.84 C ATOM 6 CG LEU A 26 10.146 -8.047 0.542 1.00 8.33 C ATOM 7 CD1 LEU A 26 9.661 -6.803 1.271 1.00 8.50 C ATOM 8 CD2 LEU A 26 9.490 -9.290 1.124 1.00 8.72 C ATOM 0 HA LEU A 26 9.881 -10.034 -1.430 1.00 7.71 H new ATOM 0 HB2 LEU A 26 10.317 -7.027 -1.334 1.00 7.84 H new ATOM 0 HB3 LEU A 26 8.780 -7.833 -1.095 1.00 7.84 H new ATOM 0 HG LEU A 26 11.225 -8.129 0.677 1.00 8.33 H new ATOM 0 HD11 LEU A 26 9.876 -6.898 2.335 1.00 8.50 H new ATOM 0 HD12 LEU A 26 10.173 -5.926 0.874 1.00 8.50 H new ATOM 0 HD13 LEU A 26 8.586 -6.692 1.126 1.00 8.50 H new ATOM 0 HD21 LEU A 26 9.707 -9.350 2.190 1.00 8.72 H new ATOM 0 HD22 LEU A 26 8.412 -9.236 0.976 1.00 8.72 H new ATOM 0 HD23 LEU A 26 9.881 -10.176 0.623 1.00 8.72 H new ATOM 20 N ALA A 27 8.646 -8.865 -3.520 1.00 6.18 N ATOM 21 CA ALA A 27 8.149 -8.657 -4.871 1.00 5.48 C ATOM 22 C ALA A 27 7.735 -7.203 -5.065 1.00 4.38 C ATOM 23 O ALA A 27 6.684 -6.775 -4.592 1.00 4.57 O ATOM 24 CB ALA A 27 6.981 -9.590 -5.161 1.00 6.04 C ATOM 0 H ALA A 27 7.917 -8.964 -2.813 1.00 6.18 H new ATOM 0 HA ALA A 27 8.950 -8.885 -5.574 1.00 5.48 H new ATOM 0 HB1 ALA A 27 6.623 -9.420 -6.176 1.00 6.04 H new ATOM 0 HB2 ALA A 27 7.308 -10.625 -5.061 1.00 6.04 H new ATOM 0 HB3 ALA A 27 6.175 -9.394 -4.454 1.00 6.04 H new ATOM 30 N PHE A 28 8.574 -6.443 -5.752 1.00 3.64 N ATOM 31 CA PHE A 28 8.320 -5.022 -5.955 1.00 2.91 C ATOM 32 C PHE A 28 7.351 -4.792 -7.105 1.00 1.94 C ATOM 33 O PHE A 28 7.488 -5.384 -8.178 1.00 2.30 O ATOM 34 CB PHE A 28 9.628 -4.270 -6.207 1.00 3.48 C ATOM 35 CG PHE A 28 10.284 -3.772 -4.950 1.00 4.19 C ATOM 36 CD1 PHE A 28 10.491 -2.416 -4.757 1.00 4.76 C ATOM 37 CD2 PHE A 28 10.681 -4.653 -3.956 1.00 4.70 C ATOM 38 CE1 PHE A 28 11.082 -1.948 -3.599 1.00 5.72 C ATOM 39 CE2 PHE A 28 11.273 -4.191 -2.797 1.00 5.68 C ATOM 40 CZ PHE A 28 11.473 -2.837 -2.618 1.00 6.15 C ATOM 0 H PHE A 28 9.436 -6.784 -6.178 1.00 3.64 H new ATOM 0 HA PHE A 28 7.863 -4.635 -5.044 1.00 2.91 H new ATOM 0 HB2 PHE A 28 10.320 -4.927 -6.733 1.00 3.48 H new ATOM 0 HB3 PHE A 28 9.430 -3.423 -6.864 1.00 3.48 H new ATOM 0 HD1 PHE A 28 10.187 -1.716 -5.521 1.00 4.76 H new ATOM 0 HD2 PHE A 28 10.525 -5.713 -4.090 1.00 4.70 H new ATOM 0 HE1 PHE A 28 11.238 -0.888 -3.462 1.00 5.72 H new ATOM 0 HE2 PHE A 28 11.579 -4.888 -2.031 1.00 5.68 H new ATOM 0 HZ PHE A 28 11.935 -2.474 -1.712 1.00 6.15 H new ATOM 50 N GLY A 29 6.368 -3.936 -6.863 1.00 1.43 N ATOM 51 CA GLY A 29 5.378 -3.627 -7.871 1.00 0.99 C ATOM 52 C GLY A 29 4.359 -2.622 -7.372 1.00 0.78 C ATOM 53 O GLY A 29 4.664 -1.789 -6.516 1.00 1.00 O ATOM 0 H GLY A 29 6.240 -3.447 -5.977 1.00 1.43 H new ATOM 0 HA2 GLY A 29 5.874 -3.232 -8.758 1.00 0.99 H new ATOM 0 HA3 GLY A 29 4.868 -4.542 -8.172 1.00 0.99 H new ATOM 57 N ALA A 30 3.145 -2.712 -7.894 1.00 0.70 N ATOM 58 CA ALA A 30 2.076 -1.793 -7.532 1.00 0.54 C ATOM 59 C ALA A 30 0.871 -2.568 -7.014 1.00 0.49 C ATOM 60 O ALA A 30 0.302 -3.393 -7.731 1.00 0.60 O ATOM 61 CB ALA A 30 1.671 -0.970 -8.744 1.00 0.68 C ATOM 0 H ALA A 30 2.874 -3.420 -8.577 1.00 0.70 H new ATOM 0 HA ALA A 30 2.435 -1.127 -6.747 1.00 0.54 H new ATOM 0 HB1 ALA A 30 0.871 -0.284 -8.467 1.00 0.68 H new ATOM 0 HB2 ALA A 30 2.529 -0.401 -9.101 1.00 0.68 H new ATOM 0 HB3 ALA A 30 1.322 -1.634 -9.535 1.00 0.68 H new ATOM 67 N ILE A 31 0.482 -2.321 -5.778 1.00 0.40 N ATOM 68 CA ILE A 31 -0.683 -2.982 -5.219 1.00 0.39 C ATOM 69 C ILE A 31 -1.811 -1.984 -4.999 1.00 0.35 C ATOM 70 O ILE A 31 -1.576 -0.833 -4.645 1.00 0.36 O ATOM 71 CB ILE A 31 -0.379 -3.676 -4.109 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.594 -4.254 -3.379 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.498 -2.869 -3.155 1.00 0.52 C ATOM 74 CD1 ILE A 31 -2.191 -3.372 -2.295 1.00 0.90 C ATOM 0 H ILE A 31 0.951 -1.673 -5.145 1.00 0.40 H new ATOM 0 HA ILE A 31 -1.038 -3.716 -5.942 1.00 0.39 H new ATOM 0 HB ILE A 31 0.193 -4.533 -4.463 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -2.369 -4.469 -4.115 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -1.307 -5.205 -2.931 1.00 0.48 H new ATOM 0 HG21 ILE A 31 0.720 -3.467 -2.271 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.429 -2.601 -3.655 1.00 0.52 H new ATOM 0 HG23 ILE A 31 -0.028 -1.962 -2.857 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -3.045 -3.878 -1.844 1.00 0.90 H new ATOM 0 HD12 ILE A 31 -1.439 -3.176 -1.530 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -2.518 -2.429 -2.732 1.00 0.90 H new ATOM 86 N GLN A 32 -3.022 -2.404 -5.321 1.00 0.38 N ATOM 87 CA GLN A 32 -4.191 -1.584 -5.091 1.00 0.40 C ATOM 88 C GLN A 32 -5.032 -2.168 -3.979 1.00 0.37 C ATOM 89 O GLN A 32 -5.388 -3.353 -3.994 1.00 0.44 O ATOM 90 CB GLN A 32 -5.033 -1.423 -6.356 1.00 0.50 C ATOM 91 CG GLN A 32 -5.562 -2.719 -6.944 1.00 0.55 C ATOM 92 CD GLN A 32 -6.775 -2.499 -7.825 1.00 1.11 C ATOM 93 OE1 GLN A 32 -6.658 -2.311 -9.031 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.953 -2.521 -7.225 1.00 0.93 N ATOM 0 H GLN A 32 -3.218 -3.311 -5.744 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.842 -0.594 -4.798 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -5.878 -0.772 -6.132 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -4.433 -0.917 -7.112 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -4.775 -3.199 -7.526 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -5.822 -3.402 -6.136 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -8.010 -2.680 -6.219 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.805 -2.379 -7.768 1.00 0.93 H new ATOM 103 N LEU A 33 -5.328 -1.342 -3.010 1.00 0.34 N ATOM 104 CA LEU A 33 -6.165 -1.748 -1.900 1.00 0.36 C ATOM 105 C LEU A 33 -7.411 -0.893 -1.866 1.00 0.35 C ATOM 106 O LEU A 33 -7.445 0.185 -2.451 1.00 0.43 O ATOM 107 CB LEU A 33 -5.385 -1.674 -0.578 1.00 0.45 C ATOM 108 CG LEU A 33 -4.677 -0.346 -0.272 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.653 0.705 0.235 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.562 -0.562 0.737 1.00 0.71 C ATOM 0 H LEU A 33 -5.002 -0.377 -2.963 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.468 -2.786 -2.035 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -6.076 -1.888 0.238 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.637 -2.467 -0.579 1.00 0.45 H new ATOM 0 HG LEU A 33 -4.247 0.023 -1.203 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -5.116 1.631 0.441 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -6.416 0.888 -0.522 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -6.128 0.350 1.150 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -3.069 0.388 0.944 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.980 -0.963 1.661 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.836 -1.266 0.331 1.00 0.71 H new ATOM 122 N ASP A 34 -8.441 -1.380 -1.221 1.00 0.35 N ATOM 123 CA ASP A 34 -9.654 -0.589 -1.076 1.00 0.45 C ATOM 124 C ASP A 34 -9.525 0.344 0.112 1.00 0.53 C ATOM 125 O ASP A 34 -8.812 0.058 1.074 1.00 0.58 O ATOM 126 CB ASP A 34 -10.909 -1.458 -0.949 1.00 0.55 C ATOM 127 CG ASP A 34 -10.811 -2.487 0.148 1.00 0.65 C ATOM 128 OD1 ASP A 34 -10.858 -2.108 1.341 1.00 0.88 O ATOM 129 OD2 ASP A 34 -10.700 -3.681 -0.186 1.00 1.15 O ATOM 0 H ASP A 34 -8.473 -2.305 -0.791 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.772 -0.001 -1.986 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.770 -0.816 -0.760 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -11.090 -1.964 -1.897 1.00 0.55 H new ATOM 134 N GLY A 35 -10.221 1.467 0.031 1.00 0.67 N ATOM 135 CA GLY A 35 -10.119 2.489 1.056 1.00 0.84 C ATOM 136 C GLY A 35 -10.818 2.098 2.338 1.00 0.85 C ATOM 137 O GLY A 35 -10.906 2.886 3.277 1.00 1.20 O ATOM 0 H GLY A 35 -10.860 1.692 -0.732 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -9.067 2.685 1.265 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -10.548 3.418 0.681 1.00 0.84 H new ATOM 141 N ASP A 36 -11.311 0.879 2.378 1.00 0.69 N ATOM 142 CA ASP A 36 -12.009 0.379 3.542 1.00 0.83 C ATOM 143 C ASP A 36 -11.012 -0.260 4.496 1.00 0.83 C ATOM 144 O ASP A 36 -11.099 -0.093 5.715 1.00 1.10 O ATOM 145 CB ASP A 36 -13.069 -0.626 3.112 1.00 0.89 C ATOM 146 CG ASP A 36 -13.999 -1.016 4.248 1.00 1.24 C ATOM 147 OD1 ASP A 36 -14.853 -0.192 4.627 1.00 1.81 O ATOM 148 OD2 ASP A 36 -13.883 -2.157 4.756 1.00 1.77 O ATOM 0 H ASP A 36 -11.240 0.211 1.610 1.00 0.69 H new ATOM 0 HA ASP A 36 -12.504 1.202 4.057 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -13.655 -0.203 2.296 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -12.581 -1.520 2.724 1.00 0.89 H new ATOM 153 N GLY A 37 -10.047 -0.966 3.927 1.00 0.67 N ATOM 154 CA GLY A 37 -9.001 -1.573 4.724 1.00 0.81 C ATOM 155 C GLY A 37 -8.713 -2.994 4.291 1.00 0.78 C ATOM 156 O GLY A 37 -8.439 -3.870 5.123 1.00 1.05 O ATOM 0 H GLY A 37 -9.969 -1.130 2.923 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -8.092 -0.978 4.643 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -9.294 -1.566 5.774 1.00 0.81 H new ATOM 160 N ASN A 38 -8.778 -3.230 2.990 1.00 0.61 N ATOM 161 CA ASN A 38 -8.593 -4.563 2.441 1.00 0.73 C ATOM 162 C ASN A 38 -7.723 -4.505 1.190 1.00 0.57 C ATOM 163 O ASN A 38 -7.675 -3.489 0.499 1.00 0.49 O ATOM 164 CB ASN A 38 -9.951 -5.191 2.105 1.00 0.95 C ATOM 165 CG ASN A 38 -10.940 -5.141 3.251 1.00 1.13 C ATOM 166 OD1 ASN A 38 -10.984 -6.045 4.090 1.00 1.57 O ATOM 167 ND2 ASN A 38 -11.746 -4.090 3.286 1.00 1.38 N ATOM 0 H ASN A 38 -8.959 -2.510 2.291 1.00 0.61 H new ATOM 0 HA ASN A 38 -8.093 -5.179 3.188 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.378 -4.676 1.245 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -9.799 -6.230 1.811 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -12.440 -4.004 4.029 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -11.673 -3.367 2.570 1.00 1.38 H new ATOM 174 N ILE A 39 -7.024 -5.597 0.921 1.00 0.65 N ATOM 175 CA ILE A 39 -6.148 -5.698 -0.235 1.00 0.57 C ATOM 176 C ILE A 39 -6.888 -6.358 -1.397 1.00 0.59 C ATOM 177 O ILE A 39 -7.374 -7.481 -1.271 1.00 0.77 O ATOM 178 CB ILE A 39 -5.078 -6.425 0.064 1.00 0.62 C ATOM 179 CG1 ILE A 39 -4.319 -5.841 1.259 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.150 -6.566 -1.144 1.00 0.61 C ATOM 181 CD1 ILE A 39 -3.745 -4.462 1.018 1.00 1.18 C ATOM 0 H ILE A 39 -7.048 -6.438 1.498 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.838 -4.693 -0.522 1.00 0.57 H new ATOM 0 HB ILE A 39 -5.430 -7.418 0.342 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -4.992 -5.797 2.116 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -3.507 -6.518 1.525 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.283 -7.166 -0.869 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -4.685 -7.054 -1.959 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -3.820 -5.578 -1.467 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -3.224 -4.123 1.914 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -3.045 -4.500 0.184 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -4.552 -3.768 0.783 1.00 1.18 H new ATOM 193 N LEU A 40 -6.953 -5.674 -2.532 1.00 0.51 N ATOM 194 CA LEU A 40 -7.746 -6.155 -3.653 1.00 0.61 C ATOM 195 C LEU A 40 -6.872 -6.787 -4.735 1.00 0.60 C ATOM 196 O LEU A 40 -7.117 -7.918 -5.158 1.00 0.72 O ATOM 197 CB LEU A 40 -8.580 -5.011 -4.241 1.00 0.66 C ATOM 198 CG LEU A 40 -9.552 -5.414 -5.352 1.00 1.07 C ATOM 199 CD1 LEU A 40 -10.486 -6.512 -4.874 1.00 1.56 C ATOM 200 CD2 LEU A 40 -10.355 -4.209 -5.811 1.00 1.54 C ATOM 0 H LEU A 40 -6.470 -4.791 -2.699 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.415 -6.929 -3.278 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -9.148 -4.546 -3.435 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -7.902 -4.253 -4.632 1.00 0.66 H new ATOM 0 HG LEU A 40 -8.973 -5.794 -6.194 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -11.169 -6.784 -5.678 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -9.902 -7.385 -4.583 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -11.058 -6.156 -4.017 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -11.043 -4.510 -6.602 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -10.921 -3.808 -4.971 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -9.678 -3.444 -6.191 1.00 1.54 H new ATOM 212 N GLN A 41 -5.852 -6.068 -5.179 1.00 0.50 N ATOM 213 CA GLN A 41 -5.017 -6.548 -6.280 1.00 0.55 C ATOM 214 C GLN A 41 -3.551 -6.187 -6.064 1.00 0.46 C ATOM 215 O GLN A 41 -3.203 -5.017 -5.927 1.00 0.46 O ATOM 216 CB GLN A 41 -5.518 -5.960 -7.601 1.00 0.67 C ATOM 217 CG GLN A 41 -4.663 -6.306 -8.810 1.00 1.08 C ATOM 218 CD GLN A 41 -5.156 -5.621 -10.073 1.00 1.73 C ATOM 219 OE1 GLN A 41 -4.373 -5.293 -10.966 1.00 2.41 O ATOM 220 NE2 GLN A 41 -6.459 -5.408 -10.161 1.00 2.37 N ATOM 0 H GLN A 41 -5.581 -5.160 -4.802 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.089 -7.635 -6.316 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -6.534 -6.311 -7.778 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.568 -4.875 -7.506 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -3.630 -6.014 -8.619 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -4.666 -7.386 -8.959 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -7.075 -5.694 -9.400 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -6.847 -4.958 -10.990 1.00 2.37 H new ATOM 229 N TYR A 42 -2.698 -7.200 -6.048 1.00 0.57 N ATOM 230 CA TYR A 42 -1.267 -7.008 -5.840 1.00 0.58 C ATOM 231 C TYR A 42 -0.509 -7.387 -7.107 1.00 0.65 C ATOM 232 O TYR A 42 -0.395 -8.567 -7.435 1.00 0.79 O ATOM 233 CB TYR A 42 -0.798 -7.871 -4.657 1.00 0.71 C ATOM 234 CG TYR A 42 0.645 -7.654 -4.233 1.00 0.82 C ATOM 235 CD1 TYR A 42 1.677 -8.375 -4.819 1.00 1.09 C ATOM 236 CD2 TYR A 42 0.976 -6.713 -3.264 1.00 0.82 C ATOM 237 CE1 TYR A 42 2.995 -8.167 -4.453 1.00 1.26 C ATOM 238 CE2 TYR A 42 2.292 -6.502 -2.890 1.00 1.02 C ATOM 239 CZ TYR A 42 3.284 -7.283 -3.423 1.00 1.21 C ATOM 240 OH TYR A 42 4.606 -7.015 -3.124 1.00 1.42 O ATOM 0 H TYR A 42 -2.974 -8.173 -6.178 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.068 -5.961 -5.613 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -1.445 -7.672 -3.803 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -0.930 -8.921 -4.919 1.00 0.71 H new ATOM 0 HD1 TYR A 42 1.447 -9.112 -5.574 1.00 1.09 H new ATOM 0 HD2 TYR A 42 0.192 -6.137 -2.795 1.00 0.82 H new ATOM 0 HE1 TYR A 42 3.791 -8.688 -4.964 1.00 1.26 H new ATOM 0 HE2 TYR A 42 2.536 -5.725 -2.181 1.00 1.02 H new ATOM 0 HH TYR A 42 5.167 -7.231 -3.898 1.00 1.42 H new ATOM 250 N ASN A 43 -0.011 -6.390 -7.830 1.00 0.63 N ATOM 251 CA ASN A 43 0.712 -6.651 -9.070 1.00 0.75 C ATOM 252 C ASN A 43 2.158 -7.023 -8.778 1.00 0.92 C ATOM 253 O ASN A 43 3.018 -6.156 -8.612 1.00 1.02 O ATOM 254 CB ASN A 43 0.667 -5.448 -10.023 1.00 0.78 C ATOM 255 CG ASN A 43 -0.728 -5.142 -10.536 1.00 0.73 C ATOM 256 OD1 ASN A 43 -1.180 -5.707 -11.534 1.00 1.21 O ATOM 257 ND2 ASN A 43 -1.410 -4.224 -9.868 1.00 0.88 N ATOM 0 H ASN A 43 -0.093 -5.404 -7.583 1.00 0.63 H new ATOM 0 HA ASN A 43 0.216 -7.488 -9.561 1.00 0.75 H new ATOM 0 HB2 ASN A 43 1.058 -4.570 -9.508 1.00 0.78 H new ATOM 0 HB3 ASN A 43 1.325 -5.640 -10.871 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -2.346 -3.961 -10.175 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -0.999 -3.780 -9.047 1.00 0.88 H new ATOM 264 N ALA A 44 2.403 -8.318 -8.676 1.00 1.13 N ATOM 265 CA ALA A 44 3.752 -8.832 -8.504 1.00 1.36 C ATOM 266 C ALA A 44 4.291 -9.309 -9.841 1.00 1.78 C ATOM 267 O ALA A 44 5.377 -8.917 -10.267 1.00 2.50 O ATOM 268 CB ALA A 44 3.768 -9.966 -7.491 1.00 2.05 C ATOM 0 H ALA A 44 1.681 -9.037 -8.710 1.00 1.13 H new ATOM 0 HA ALA A 44 4.389 -8.032 -8.127 1.00 1.36 H new ATOM 0 HB1 ALA A 44 4.786 -10.337 -7.376 1.00 2.05 H new ATOM 0 HB2 ALA A 44 3.405 -9.601 -6.530 1.00 2.05 H new ATOM 0 HB3 ALA A 44 3.124 -10.774 -7.839 1.00 2.05 H new ATOM 274 N ALA A 45 3.518 -10.169 -10.483 1.00 2.22 N ATOM 275 CA ALA A 45 3.826 -10.660 -11.814 1.00 3.09 C ATOM 276 C ALA A 45 2.531 -11.023 -12.524 1.00 3.52 C ATOM 277 O ALA A 45 1.836 -11.945 -12.107 1.00 3.90 O ATOM 278 CB ALA A 45 4.750 -11.867 -11.739 1.00 4.00 C ATOM 0 H ALA A 45 2.655 -10.548 -10.093 1.00 2.22 H new ATOM 0 HA ALA A 45 4.340 -9.880 -12.376 1.00 3.09 H new ATOM 0 HB1 ALA A 45 4.969 -12.221 -12.746 1.00 4.00 H new ATOM 0 HB2 ALA A 45 5.679 -11.584 -11.244 1.00 4.00 H new ATOM 0 HB3 ALA A 45 4.265 -12.662 -11.173 1.00 4.00 H new ATOM 284 N GLU A 46 2.191 -10.276 -13.562 1.00 4.02 N ATOM 285 CA GLU A 46 0.971 -10.531 -14.318 1.00 4.87 C ATOM 286 C GLU A 46 1.013 -11.922 -14.950 1.00 5.45 C ATOM 287 O GLU A 46 1.951 -12.260 -15.680 1.00 5.90 O ATOM 288 CB GLU A 46 0.759 -9.465 -15.402 1.00 5.61 C ATOM 289 CG GLU A 46 0.798 -8.032 -14.888 1.00 5.96 C ATOM 290 CD GLU A 46 2.190 -7.431 -14.934 1.00 6.73 C ATOM 291 OE1 GLU A 46 2.460 -6.585 -15.814 1.00 7.09 O ATOM 292 OE2 GLU A 46 3.024 -7.800 -14.083 1.00 7.21 O ATOM 0 H GLU A 46 2.741 -9.487 -13.902 1.00 4.02 H new ATOM 0 HA GLU A 46 0.132 -10.484 -13.624 1.00 4.87 H new ATOM 0 HB2 GLU A 46 1.525 -9.585 -16.168 1.00 5.61 H new ATOM 0 HB3 GLU A 46 -0.203 -9.640 -15.884 1.00 5.61 H new ATOM 0 HG2 GLU A 46 0.122 -7.418 -15.483 1.00 5.96 H new ATOM 0 HG3 GLU A 46 0.430 -8.008 -13.862 1.00 5.96 H new ATOM 299 N GLY A 47 0.009 -12.733 -14.645 1.00 5.76 N ATOM 300 CA GLY A 47 -0.054 -14.074 -15.191 1.00 6.54 C ATOM 301 C GLY A 47 0.585 -15.091 -14.271 1.00 6.69 C ATOM 302 O GLY A 47 0.950 -16.189 -14.697 1.00 6.97 O ATOM 0 H GLY A 47 -0.764 -12.485 -14.028 1.00 5.76 H new ATOM 0 HA2 GLY A 47 -1.095 -14.346 -15.365 1.00 6.54 H new ATOM 0 HA3 GLY A 47 0.447 -14.095 -16.159 1.00 6.54 H new ATOM 306 N ASP A 48 0.734 -14.720 -13.009 1.00 6.81 N ATOM 307 CA ASP A 48 1.318 -15.607 -12.016 1.00 7.22 C ATOM 308 C ASP A 48 0.214 -16.396 -11.333 1.00 7.49 C ATOM 309 O ASP A 48 -0.665 -15.821 -10.690 1.00 7.74 O ATOM 310 CB ASP A 48 2.112 -14.800 -10.990 1.00 7.72 C ATOM 311 CG ASP A 48 3.203 -15.610 -10.333 1.00 8.18 C ATOM 312 OD1 ASP A 48 3.112 -15.846 -9.109 1.00 8.38 O ATOM 313 OD2 ASP A 48 4.135 -16.045 -11.036 1.00 8.59 O ATOM 0 H ASP A 48 0.457 -13.807 -12.648 1.00 6.81 H new ATOM 0 HA ASP A 48 2.000 -16.301 -12.507 1.00 7.22 H new ATOM 0 HB2 ASP A 48 2.554 -13.932 -11.479 1.00 7.72 H new ATOM 0 HB3 ASP A 48 1.433 -14.424 -10.225 1.00 7.72 H new ATOM 318 N ILE A 49 0.253 -17.711 -11.474 1.00 7.75 N ATOM 319 CA ILE A 49 -0.841 -18.553 -11.019 1.00 8.31 C ATOM 320 C ILE A 49 -0.450 -19.409 -9.819 1.00 8.64 C ATOM 321 O ILE A 49 -0.825 -20.580 -9.722 1.00 9.15 O ATOM 322 CB ILE A 49 -1.304 -19.332 -11.989 1.00 8.70 C ATOM 323 CG1 ILE A 49 -0.174 -20.109 -12.679 1.00 8.59 C ATOM 324 CG2 ILE A 49 -2.089 -18.501 -12.999 1.00 9.24 C ATOM 325 CD1 ILE A 49 -0.657 -21.087 -13.727 1.00 9.12 C ATOM 0 H ILE A 49 1.029 -18.218 -11.899 1.00 7.75 H new ATOM 0 HA ILE A 49 -1.633 -17.871 -10.711 1.00 8.31 H new ATOM 0 HB ILE A 49 -1.974 -20.067 -11.542 1.00 8.70 H new ATOM 0 HG12 ILE A 49 0.510 -19.400 -13.145 1.00 8.59 H new ATOM 0 HG13 ILE A 49 0.395 -20.651 -11.924 1.00 8.59 H new ATOM 0 HG21 ILE A 49 -2.464 -19.150 -13.790 1.00 9.24 H new ATOM 0 HG22 ILE A 49 -2.927 -18.017 -12.498 1.00 9.24 H new ATOM 0 HG23 ILE A 49 -1.437 -17.742 -13.431 1.00 9.24 H new ATOM 0 HD11 ILE A 49 0.198 -21.598 -14.170 1.00 9.12 H new ATOM 0 HD12 ILE A 49 -1.317 -21.820 -13.264 1.00 9.12 H new ATOM 0 HD13 ILE A 49 -1.200 -20.549 -14.504 1.00 9.12 H new ATOM 337 N THR A 50 0.315 -18.830 -8.910 1.00 8.56 N ATOM 338 CA THR A 50 0.642 -19.506 -7.671 1.00 9.03 C ATOM 339 C THR A 50 -0.324 -19.046 -6.573 1.00 9.23 C ATOM 340 O THR A 50 -0.993 -18.018 -6.720 1.00 9.50 O ATOM 341 CB THR A 50 1.909 -19.302 -7.310 1.00 9.31 C ATOM 342 OG1 THR A 50 2.270 -20.184 -6.235 1.00 9.41 O ATOM 343 CG2 THR A 50 2.165 -17.863 -6.886 1.00 9.82 C ATOM 0 H THR A 50 0.719 -17.898 -9.007 1.00 8.56 H new ATOM 0 HA THR A 50 0.532 -20.579 -7.825 1.00 9.03 H new ATOM 0 HB THR A 50 2.524 -19.509 -8.186 1.00 9.31 H new ATOM 0 HG1 THR A 50 3.203 -20.025 -5.981 1.00 9.41 H new ATOM 0 HG21 THR A 50 3.211 -17.748 -6.601 1.00 9.82 H new ATOM 0 HG22 THR A 50 1.939 -17.193 -7.716 1.00 9.82 H new ATOM 0 HG23 THR A 50 1.529 -17.615 -6.036 1.00 9.82 H new ATOM 351 N GLY A 51 -0.440 -19.821 -5.506 1.00 9.30 N ATOM 352 CA GLY A 51 -1.374 -19.493 -4.454 1.00 9.62 C ATOM 353 C GLY A 51 -0.702 -18.873 -3.249 1.00 9.32 C ATOM 354 O GLY A 51 -0.110 -19.578 -2.430 1.00 9.37 O ATOM 0 H GLY A 51 0.098 -20.673 -5.351 1.00 9.30 H new ATOM 0 HA2 GLY A 51 -2.124 -18.803 -4.842 1.00 9.62 H new ATOM 0 HA3 GLY A 51 -1.900 -20.397 -4.146 1.00 9.62 H new ATOM 358 N ARG A 52 -0.769 -17.555 -3.148 1.00 9.21 N ATOM 359 CA ARG A 52 -0.290 -16.862 -1.963 1.00 9.00 C ATOM 360 C ARG A 52 -1.439 -16.755 -0.969 1.00 8.48 C ATOM 361 O ARG A 52 -2.434 -16.081 -1.240 1.00 8.73 O ATOM 362 CB ARG A 52 0.248 -15.471 -2.319 1.00 9.54 C ATOM 363 CG ARG A 52 1.370 -15.490 -3.349 1.00 10.23 C ATOM 364 CD ARG A 52 1.979 -14.111 -3.532 1.00 10.92 C ATOM 365 NE ARG A 52 2.986 -14.079 -4.596 1.00 11.43 N ATOM 366 CZ ARG A 52 4.276 -13.802 -4.394 1.00 12.12 C ATOM 367 NH1 ARG A 52 4.743 -13.635 -3.163 1.00 12.40 N ATOM 368 NH2 ARG A 52 5.107 -13.714 -5.425 1.00 12.72 N ATOM 0 H ARG A 52 -1.150 -16.945 -3.871 1.00 9.21 H new ATOM 0 HA ARG A 52 0.532 -17.424 -1.520 1.00 9.00 H new ATOM 0 HB2 ARG A 52 -0.572 -14.861 -2.700 1.00 9.54 H new ATOM 0 HB3 ARG A 52 0.609 -14.988 -1.411 1.00 9.54 H new ATOM 0 HG2 ARG A 52 2.143 -16.192 -3.034 1.00 10.23 H new ATOM 0 HG3 ARG A 52 0.984 -15.848 -4.303 1.00 10.23 H new ATOM 0 HD2 ARG A 52 1.189 -13.396 -3.762 1.00 10.92 H new ATOM 0 HD3 ARG A 52 2.435 -13.791 -2.595 1.00 10.92 H new ATOM 0 HE ARG A 52 2.683 -14.281 -5.549 1.00 11.43 H new ATOM 0 HH11 ARG A 52 4.115 -13.718 -2.364 1.00 12.40 H new ATOM 0 HH12 ARG A 52 5.730 -13.424 -3.016 1.00 12.40 H new ATOM 0 HH21 ARG A 52 4.760 -13.858 -6.373 1.00 12.72 H new ATOM 0 HH22 ARG A 52 6.093 -13.502 -5.269 1.00 12.72 H new ATOM 382 N ASP A 53 -1.311 -17.432 0.165 1.00 7.97 N ATOM 383 CA ASP A 53 -2.424 -17.564 1.099 1.00 7.57 C ATOM 384 C ASP A 53 -2.806 -16.220 1.715 1.00 7.11 C ATOM 385 O ASP A 53 -1.952 -15.447 2.161 1.00 6.96 O ATOM 386 CB ASP A 53 -2.111 -18.601 2.188 1.00 7.63 C ATOM 387 CG ASP A 53 -1.193 -18.087 3.279 1.00 7.90 C ATOM 388 OD1 ASP A 53 0.038 -18.127 3.080 1.00 8.01 O ATOM 389 OD2 ASP A 53 -1.693 -17.600 4.316 1.00 8.24 O ATOM 0 H ASP A 53 -0.452 -17.897 0.460 1.00 7.97 H new ATOM 0 HA ASP A 53 -3.285 -17.919 0.532 1.00 7.57 H new ATOM 0 HB2 ASP A 53 -3.046 -18.933 2.640 1.00 7.63 H new ATOM 0 HB3 ASP A 53 -1.654 -19.475 1.724 1.00 7.63 H new ATOM 394 N PRO A 54 -4.114 -15.926 1.716 1.00 7.19 N ATOM 395 CA PRO A 54 -4.667 -14.662 2.207 1.00 7.04 C ATOM 396 C PRO A 54 -4.740 -14.570 3.731 1.00 6.40 C ATOM 397 O PRO A 54 -5.462 -13.732 4.271 1.00 6.42 O ATOM 398 CB PRO A 54 -6.092 -14.630 1.619 1.00 7.72 C ATOM 399 CG PRO A 54 -6.192 -15.812 0.711 1.00 8.11 C ATOM 400 CD PRO A 54 -5.168 -16.797 1.190 1.00 7.77 C ATOM 0 HA PRO A 54 -4.033 -13.827 1.908 1.00 7.04 H new ATOM 0 HB2 PRO A 54 -6.841 -14.681 2.409 1.00 7.72 H new ATOM 0 HB3 PRO A 54 -6.268 -13.703 1.073 1.00 7.72 H new ATOM 0 HG2 PRO A 54 -7.192 -16.244 0.743 1.00 8.11 H new ATOM 0 HG3 PRO A 54 -6.002 -15.525 -0.323 1.00 8.11 H new ATOM 0 HD2 PRO A 54 -5.569 -17.458 1.958 1.00 7.77 H new ATOM 0 HD3 PRO A 54 -4.805 -17.431 0.381 1.00 7.77 H new ATOM 408 N LYS A 55 -3.982 -15.406 4.428 1.00 6.12 N ATOM 409 CA LYS A 55 -3.997 -15.388 5.889 1.00 5.80 C ATOM 410 C LYS A 55 -2.911 -14.464 6.412 1.00 5.33 C ATOM 411 O LYS A 55 -2.467 -14.573 7.555 1.00 5.67 O ATOM 412 CB LYS A 55 -3.820 -16.802 6.456 1.00 6.46 C ATOM 413 CG LYS A 55 -4.811 -17.814 5.900 1.00 7.19 C ATOM 414 CD LYS A 55 -4.760 -19.139 6.648 1.00 8.01 C ATOM 415 CE LYS A 55 -3.379 -19.783 6.596 1.00 8.64 C ATOM 416 NZ LYS A 55 -2.925 -20.035 5.201 1.00 9.24 N ATOM 0 H LYS A 55 -3.356 -16.097 4.015 1.00 6.12 H new ATOM 0 HA LYS A 55 -4.966 -15.012 6.218 1.00 5.80 H new ATOM 0 HB2 LYS A 55 -2.807 -17.145 6.244 1.00 6.46 H new ATOM 0 HB3 LYS A 55 -3.923 -16.764 7.540 1.00 6.46 H new ATOM 0 HG2 LYS A 55 -5.819 -17.404 5.960 1.00 7.19 H new ATOM 0 HG3 LYS A 55 -4.599 -17.986 4.845 1.00 7.19 H new ATOM 0 HD2 LYS A 55 -5.043 -18.977 7.688 1.00 8.01 H new ATOM 0 HD3 LYS A 55 -5.493 -19.823 6.220 1.00 8.01 H new ATOM 0 HE2 LYS A 55 -2.660 -19.136 7.098 1.00 8.64 H new ATOM 0 HE3 LYS A 55 -3.399 -20.724 7.145 1.00 8.64 H new ATOM 0 HZ1 LYS A 55 -2.086 -20.650 5.215 1.00 9.24 H new ATOM 0 HZ2 LYS A 55 -3.687 -20.500 4.667 1.00 9.24 H new ATOM 0 HZ3 LYS A 55 -2.685 -19.131 4.746 1.00 9.24 H new ATOM 430 N GLN A 56 -2.516 -13.532 5.570 1.00 4.97 N ATOM 431 CA GLN A 56 -1.455 -12.593 5.897 1.00 4.93 C ATOM 432 C GLN A 56 -1.928 -11.161 5.678 1.00 4.31 C ATOM 433 O GLN A 56 -2.440 -10.514 6.592 1.00 4.54 O ATOM 434 CB GLN A 56 -0.223 -12.862 5.029 1.00 5.58 C ATOM 435 CG GLN A 56 0.330 -14.270 5.150 1.00 6.20 C ATOM 436 CD GLN A 56 1.348 -14.580 4.072 1.00 6.94 C ATOM 437 OE1 GLN A 56 2.546 -14.342 4.239 1.00 7.39 O ATOM 438 NE2 GLN A 56 0.881 -15.103 2.948 1.00 7.40 N ATOM 0 H GLN A 56 -2.918 -13.401 4.642 1.00 4.97 H new ATOM 0 HA GLN A 56 -1.191 -12.726 6.946 1.00 4.93 H new ATOM 0 HB2 GLN A 56 -0.479 -12.673 3.987 1.00 5.58 H new ATOM 0 HB3 GLN A 56 0.559 -12.152 5.299 1.00 5.58 H new ATOM 0 HG2 GLN A 56 0.792 -14.394 6.130 1.00 6.20 H new ATOM 0 HG3 GLN A 56 -0.489 -14.987 5.090 1.00 6.20 H new ATOM 0 HE21 GLN A 56 -0.117 -15.286 2.847 1.00 7.40 H new ATOM 0 HE22 GLN A 56 1.520 -15.323 2.184 1.00 7.40 H new ATOM 447 N VAL A 57 -1.772 -10.692 4.445 1.00 3.91 N ATOM 448 CA VAL A 57 -2.148 -9.334 4.068 1.00 3.65 C ATOM 449 C VAL A 57 -2.877 -9.324 2.722 1.00 2.70 C ATOM 450 O VAL A 57 -3.924 -8.700 2.577 1.00 3.03 O ATOM 451 CB VAL A 57 -1.095 -8.512 4.017 1.00 4.38 C ATOM 452 CG1 VAL A 57 -0.710 -8.052 5.419 1.00 5.06 C ATOM 453 CG2 VAL A 57 0.110 -9.145 3.326 1.00 4.94 C ATOM 0 H VAL A 57 -1.382 -11.242 3.679 1.00 3.91 H new ATOM 0 HA VAL A 57 -2.819 -8.969 4.845 1.00 3.65 H new ATOM 0 HB VAL A 57 -1.396 -7.651 3.420 1.00 4.38 H new ATOM 0 HG11 VAL A 57 0.149 -7.384 5.360 1.00 5.06 H new ATOM 0 HG12 VAL A 57 -1.549 -7.525 5.872 1.00 5.06 H new ATOM 0 HG13 VAL A 57 -0.454 -8.918 6.029 1.00 5.06 H new ATOM 0 HG21 VAL A 57 0.936 -8.434 3.312 1.00 4.94 H new ATOM 0 HG22 VAL A 57 0.411 -10.041 3.868 1.00 4.94 H new ATOM 0 HG23 VAL A 57 -0.156 -9.412 2.303 1.00 4.94 H new ATOM 463 N ILE A 58 -2.350 -10.070 1.756 1.00 2.02 N ATOM 464 CA ILE A 58 -2.958 -10.158 0.440 1.00 1.38 C ATOM 465 C ILE A 58 -4.203 -11.044 0.498 1.00 1.46 C ATOM 466 O ILE A 58 -4.325 -11.890 1.382 1.00 1.83 O ATOM 467 CB ILE A 58 -2.080 -10.613 -0.462 1.00 1.94 C ATOM 468 CG1 ILE A 58 -2.629 -10.516 -1.889 1.00 2.47 C ATOM 469 CG2 ILE A 58 -1.652 -12.047 -0.142 1.00 2.66 C ATOM 470 CD1 ILE A 58 -1.667 -11.015 -2.948 1.00 3.17 C ATOM 0 H ILE A 58 -1.500 -10.623 1.864 1.00 2.02 H new ATOM 0 HA ILE A 58 -3.261 -9.159 0.126 1.00 1.38 H new ATOM 0 HB ILE A 58 -1.199 -9.973 -0.404 1.00 1.94 H new ATOM 0 HG12 ILE A 58 -3.554 -11.089 -1.952 1.00 2.47 H new ATOM 0 HG13 ILE A 58 -2.882 -9.477 -2.101 1.00 2.47 H new ATOM 0 HG21 ILE A 58 -0.939 -12.390 -0.892 1.00 2.66 H new ATOM 0 HG22 ILE A 58 -1.186 -12.076 0.843 1.00 2.66 H new ATOM 0 HG23 ILE A 58 -2.526 -12.698 -0.149 1.00 2.66 H new ATOM 0 HD11 ILE A 58 -2.125 -10.915 -3.932 1.00 3.17 H new ATOM 0 HD12 ILE A 58 -0.750 -10.426 -2.913 1.00 3.17 H new ATOM 0 HD13 ILE A 58 -1.433 -12.063 -2.762 1.00 3.17 H new ATOM 482 N GLY A 59 -5.160 -10.781 -0.380 1.00 1.92 N ATOM 483 CA GLY A 59 -6.385 -11.560 -0.404 1.00 2.81 C ATOM 484 C GLY A 59 -7.360 -11.120 0.669 1.00 2.70 C ATOM 485 O GLY A 59 -8.382 -11.768 0.902 1.00 3.24 O ATOM 0 H GLY A 59 -5.111 -10.040 -1.079 1.00 1.92 H new ATOM 0 HA2 GLY A 59 -6.856 -11.465 -1.382 1.00 2.81 H new ATOM 0 HA3 GLY A 59 -6.146 -12.615 -0.266 1.00 2.81 H new ATOM 489 N LYS A 60 -7.034 -10.016 1.320 1.00 2.08 N ATOM 490 CA LYS A 60 -7.860 -9.458 2.379 1.00 2.08 C ATOM 491 C LYS A 60 -9.018 -8.683 1.773 1.00 2.02 C ATOM 492 O LYS A 60 -8.811 -7.621 1.214 1.00 1.74 O ATOM 493 CB LYS A 60 -6.991 -8.540 3.255 1.00 1.96 C ATOM 494 CG LYS A 60 -7.740 -7.698 4.281 1.00 2.22 C ATOM 495 CD LYS A 60 -8.516 -8.546 5.271 1.00 2.80 C ATOM 496 CE LYS A 60 -8.830 -7.769 6.546 1.00 3.43 C ATOM 497 NZ LYS A 60 -9.462 -6.446 6.271 1.00 3.85 N ATOM 0 H LYS A 60 -6.188 -9.480 1.129 1.00 2.08 H new ATOM 0 HA LYS A 60 -8.270 -10.258 2.995 1.00 2.08 H new ATOM 0 HB2 LYS A 60 -6.262 -9.156 3.781 1.00 1.96 H new ATOM 0 HB3 LYS A 60 -6.431 -7.870 2.602 1.00 1.96 H new ATOM 0 HG2 LYS A 60 -7.030 -7.072 4.821 1.00 2.22 H new ATOM 0 HG3 LYS A 60 -8.427 -7.027 3.765 1.00 2.22 H new ATOM 0 HD2 LYS A 60 -9.445 -8.885 4.812 1.00 2.80 H new ATOM 0 HD3 LYS A 60 -7.939 -9.437 5.519 1.00 2.80 H new ATOM 0 HE2 LYS A 60 -9.495 -8.362 7.174 1.00 3.43 H new ATOM 0 HE3 LYS A 60 -7.910 -7.618 7.111 1.00 3.43 H new ATOM 0 HZ1 LYS A 60 -9.868 -6.066 7.150 1.00 3.85 H new ATOM 0 HZ2 LYS A 60 -8.744 -5.787 5.908 1.00 3.85 H new ATOM 0 HZ3 LYS A 60 -10.215 -6.562 5.564 1.00 3.85 H new ATOM 511 N ASN A 61 -10.226 -9.229 1.852 1.00 2.50 N ATOM 512 CA ASN A 61 -11.418 -8.534 1.363 1.00 2.76 C ATOM 513 C ASN A 61 -12.610 -8.818 2.268 1.00 3.11 C ATOM 514 O ASN A 61 -13.269 -9.850 2.139 1.00 3.53 O ATOM 515 CB ASN A 61 -11.754 -8.943 -0.078 1.00 3.24 C ATOM 516 CG ASN A 61 -10.918 -8.228 -1.130 1.00 3.68 C ATOM 517 OD1 ASN A 61 -10.564 -8.814 -2.151 1.00 4.05 O ATOM 518 ND2 ASN A 61 -10.627 -6.954 -0.914 1.00 4.18 N ATOM 0 H ASN A 61 -10.409 -10.150 2.249 1.00 2.50 H new ATOM 0 HA ASN A 61 -11.202 -7.466 1.375 1.00 2.76 H new ATOM 0 HB2 ASN A 61 -11.611 -10.018 -0.183 1.00 3.24 H new ATOM 0 HB3 ASN A 61 -12.808 -8.741 -0.267 1.00 3.24 H new ATOM 0 HD21 ASN A 61 -10.093 -6.428 -1.606 1.00 4.18 H new ATOM 0 HD22 ASN A 61 -10.937 -6.499 -0.055 1.00 4.18 H new ATOM 525 N PHE A 62 -12.862 -7.909 3.196 1.00 3.09 N ATOM 526 CA PHE A 62 -13.988 -8.027 4.109 1.00 3.55 C ATOM 527 C PHE A 62 -14.429 -6.628 4.527 1.00 4.05 C ATOM 528 O PHE A 62 -13.781 -5.991 5.355 1.00 4.38 O ATOM 529 CB PHE A 62 -13.593 -8.861 5.333 1.00 4.05 C ATOM 530 CG PHE A 62 -14.760 -9.356 6.138 1.00 4.80 C ATOM 531 CD1 PHE A 62 -15.036 -8.824 7.387 1.00 5.37 C ATOM 532 CD2 PHE A 62 -15.579 -10.358 5.646 1.00 5.28 C ATOM 533 CE1 PHE A 62 -16.109 -9.283 8.130 1.00 6.27 C ATOM 534 CE2 PHE A 62 -16.652 -10.821 6.383 1.00 6.21 C ATOM 535 CZ PHE A 62 -16.918 -10.283 7.626 1.00 6.66 C ATOM 0 H PHE A 62 -12.295 -7.073 3.338 1.00 3.09 H new ATOM 0 HA PHE A 62 -14.816 -8.533 3.613 1.00 3.55 H new ATOM 0 HB2 PHE A 62 -13.004 -9.717 5.002 1.00 4.05 H new ATOM 0 HB3 PHE A 62 -12.950 -8.261 5.976 1.00 4.05 H new ATOM 0 HD1 PHE A 62 -14.406 -8.042 7.785 1.00 5.37 H new ATOM 0 HD2 PHE A 62 -15.377 -10.783 4.674 1.00 5.28 H new ATOM 0 HE1 PHE A 62 -16.314 -8.860 9.102 1.00 6.27 H new ATOM 0 HE2 PHE A 62 -17.282 -11.603 5.987 1.00 6.21 H new ATOM 0 HZ PHE A 62 -17.757 -10.643 8.203 1.00 6.66 H new ATOM 545 N PHE A 63 -15.518 -6.158 3.933 1.00 4.57 N ATOM 546 CA PHE A 63 -15.943 -4.765 4.076 1.00 5.42 C ATOM 547 C PHE A 63 -16.905 -4.573 5.247 1.00 5.92 C ATOM 548 O PHE A 63 -17.571 -3.540 5.353 1.00 6.42 O ATOM 549 CB PHE A 63 -16.609 -4.293 2.780 1.00 6.08 C ATOM 550 CG PHE A 63 -15.699 -4.309 1.583 1.00 6.58 C ATOM 551 CD1 PHE A 63 -15.002 -3.170 1.204 1.00 7.21 C ATOM 552 CD2 PHE A 63 -15.537 -5.465 0.840 1.00 6.73 C ATOM 553 CE1 PHE A 63 -14.164 -3.187 0.105 1.00 7.98 C ATOM 554 CE2 PHE A 63 -14.700 -5.488 -0.259 1.00 7.51 C ATOM 555 CZ PHE A 63 -14.021 -4.331 -0.633 1.00 8.13 C ATOM 0 H PHE A 63 -16.129 -6.723 3.343 1.00 4.57 H new ATOM 0 HA PHE A 63 -15.053 -4.169 4.280 1.00 5.42 H new ATOM 0 HB2 PHE A 63 -17.472 -4.927 2.576 1.00 6.08 H new ATOM 0 HB3 PHE A 63 -16.984 -3.280 2.925 1.00 6.08 H new ATOM 0 HD1 PHE A 63 -15.116 -2.260 1.774 1.00 7.21 H new ATOM 0 HD2 PHE A 63 -16.071 -6.360 1.123 1.00 6.73 H new ATOM 0 HE1 PHE A 63 -13.621 -2.296 -0.172 1.00 7.98 H new ATOM 0 HE2 PHE A 63 -14.573 -6.399 -0.825 1.00 7.51 H new ATOM 0 HZ PHE A 63 -13.383 -4.336 -1.504 1.00 8.13 H new ATOM 565 N LYS A 64 -16.974 -5.558 6.127 1.00 6.06 N ATOM 566 CA LYS A 64 -17.844 -5.478 7.294 1.00 6.71 C ATOM 567 C LYS A 64 -17.031 -5.635 8.566 1.00 6.68 C ATOM 568 O LYS A 64 -15.911 -6.144 8.521 1.00 6.92 O ATOM 569 CB LYS A 64 -18.932 -6.557 7.242 1.00 7.46 C ATOM 570 CG LYS A 64 -19.958 -6.348 6.139 1.00 8.15 C ATOM 571 CD LYS A 64 -20.712 -5.036 6.303 1.00 8.91 C ATOM 572 CE LYS A 64 -21.383 -4.940 7.663 1.00 9.51 C ATOM 573 NZ LYS A 64 -22.136 -3.669 7.819 1.00 10.05 N ATOM 0 H LYS A 64 -16.439 -6.424 6.058 1.00 6.06 H new ATOM 0 HA LYS A 64 -18.324 -4.499 7.290 1.00 6.71 H new ATOM 0 HB2 LYS A 64 -18.459 -7.529 7.105 1.00 7.46 H new ATOM 0 HB3 LYS A 64 -19.447 -6.586 8.202 1.00 7.46 H new ATOM 0 HG2 LYS A 64 -19.457 -6.360 5.171 1.00 8.15 H new ATOM 0 HG3 LYS A 64 -20.667 -7.176 6.141 1.00 8.15 H new ATOM 0 HD2 LYS A 64 -20.022 -4.202 6.178 1.00 8.91 H new ATOM 0 HD3 LYS A 64 -21.464 -4.948 5.519 1.00 8.91 H new ATOM 0 HE2 LYS A 64 -22.062 -5.783 7.794 1.00 9.51 H new ATOM 0 HE3 LYS A 64 -20.629 -5.014 8.446 1.00 9.51 H new ATOM 0 HZ1 LYS A 64 -22.579 -3.641 8.759 1.00 10.05 H new ATOM 0 HZ2 LYS A 64 -21.484 -2.865 7.720 1.00 10.05 H new ATOM 0 HZ3 LYS A 64 -22.873 -3.610 7.087 1.00 10.05 H new ATOM 587 N ASP A 65 -17.589 -5.161 9.686 1.00 6.69 N ATOM 588 CA ASP A 65 -16.997 -5.350 11.018 1.00 6.98 C ATOM 589 C ASP A 65 -15.787 -4.438 11.225 1.00 7.54 C ATOM 590 O ASP A 65 -15.741 -3.671 12.185 1.00 7.94 O ATOM 591 CB ASP A 65 -16.618 -6.822 11.236 1.00 7.04 C ATOM 592 CG ASP A 65 -16.016 -7.091 12.597 1.00 7.56 C ATOM 593 OD1 ASP A 65 -14.816 -7.432 12.667 1.00 7.91 O ATOM 594 OD2 ASP A 65 -16.728 -6.914 13.605 1.00 7.87 O ATOM 0 H ASP A 65 -18.463 -4.636 9.696 1.00 6.69 H new ATOM 0 HA ASP A 65 -17.746 -5.074 11.760 1.00 6.98 H new ATOM 0 HB2 ASP A 65 -17.507 -7.441 11.111 1.00 7.04 H new ATOM 0 HB3 ASP A 65 -15.908 -7.125 10.466 1.00 7.04 H new ATOM 599 N VAL A 66 -14.828 -4.520 10.304 1.00 7.81 N ATOM 600 CA VAL A 66 -13.619 -3.697 10.322 1.00 8.51 C ATOM 601 C VAL A 66 -12.900 -3.800 11.677 1.00 8.76 C ATOM 602 O VAL A 66 -12.586 -2.801 12.330 1.00 9.29 O ATOM 603 CB VAL A 66 -13.878 -2.421 10.023 1.00 8.83 C ATOM 604 CG1 VAL A 66 -12.591 -1.665 9.700 1.00 9.35 C ATOM 605 CG2 VAL A 66 -14.852 -2.310 8.857 1.00 8.99 C ATOM 0 H VAL A 66 -14.869 -5.166 9.516 1.00 7.81 H new ATOM 0 HA VAL A 66 -12.957 -4.087 9.549 1.00 8.51 H new ATOM 0 HB VAL A 66 -14.341 -1.970 10.901 1.00 8.83 H new ATOM 0 HG11 VAL A 66 -12.828 -0.629 9.460 1.00 9.35 H new ATOM 0 HG12 VAL A 66 -11.925 -1.694 10.563 1.00 9.35 H new ATOM 0 HG13 VAL A 66 -12.099 -2.132 8.846 1.00 9.35 H new ATOM 0 HG21 VAL A 66 -15.041 -1.259 8.640 1.00 8.99 H new ATOM 0 HG22 VAL A 66 -14.423 -2.791 7.978 1.00 8.99 H new ATOM 0 HG23 VAL A 66 -15.790 -2.801 9.118 1.00 8.99 H new ATOM 615 N ALA A 67 -12.690 -5.032 12.117 1.00 8.55 N ATOM 616 CA ALA A 67 -11.852 -5.292 13.280 1.00 8.92 C ATOM 617 C ALA A 67 -10.500 -5.866 12.841 1.00 9.09 C ATOM 618 O ALA A 67 -9.458 -5.380 13.278 1.00 9.14 O ATOM 619 CB ALA A 67 -12.551 -6.212 14.274 1.00 9.16 C ATOM 0 H ALA A 67 -13.088 -5.867 11.687 1.00 8.55 H new ATOM 0 HA ALA A 67 -11.672 -4.346 13.791 1.00 8.92 H new ATOM 0 HB1 ALA A 67 -11.899 -6.386 15.130 1.00 9.16 H new ATOM 0 HB2 ALA A 67 -13.477 -5.746 14.612 1.00 9.16 H new ATOM 0 HB3 ALA A 67 -12.778 -7.163 13.792 1.00 9.16 H new ATOM 625 N PRO A 68 -10.478 -6.906 11.976 1.00 9.42 N ATOM 626 CA PRO A 68 -9.230 -7.379 11.370 1.00 9.81 C ATOM 627 C PRO A 68 -8.641 -6.333 10.425 1.00 10.00 C ATOM 628 O PRO A 68 -9.109 -6.158 9.294 1.00 10.26 O ATOM 629 CB PRO A 68 -9.647 -8.634 10.597 1.00 10.35 C ATOM 630 CG PRO A 68 -11.103 -8.455 10.346 1.00 10.29 C ATOM 631 CD PRO A 68 -11.633 -7.719 11.542 1.00 9.70 C ATOM 0 HA PRO A 68 -8.457 -7.576 12.113 1.00 9.81 H new ATOM 0 HB2 PRO A 68 -9.092 -8.727 9.663 1.00 10.35 H new ATOM 0 HB3 PRO A 68 -9.453 -9.538 11.174 1.00 10.35 H new ATOM 0 HG2 PRO A 68 -11.276 -7.890 9.430 1.00 10.29 H new ATOM 0 HG3 PRO A 68 -11.601 -9.417 10.226 1.00 10.29 H new ATOM 0 HD2 PRO A 68 -12.490 -7.096 11.285 1.00 9.70 H new ATOM 0 HD3 PRO A 68 -11.960 -8.404 12.324 1.00 9.70 H new ATOM 639 N CYS A 69 -7.629 -5.632 10.902 1.00 10.09 N ATOM 640 CA CYS A 69 -7.021 -4.549 10.149 1.00 10.43 C ATOM 641 C CYS A 69 -5.502 -4.645 10.192 1.00 10.35 C ATOM 642 O CYS A 69 -4.891 -4.588 11.259 1.00 10.58 O ATOM 643 CB CYS A 69 -7.483 -3.194 10.698 1.00 10.98 C ATOM 644 SG CYS A 69 -7.198 -2.977 12.485 1.00 11.49 S ATOM 0 H CYS A 69 -7.207 -5.795 11.816 1.00 10.09 H new ATOM 0 HA CYS A 69 -7.340 -4.635 9.110 1.00 10.43 H new ATOM 0 HB2 CYS A 69 -6.965 -2.400 10.160 1.00 10.98 H new ATOM 0 HB3 CYS A 69 -8.547 -3.075 10.494 1.00 10.98 H new ATOM 649 N THR A 70 -4.900 -4.789 9.025 1.00 10.23 N ATOM 650 CA THR A 70 -3.456 -4.867 8.908 1.00 10.31 C ATOM 651 C THR A 70 -2.845 -3.473 8.838 1.00 10.28 C ATOM 652 O THR A 70 -2.089 -3.148 7.918 1.00 10.36 O ATOM 653 CB THR A 70 -3.116 -5.557 7.840 1.00 10.47 C ATOM 654 OG1 THR A 70 -4.004 -5.238 6.754 1.00 10.95 O ATOM 655 CG2 THR A 70 -3.152 -7.050 8.117 1.00 10.51 C ATOM 0 H THR A 70 -5.396 -4.855 8.136 1.00 10.23 H new ATOM 0 HA THR A 70 -3.073 -5.374 9.794 1.00 10.31 H new ATOM 0 HB THR A 70 -2.095 -5.288 7.569 1.00 10.47 H new ATOM 0 HG1 THR A 70 -3.747 -5.752 5.960 1.00 10.95 H new ATOM 0 HG21 THR A 70 -2.867 -7.594 7.217 1.00 10.51 H new ATOM 0 HG22 THR A 70 -2.455 -7.288 8.921 1.00 10.51 H new ATOM 0 HG23 THR A 70 -4.160 -7.341 8.413 1.00 10.51 H new ATOM 663 N ASP A 71 -3.197 -2.646 9.810 1.00 10.38 N ATOM 664 CA ASP A 71 -2.747 -1.263 9.843 1.00 10.55 C ATOM 665 C ASP A 71 -1.316 -1.180 10.346 1.00 10.46 C ATOM 666 O ASP A 71 -1.058 -1.226 11.551 1.00 10.82 O ATOM 667 CB ASP A 71 -3.670 -0.417 10.726 1.00 11.00 C ATOM 668 CG ASP A 71 -3.198 1.017 10.857 1.00 11.33 C ATOM 669 OD1 ASP A 71 -2.851 1.434 11.983 1.00 11.56 O ATOM 670 OD2 ASP A 71 -3.173 1.736 9.841 1.00 11.54 O ATOM 0 H ASP A 71 -3.797 -2.911 10.591 1.00 10.38 H new ATOM 0 HA ASP A 71 -2.782 -0.868 8.828 1.00 10.55 H new ATOM 0 HB2 ASP A 71 -4.677 -0.427 10.308 1.00 11.00 H new ATOM 0 HB3 ASP A 71 -3.732 -0.867 11.717 1.00 11.00 H new ATOM 675 N SER A 72 -0.387 -1.099 9.415 1.00 10.16 N ATOM 676 CA SER A 72 1.015 -0.982 9.752 1.00 10.18 C ATOM 677 C SER A 72 1.636 0.144 8.941 1.00 9.81 C ATOM 678 O SER A 72 1.459 0.211 7.722 1.00 9.67 O ATOM 679 CB SER A 72 1.735 -2.307 9.482 1.00 10.51 C ATOM 680 OG SER A 72 3.045 -2.305 10.029 1.00 10.96 O ATOM 0 H SER A 72 -0.581 -1.112 8.414 1.00 10.16 H new ATOM 0 HA SER A 72 1.117 -0.751 10.812 1.00 10.18 H new ATOM 0 HB2 SER A 72 1.161 -3.129 9.911 1.00 10.51 H new ATOM 0 HB3 SER A 72 1.788 -2.482 8.407 1.00 10.51 H new ATOM 0 HG SER A 72 3.664 -1.885 9.395 1.00 10.96 H new ATOM 686 N PRO A 73 2.341 1.066 9.613 1.00 9.90 N ATOM 687 CA PRO A 73 3.012 2.195 8.961 1.00 9.80 C ATOM 688 C PRO A 73 4.220 1.756 8.133 1.00 9.46 C ATOM 689 O PRO A 73 5.339 2.216 8.355 1.00 9.61 O ATOM 690 CB PRO A 73 3.462 3.081 10.134 1.00 10.31 C ATOM 691 CG PRO A 73 2.754 2.552 11.335 1.00 10.68 C ATOM 692 CD PRO A 73 2.524 1.096 11.068 1.00 10.39 C ATOM 0 HA PRO A 73 2.352 2.703 8.258 1.00 9.80 H new ATOM 0 HB2 PRO A 73 4.543 3.037 10.266 1.00 10.31 H new ATOM 0 HB3 PRO A 73 3.205 4.125 9.957 1.00 10.31 H new ATOM 0 HG2 PRO A 73 3.352 2.694 12.235 1.00 10.68 H new ATOM 0 HG3 PRO A 73 1.810 3.074 11.493 1.00 10.68 H new ATOM 0 HD2 PRO A 73 3.371 0.487 11.383 1.00 10.39 H new ATOM 0 HD3 PRO A 73 1.647 0.720 11.595 1.00 10.39 H new ATOM 700 N GLU A 74 3.980 0.863 7.182 1.00 9.22 N ATOM 701 CA GLU A 74 5.026 0.386 6.289 1.00 9.06 C ATOM 702 C GLU A 74 5.477 1.520 5.374 1.00 8.23 C ATOM 703 O GLU A 74 6.620 1.967 5.437 1.00 8.21 O ATOM 704 CB GLU A 74 4.514 -0.788 5.447 1.00 9.74 C ATOM 705 CG GLU A 74 3.836 -1.887 6.255 1.00 10.53 C ATOM 706 CD GLU A 74 4.780 -2.611 7.193 1.00 11.29 C ATOM 707 OE1 GLU A 74 5.249 -3.716 6.840 1.00 11.57 O ATOM 708 OE2 GLU A 74 5.040 -2.094 8.298 1.00 11.76 O ATOM 0 H GLU A 74 3.063 0.452 7.009 1.00 9.22 H new ATOM 0 HA GLU A 74 5.871 0.045 6.887 1.00 9.06 H new ATOM 0 HB2 GLU A 74 3.809 -0.409 4.707 1.00 9.74 H new ATOM 0 HB3 GLU A 74 5.351 -1.220 4.899 1.00 9.74 H new ATOM 0 HG2 GLU A 74 3.022 -1.452 6.835 1.00 10.53 H new ATOM 0 HG3 GLU A 74 3.390 -2.609 5.571 1.00 10.53 H new ATOM 715 N PHE A 75 4.556 1.983 4.533 1.00 7.77 N ATOM 716 CA PHE A 75 4.821 3.090 3.621 1.00 7.11 C ATOM 717 C PHE A 75 3.615 4.020 3.574 1.00 6.04 C ATOM 718 O PHE A 75 3.410 4.742 2.601 1.00 6.09 O ATOM 719 CB PHE A 75 5.127 2.566 2.212 1.00 7.64 C ATOM 720 CG PHE A 75 6.358 1.711 2.129 1.00 8.33 C ATOM 721 CD1 PHE A 75 6.257 0.330 2.066 1.00 8.82 C ATOM 722 CD2 PHE A 75 7.617 2.288 2.115 1.00 8.70 C ATOM 723 CE1 PHE A 75 7.388 -0.460 1.989 1.00 9.64 C ATOM 724 CE2 PHE A 75 8.751 1.503 2.039 1.00 9.54 C ATOM 725 CZ PHE A 75 8.638 0.128 1.975 1.00 10.00 C ATOM 0 H PHE A 75 3.611 1.604 4.465 1.00 7.77 H new ATOM 0 HA PHE A 75 5.689 3.640 3.985 1.00 7.11 H new ATOM 0 HB2 PHE A 75 4.273 1.989 1.857 1.00 7.64 H new ATOM 0 HB3 PHE A 75 5.241 3.415 1.537 1.00 7.64 H new ATOM 0 HD1 PHE A 75 5.282 -0.134 2.077 1.00 8.82 H new ATOM 0 HD2 PHE A 75 7.713 3.363 2.164 1.00 8.70 H new ATOM 0 HE1 PHE A 75 7.295 -1.535 1.940 1.00 9.64 H new ATOM 0 HE2 PHE A 75 9.727 1.965 2.030 1.00 9.54 H new ATOM 0 HZ PHE A 75 9.524 -0.486 1.914 1.00 10.00 H new ATOM 735 N TYR A 76 2.824 3.997 4.643 1.00 5.40 N ATOM 736 CA TYR A 76 1.596 4.784 4.716 1.00 4.59 C ATOM 737 C TYR A 76 1.896 6.280 4.700 1.00 3.79 C ATOM 738 O TYR A 76 2.770 6.753 5.429 1.00 3.92 O ATOM 739 CB TYR A 76 0.809 4.431 5.982 1.00 4.75 C ATOM 740 CG TYR A 76 0.083 3.102 5.923 1.00 5.22 C ATOM 741 CD1 TYR A 76 0.353 2.196 4.905 1.00 5.71 C ATOM 742 CD2 TYR A 76 -0.862 2.748 6.880 1.00 5.53 C ATOM 743 CE1 TYR A 76 -0.297 0.977 4.842 1.00 6.42 C ATOM 744 CE2 TYR A 76 -1.516 1.532 6.822 1.00 6.25 C ATOM 745 CZ TYR A 76 -1.271 0.673 5.824 1.00 6.65 C ATOM 746 OH TYR A 76 -1.882 -0.558 5.744 1.00 7.53 O ATOM 0 H TYR A 76 3.013 3.439 5.475 1.00 5.40 H new ATOM 0 HA TYR A 76 0.996 4.542 3.839 1.00 4.59 H new ATOM 0 HB2 TYR A 76 1.495 4.418 6.829 1.00 4.75 H new ATOM 0 HB3 TYR A 76 0.081 5.220 6.173 1.00 4.75 H new ATOM 0 HD1 TYR A 76 1.083 2.448 4.150 1.00 5.71 H new ATOM 0 HD2 TYR A 76 -1.089 3.435 7.682 1.00 5.53 H new ATOM 0 HE1 TYR A 76 -0.066 0.270 4.059 1.00 6.42 H new ATOM 0 HE2 TYR A 76 -2.231 1.272 7.588 1.00 6.25 H new ATOM 0 HH TYR A 76 -2.530 -0.650 6.473 1.00 7.53 H new ATOM 756 N GLY A 77 1.165 7.022 3.875 1.00 3.20 N ATOM 757 CA GLY A 77 1.364 8.453 3.793 1.00 2.71 C ATOM 758 C GLY A 77 0.047 9.188 3.829 1.00 1.94 C ATOM 759 O GLY A 77 -0.620 9.311 2.800 1.00 2.44 O ATOM 0 H GLY A 77 0.437 6.655 3.261 1.00 3.20 H new ATOM 0 HA2 GLY A 77 1.991 8.784 4.621 1.00 2.71 H new ATOM 0 HA3 GLY A 77 1.895 8.697 2.873 1.00 2.71 H new ATOM 763 N LYS A 78 -0.335 9.650 5.022 1.00 1.39 N ATOM 764 CA LYS A 78 -1.627 10.305 5.233 1.00 1.29 C ATOM 765 C LYS A 78 -2.764 9.312 5.008 1.00 1.03 C ATOM 766 O LYS A 78 -3.888 9.709 4.735 1.00 1.02 O ATOM 767 CB LYS A 78 -1.808 11.499 4.284 1.00 2.10 C ATOM 768 CG LYS A 78 -0.850 12.656 4.521 1.00 2.61 C ATOM 769 CD LYS A 78 -0.971 13.686 3.407 1.00 3.18 C ATOM 770 CE LYS A 78 -0.162 14.937 3.696 1.00 3.78 C ATOM 771 NZ LYS A 78 -0.182 15.879 2.546 1.00 4.14 N ATOM 0 H LYS A 78 0.238 9.581 5.863 1.00 1.39 H new ATOM 0 HA LYS A 78 -1.649 10.667 6.261 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -1.687 11.151 3.258 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -2.830 11.867 4.378 1.00 2.10 H new ATOM 0 HG2 LYS A 78 -1.066 13.124 5.482 1.00 2.61 H new ATOM 0 HG3 LYS A 78 0.173 12.284 4.571 1.00 2.61 H new ATOM 0 HD2 LYS A 78 -0.634 13.246 2.469 1.00 3.18 H new ATOM 0 HD3 LYS A 78 -2.019 13.955 3.275 1.00 3.18 H new ATOM 0 HE2 LYS A 78 -0.561 15.433 4.581 1.00 3.78 H new ATOM 0 HE3 LYS A 78 0.868 14.661 3.923 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 0.381 16.722 2.778 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 0.222 15.413 1.709 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 -1.163 16.161 2.346 1.00 4.14 H new ATOM 785 N PHE A 79 -2.476 8.024 5.184 1.00 0.95 N ATOM 786 CA PHE A 79 -3.382 6.964 4.751 1.00 0.77 C ATOM 787 C PHE A 79 -4.783 7.108 5.351 1.00 0.70 C ATOM 788 O PHE A 79 -5.779 6.731 4.705 1.00 0.64 O ATOM 789 CB PHE A 79 -2.803 5.591 5.103 1.00 0.88 C ATOM 790 CG PHE A 79 -3.522 4.458 4.428 1.00 0.79 C ATOM 791 CD1 PHE A 79 -4.475 3.713 5.105 1.00 0.86 C ATOM 792 CD2 PHE A 79 -3.254 4.152 3.105 1.00 0.78 C ATOM 793 CE1 PHE A 79 -5.148 2.686 4.471 1.00 0.85 C ATOM 794 CE2 PHE A 79 -3.920 3.124 2.467 1.00 0.84 C ATOM 795 CZ PHE A 79 -4.868 2.391 3.151 1.00 0.82 C ATOM 0 H PHE A 79 -1.619 7.689 5.625 1.00 0.95 H new ATOM 0 HA PHE A 79 -3.480 7.054 3.669 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -1.750 5.564 4.822 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -2.848 5.450 6.183 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -4.694 3.938 6.139 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -2.515 4.724 2.565 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -5.892 2.115 5.007 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -3.699 2.894 1.435 1.00 0.84 H new ATOM 0 HZ PHE A 79 -5.391 1.587 2.654 1.00 0.82 H new ATOM 805 N LYS A 80 -4.866 7.688 6.557 1.00 0.82 N ATOM 806 CA LYS A 80 -6.149 7.797 7.242 1.00 0.89 C ATOM 807 C LYS A 80 -6.929 8.987 6.709 1.00 0.81 C ATOM 808 O LYS A 80 -8.150 8.926 6.547 1.00 0.87 O ATOM 809 CB LYS A 80 -5.974 7.925 8.760 1.00 1.12 C ATOM 810 CG LYS A 80 -5.618 6.624 9.466 1.00 1.66 C ATOM 811 CD LYS A 80 -4.194 6.186 9.172 1.00 2.17 C ATOM 812 CE LYS A 80 -3.882 4.846 9.813 1.00 2.87 C ATOM 813 NZ LYS A 80 -4.702 3.750 9.236 1.00 3.48 N ATOM 0 H LYS A 80 -4.073 8.080 7.065 1.00 0.82 H new ATOM 0 HA LYS A 80 -6.705 6.880 7.046 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -5.194 8.659 8.963 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -6.897 8.315 9.188 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -5.744 6.749 10.541 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -6.309 5.841 9.154 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -4.048 6.118 8.094 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -3.497 6.938 9.541 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -2.825 4.617 9.679 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -4.061 4.907 10.886 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -4.158 2.864 9.252 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -5.570 3.633 9.797 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -4.953 3.984 8.254 1.00 3.48 H new ATOM 827 N GLU A 81 -6.211 10.056 6.410 1.00 0.78 N ATOM 828 CA GLU A 81 -6.828 11.254 5.882 1.00 0.78 C ATOM 829 C GLU A 81 -7.110 11.047 4.404 1.00 0.62 C ATOM 830 O GLU A 81 -8.086 11.557 3.865 1.00 0.64 O ATOM 831 CB GLU A 81 -5.913 12.461 6.093 1.00 0.96 C ATOM 832 CG GLU A 81 -6.609 13.795 5.880 1.00 1.53 C ATOM 833 CD GLU A 81 -7.691 14.052 6.907 1.00 2.31 C ATOM 834 OE1 GLU A 81 -8.886 14.034 6.536 1.00 3.07 O ATOM 835 OE2 GLU A 81 -7.360 14.269 8.090 1.00 2.63 O ATOM 0 H GLU A 81 -5.199 10.116 6.525 1.00 0.78 H new ATOM 0 HA GLU A 81 -7.763 11.449 6.406 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -5.510 12.428 7.105 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -5.067 12.389 5.410 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -5.872 14.597 5.924 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -7.046 13.818 4.882 1.00 1.53 H new ATOM 842 N GLY A 82 -6.262 10.246 3.778 1.00 0.55 N ATOM 843 CA GLY A 82 -6.380 9.936 2.383 1.00 0.47 C ATOM 844 C GLY A 82 -7.726 9.346 2.051 1.00 0.46 C ATOM 845 O GLY A 82 -8.369 9.717 1.066 1.00 0.49 O ATOM 0 H GLY A 82 -5.471 9.795 4.237 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -6.225 10.841 1.796 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.596 9.234 2.099 1.00 0.47 H new ATOM 849 N VAL A 83 -8.147 8.433 2.905 1.00 0.51 N ATOM 850 CA VAL A 83 -9.403 7.723 2.731 1.00 0.61 C ATOM 851 C VAL A 83 -10.591 8.658 2.921 1.00 0.70 C ATOM 852 O VAL A 83 -11.449 8.776 2.045 1.00 0.79 O ATOM 853 CB VAL A 83 -9.499 6.729 3.598 1.00 0.70 C ATOM 854 CG1 VAL A 83 -10.844 6.018 3.474 1.00 0.85 C ATOM 855 CG2 VAL A 83 -8.361 5.736 3.424 1.00 0.69 C ATOM 0 H VAL A 83 -7.629 8.161 3.740 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.417 7.327 1.715 1.00 0.61 H new ATOM 0 HB VAL A 83 -9.429 7.160 4.597 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -10.894 5.206 4.199 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -11.649 6.727 3.667 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -10.950 5.613 2.468 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -8.467 4.930 4.150 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -8.390 5.322 2.416 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -7.409 6.243 3.581 1.00 0.69 H new ATOM 865 N ALA A 84 -10.602 9.359 4.043 1.00 0.76 N ATOM 866 CA ALA A 84 -11.776 10.109 4.450 1.00 0.94 C ATOM 867 C ALA A 84 -11.874 11.433 3.722 1.00 0.88 C ATOM 868 O ALA A 84 -12.968 11.950 3.495 1.00 1.07 O ATOM 869 CB ALA A 84 -11.778 10.311 5.956 1.00 1.12 C ATOM 0 H ALA A 84 -9.813 9.424 4.686 1.00 0.76 H new ATOM 0 HA ALA A 84 -12.657 9.527 4.177 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -12.664 10.875 6.246 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -11.786 9.341 6.453 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -10.885 10.862 6.250 1.00 1.12 H new ATOM 875 N SER A 85 -10.732 11.976 3.348 1.00 0.76 N ATOM 876 CA SER A 85 -10.711 13.173 2.522 1.00 0.84 C ATOM 877 C SER A 85 -11.148 12.799 1.110 1.00 0.94 C ATOM 878 O SER A 85 -11.690 13.619 0.365 1.00 1.22 O ATOM 879 CB SER A 85 -9.315 13.810 2.516 1.00 1.19 C ATOM 880 OG SER A 85 -9.298 15.028 1.794 1.00 1.88 O ATOM 0 H SER A 85 -9.812 11.613 3.599 1.00 0.76 H new ATOM 0 HA SER A 85 -11.400 13.912 2.932 1.00 0.84 H new ATOM 0 HB2 SER A 85 -8.993 13.990 3.542 1.00 1.19 H new ATOM 0 HB3 SER A 85 -8.600 13.116 2.075 1.00 1.19 H new ATOM 0 HG SER A 85 -8.394 15.406 1.812 1.00 1.88 H new ATOM 886 N GLY A 86 -10.924 11.535 0.763 1.00 0.96 N ATOM 887 CA GLY A 86 -11.364 11.020 -0.515 1.00 1.46 C ATOM 888 C GLY A 86 -10.424 11.387 -1.634 1.00 1.21 C ATOM 889 O GLY A 86 -10.787 11.317 -2.805 1.00 1.66 O ATOM 0 H GLY A 86 -10.441 10.856 1.352 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -11.450 9.935 -0.457 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.358 11.407 -0.737 1.00 1.46 H new ATOM 893 N ASN A 87 -9.207 11.760 -1.277 1.00 0.66 N ATOM 894 CA ASN A 87 -8.244 12.225 -2.267 1.00 0.67 C ATOM 895 C ASN A 87 -6.847 11.712 -1.981 1.00 0.52 C ATOM 896 O ASN A 87 -5.856 12.432 -2.120 1.00 0.72 O ATOM 897 CB ASN A 87 -8.238 13.761 -2.365 1.00 0.95 C ATOM 898 CG ASN A 87 -7.914 14.463 -1.050 1.00 1.40 C ATOM 899 OD1 ASN A 87 -7.299 13.897 -0.144 1.00 2.08 O ATOM 900 ND2 ASN A 87 -8.312 15.721 -0.948 1.00 1.72 N ATOM 0 H ASN A 87 -8.862 11.751 -0.317 1.00 0.66 H new ATOM 0 HA ASN A 87 -8.560 11.819 -3.228 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -7.509 14.064 -3.117 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -9.215 14.097 -2.714 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -8.112 16.252 -0.101 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -8.819 16.159 -1.717 1.00 1.72 H new ATOM 907 N LEU A 88 -6.774 10.451 -1.614 1.00 0.40 N ATOM 908 CA LEU A 88 -5.506 9.816 -1.318 1.00 0.32 C ATOM 909 C LEU A 88 -4.666 9.639 -2.566 1.00 0.30 C ATOM 910 O LEU A 88 -4.771 8.628 -3.250 1.00 0.34 O ATOM 911 CB LEU A 88 -5.716 8.459 -0.669 1.00 0.37 C ATOM 912 CG LEU A 88 -4.732 8.150 0.433 1.00 0.42 C ATOM 913 CD1 LEU A 88 -5.122 6.878 1.167 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.309 8.040 -0.095 1.00 0.48 C ATOM 0 H LEU A 88 -7.584 9.840 -1.513 1.00 0.40 H new ATOM 0 HA LEU A 88 -4.978 10.474 -0.627 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.727 8.413 -0.264 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.644 7.686 -1.434 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.763 8.983 1.135 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -4.398 6.677 1.956 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -6.112 7.000 1.606 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -5.136 6.043 0.466 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.631 7.817 0.729 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -3.256 7.241 -0.835 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -3.019 8.983 -0.558 1.00 0.48 H new ATOM 926 N ASN A 89 -3.867 10.633 -2.881 1.00 0.32 N ATOM 927 CA ASN A 89 -2.860 10.484 -3.906 1.00 0.34 C ATOM 928 C ASN A 89 -1.622 11.280 -3.488 1.00 0.40 C ATOM 929 O ASN A 89 -1.590 12.506 -3.567 1.00 0.50 O ATOM 930 CB ASN A 89 -3.422 10.879 -5.296 1.00 0.41 C ATOM 931 CG ASN A 89 -3.534 12.375 -5.544 1.00 1.12 C ATOM 932 OD1 ASN A 89 -2.605 13.002 -6.059 1.00 2.01 O ATOM 933 ND2 ASN A 89 -4.683 12.953 -5.217 1.00 1.62 N ATOM 0 H ASN A 89 -3.895 11.553 -2.442 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.562 9.440 -4.008 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -2.783 10.445 -6.066 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.409 10.432 -5.412 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -4.820 13.949 -5.390 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -5.429 12.401 -4.793 1.00 1.62 H new ATOM 940 N THR A 90 -0.615 10.582 -2.964 1.00 0.39 N ATOM 941 CA THR A 90 0.537 11.244 -2.403 1.00 0.50 C ATOM 942 C THR A 90 1.820 10.634 -2.918 1.00 0.55 C ATOM 943 O THR A 90 1.850 9.467 -3.311 1.00 0.69 O ATOM 944 CB THR A 90 0.537 11.174 -1.081 1.00 0.68 C ATOM 945 OG1 THR A 90 0.262 9.823 -0.673 1.00 1.67 O ATOM 946 CG2 THR A 90 -0.477 12.122 -0.459 1.00 1.22 C ATOM 0 H THR A 90 -0.584 9.563 -2.921 1.00 0.39 H new ATOM 0 HA THR A 90 0.480 12.288 -2.710 1.00 0.50 H new ATOM 0 HB THR A 90 1.523 11.477 -0.729 1.00 0.68 H new ATOM 0 HG1 THR A 90 0.264 9.770 0.306 1.00 1.67 H new ATOM 0 HG21 THR A 90 -0.442 12.031 0.627 1.00 1.22 H new ATOM 0 HG22 THR A 90 -0.240 13.147 -0.745 1.00 1.22 H new ATOM 0 HG23 THR A 90 -1.476 11.869 -0.812 1.00 1.22 H new ATOM 954 N MET A 91 2.854 11.445 -2.981 1.00 0.72 N ATOM 955 CA MET A 91 4.182 10.957 -3.278 1.00 1.00 C ATOM 956 C MET A 91 5.083 11.263 -2.104 1.00 0.88 C ATOM 957 O MET A 91 5.096 12.380 -1.588 1.00 0.92 O ATOM 958 CB MET A 91 4.726 11.544 -4.590 1.00 1.53 C ATOM 959 CG MET A 91 4.608 13.059 -4.721 1.00 2.33 C ATOM 960 SD MET A 91 5.965 13.954 -3.937 1.00 3.24 S ATOM 961 CE MET A 91 7.357 13.333 -4.877 1.00 3.94 C ATOM 0 H MET A 91 2.799 12.452 -2.829 1.00 0.72 H new ATOM 0 HA MET A 91 4.145 9.878 -3.428 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.776 11.268 -4.685 1.00 1.53 H new ATOM 0 HB3 MET A 91 4.198 11.081 -5.423 1.00 1.53 H new ATOM 0 HG2 MET A 91 4.571 13.323 -5.778 1.00 2.33 H new ATOM 0 HG3 MET A 91 3.666 13.382 -4.279 1.00 2.33 H new ATOM 0 HE1 MET A 91 8.141 14.090 -4.910 1.00 3.94 H new ATOM 0 HE2 MET A 91 7.743 12.431 -4.402 1.00 3.94 H new ATOM 0 HE3 MET A 91 7.035 13.099 -5.892 1.00 3.94 H new ATOM 971 N PHE A 92 5.787 10.256 -1.644 1.00 0.98 N ATOM 972 CA PHE A 92 6.607 10.396 -0.464 1.00 1.01 C ATOM 973 C PHE A 92 7.918 9.673 -0.673 1.00 0.90 C ATOM 974 O PHE A 92 7.936 8.505 -1.043 1.00 0.85 O ATOM 975 CB PHE A 92 5.870 9.831 0.757 1.00 1.24 C ATOM 976 CG PHE A 92 6.489 10.199 2.076 1.00 1.49 C ATOM 977 CD1 PHE A 92 6.102 11.355 2.732 1.00 1.94 C ATOM 978 CD2 PHE A 92 7.451 9.392 2.661 1.00 1.58 C ATOM 979 CE1 PHE A 92 6.662 11.699 3.948 1.00 2.47 C ATOM 980 CE2 PHE A 92 8.015 9.730 3.875 1.00 2.01 C ATOM 981 CZ PHE A 92 7.620 10.885 4.519 1.00 2.46 C ATOM 0 H PHE A 92 5.808 9.329 -2.070 1.00 0.98 H new ATOM 0 HA PHE A 92 6.810 11.452 -0.285 1.00 1.01 H new ATOM 0 HB2 PHE A 92 4.839 10.185 0.741 1.00 1.24 H new ATOM 0 HB3 PHE A 92 5.835 8.745 0.675 1.00 1.24 H new ATOM 0 HD1 PHE A 92 5.354 11.995 2.289 1.00 1.94 H new ATOM 0 HD2 PHE A 92 7.764 8.487 2.161 1.00 1.58 H new ATOM 0 HE1 PHE A 92 6.351 12.603 4.451 1.00 2.47 H new ATOM 0 HE2 PHE A 92 8.764 9.092 4.320 1.00 2.01 H new ATOM 0 HZ PHE A 92 8.060 11.152 5.469 1.00 2.46 H new ATOM 991 N GLU A 93 9.012 10.360 -0.445 1.00 0.98 N ATOM 992 CA GLU A 93 10.307 9.738 -0.570 1.00 0.97 C ATOM 993 C GLU A 93 10.681 9.167 0.790 1.00 1.21 C ATOM 994 O GLU A 93 10.985 9.925 1.719 1.00 1.50 O ATOM 995 CB GLU A 93 11.359 10.770 -0.990 1.00 1.18 C ATOM 996 CG GLU A 93 10.913 11.730 -2.087 1.00 1.33 C ATOM 997 CD GLU A 93 10.926 11.110 -3.465 1.00 1.57 C ATOM 998 OE1 GLU A 93 11.646 10.112 -3.665 1.00 1.97 O ATOM 999 OE2 GLU A 93 10.204 11.602 -4.348 1.00 1.92 O ATOM 0 H GLU A 93 9.031 11.343 -0.174 1.00 0.98 H new ATOM 0 HA GLU A 93 10.270 8.955 -1.328 1.00 0.97 H new ATOM 0 HB2 GLU A 93 11.647 11.351 -0.114 1.00 1.18 H new ATOM 0 HB3 GLU A 93 12.250 10.242 -1.329 1.00 1.18 H new ATOM 0 HG2 GLU A 93 9.906 12.083 -1.864 1.00 1.33 H new ATOM 0 HG3 GLU A 93 11.565 12.604 -2.083 1.00 1.33 H new ATOM 1006 N TYR A 94 10.636 7.847 0.917 1.00 1.23 N ATOM 1007 CA TYR A 94 10.833 7.217 2.208 1.00 1.60 C ATOM 1008 C TYR A 94 12.173 6.504 2.257 1.00 1.67 C ATOM 1009 O TYR A 94 12.347 5.432 1.673 1.00 1.62 O ATOM 1010 CB TYR A 94 9.696 6.235 2.513 1.00 1.88 C ATOM 1011 CG TYR A 94 9.660 5.779 3.955 1.00 2.23 C ATOM 1012 CD1 TYR A 94 10.090 4.510 4.318 1.00 2.63 C ATOM 1013 CD2 TYR A 94 9.196 6.625 4.955 1.00 2.62 C ATOM 1014 CE1 TYR A 94 10.058 4.097 5.639 1.00 3.18 C ATOM 1015 CE2 TYR A 94 9.162 6.221 6.273 1.00 3.33 C ATOM 1016 CZ TYR A 94 9.594 4.959 6.611 1.00 3.51 C ATOM 1017 OH TYR A 94 9.559 4.556 7.930 1.00 4.29 O ATOM 0 H TYR A 94 10.466 7.200 0.147 1.00 1.23 H new ATOM 0 HA TYR A 94 10.827 7.997 2.969 1.00 1.60 H new ATOM 0 HB2 TYR A 94 8.744 6.706 2.266 1.00 1.88 H new ATOM 0 HB3 TYR A 94 9.797 5.363 1.867 1.00 1.88 H new ATOM 0 HD1 TYR A 94 10.455 3.835 3.558 1.00 2.63 H new ATOM 0 HD2 TYR A 94 8.856 7.617 4.695 1.00 2.62 H new ATOM 0 HE1 TYR A 94 10.394 3.106 5.907 1.00 3.18 H new ATOM 0 HE2 TYR A 94 8.798 6.892 7.037 1.00 3.33 H new ATOM 0 HH TYR A 94 9.207 5.283 8.485 1.00 4.29 H new ATOM 1027 N THR A 95 13.125 7.123 2.926 1.00 1.95 N ATOM 1028 CA THR A 95 14.418 6.518 3.136 1.00 2.19 C ATOM 1029 C THR A 95 14.461 5.839 4.500 1.00 2.45 C ATOM 1030 O THR A 95 13.997 6.404 5.493 1.00 2.63 O ATOM 1031 CB THR A 95 15.381 7.418 3.060 1.00 2.45 C ATOM 1032 OG1 THR A 95 15.133 8.297 1.947 1.00 2.89 O ATOM 1033 CG2 THR A 95 16.746 6.766 2.901 1.00 2.83 C ATOM 0 H THR A 95 13.023 8.052 3.335 1.00 1.95 H new ATOM 0 HA THR A 95 14.575 5.776 2.353 1.00 2.19 H new ATOM 0 HB THR A 95 15.386 7.985 3.991 1.00 2.45 H new ATOM 0 HG1 THR A 95 15.847 8.966 1.893 1.00 2.89 H new ATOM 0 HG21 THR A 95 17.513 7.538 2.842 1.00 2.83 H new ATOM 0 HG22 THR A 95 16.944 6.123 3.758 1.00 2.83 H new ATOM 0 HG23 THR A 95 16.760 6.170 1.989 1.00 2.83 H new ATOM 1041 N PHE A 96 14.946 4.605 4.540 1.00 2.62 N ATOM 1042 CA PHE A 96 15.090 3.886 5.800 1.00 3.02 C ATOM 1043 C PHE A 96 16.338 4.342 6.543 1.00 3.39 C ATOM 1044 O PHE A 96 16.388 4.279 7.774 1.00 3.84 O ATOM 1045 CB PHE A 96 15.138 2.373 5.565 1.00 3.29 C ATOM 1046 CG PHE A 96 13.807 1.776 5.202 1.00 3.71 C ATOM 1047 CD1 PHE A 96 12.920 1.368 6.185 1.00 4.45 C ATOM 1048 CD2 PHE A 96 13.441 1.628 3.875 1.00 3.78 C ATOM 1049 CE1 PHE A 96 11.694 0.825 5.851 1.00 5.24 C ATOM 1050 CE2 PHE A 96 12.217 1.085 3.532 1.00 4.50 C ATOM 1051 CZ PHE A 96 11.349 0.659 4.539 1.00 5.25 C ATOM 0 H PHE A 96 15.246 4.082 3.717 1.00 2.62 H new ATOM 0 HA PHE A 96 14.218 4.112 6.414 1.00 3.02 H new ATOM 0 HB2 PHE A 96 15.851 2.160 4.769 1.00 3.29 H new ATOM 0 HB3 PHE A 96 15.511 1.886 6.466 1.00 3.29 H new ATOM 0 HD1 PHE A 96 13.190 1.476 7.225 1.00 4.45 H new ATOM 0 HD2 PHE A 96 14.121 1.941 3.097 1.00 3.78 H new ATOM 0 HE1 PHE A 96 11.006 0.531 6.630 1.00 5.24 H new ATOM 0 HE2 PHE A 96 11.935 0.991 2.494 1.00 4.50 H new ATOM 0 HZ PHE A 96 10.406 0.199 4.282 1.00 5.25 H new ATOM 1061 N ASP A 97 17.330 4.814 5.781 1.00 3.71 N ATOM 1062 CA ASP A 97 18.607 5.285 6.336 1.00 4.37 C ATOM 1063 C ASP A 97 19.413 4.108 6.895 1.00 4.59 C ATOM 1064 O ASP A 97 18.915 2.976 6.936 1.00 4.90 O ATOM 1065 CB ASP A 97 18.358 6.362 7.410 1.00 5.00 C ATOM 1066 CG ASP A 97 19.631 6.975 7.963 1.00 5.62 C ATOM 1067 OD1 ASP A 97 19.984 6.675 9.123 1.00 5.98 O ATOM 1068 OD2 ASP A 97 20.280 7.752 7.242 1.00 6.06 O ATOM 0 H ASP A 97 17.273 4.881 4.765 1.00 3.71 H new ATOM 0 HA ASP A 97 19.195 5.739 5.538 1.00 4.37 H new ATOM 0 HB2 ASP A 97 17.740 7.152 6.984 1.00 5.00 H new ATOM 0 HB3 ASP A 97 17.791 5.921 8.230 1.00 5.00 H new ATOM 1073 N TYR A 98 20.668 4.364 7.277 1.00 4.86 N ATOM 1074 CA TYR A 98 21.536 3.337 7.856 1.00 5.39 C ATOM 1075 C TYR A 98 21.872 2.282 6.791 1.00 5.39 C ATOM 1076 O TYR A 98 21.590 2.491 5.608 1.00 5.65 O ATOM 1077 CB TYR A 98 20.849 2.722 9.097 1.00 6.08 C ATOM 1078 CG TYR A 98 21.704 1.774 9.911 1.00 6.83 C ATOM 1079 CD1 TYR A 98 21.376 0.429 10.027 1.00 7.42 C ATOM 1080 CD2 TYR A 98 22.847 2.229 10.554 1.00 7.24 C ATOM 1081 CE1 TYR A 98 22.162 -0.435 10.766 1.00 8.35 C ATOM 1082 CE2 TYR A 98 23.638 1.374 11.292 1.00 8.16 C ATOM 1083 CZ TYR A 98 23.254 0.021 11.410 1.00 8.70 C ATOM 1084 OH TYR A 98 24.080 -0.807 12.139 1.00 9.77 O ATOM 0 H TYR A 98 21.107 5.281 7.194 1.00 4.86 H new ATOM 0 HA TYR A 98 22.477 3.777 8.185 1.00 5.39 H new ATOM 0 HB2 TYR A 98 20.517 3.532 9.746 1.00 6.08 H new ATOM 0 HB3 TYR A 98 19.956 2.189 8.770 1.00 6.08 H new ATOM 0 HD1 TYR A 98 20.493 0.053 9.532 1.00 7.42 H new ATOM 0 HD2 TYR A 98 23.121 3.271 10.475 1.00 7.24 H new ATOM 0 HE1 TYR A 98 21.899 -1.481 10.827 1.00 8.35 H new ATOM 0 HE2 TYR A 98 24.536 1.734 11.772 1.00 8.16 H new ATOM 0 HH TYR A 98 24.812 -0.282 12.524 1.00 9.77 H new ATOM 1094 N GLN A 99 22.518 1.188 7.206 1.00 5.51 N ATOM 1095 CA GLN A 99 22.830 0.063 6.322 1.00 5.83 C ATOM 1096 C GLN A 99 23.924 0.436 5.323 1.00 5.62 C ATOM 1097 O GLN A 99 24.468 1.542 5.371 1.00 5.86 O ATOM 1098 CB GLN A 99 21.565 -0.410 5.591 1.00 6.51 C ATOM 1099 CG GLN A 99 20.453 -0.843 6.534 1.00 7.10 C ATOM 1100 CD GLN A 99 19.121 -1.010 5.831 1.00 7.79 C ATOM 1101 OE1 GLN A 99 18.802 -2.086 5.328 1.00 8.08 O ATOM 1102 NE2 GLN A 99 18.330 0.053 5.796 1.00 8.34 N ATOM 0 H GLN A 99 22.839 1.058 8.165 1.00 5.51 H new ATOM 0 HA GLN A 99 23.203 -0.757 6.935 1.00 5.83 H new ATOM 0 HB2 GLN A 99 21.199 0.395 4.954 1.00 6.51 H new ATOM 0 HB3 GLN A 99 21.822 -1.243 4.936 1.00 6.51 H new ATOM 0 HG2 GLN A 99 20.730 -1.785 7.007 1.00 7.10 H new ATOM 0 HG3 GLN A 99 20.349 -0.105 7.330 1.00 7.10 H new ATOM 0 HE21 GLN A 99 18.632 0.928 6.225 1.00 8.34 H new ATOM 0 HE22 GLN A 99 17.419 -0.004 5.340 1.00 8.34 H new ATOM 1111 N MET A 100 24.265 -0.499 4.441 1.00 5.51 N ATOM 1112 CA MET A 100 25.273 -0.251 3.410 1.00 5.61 C ATOM 1113 C MET A 100 24.825 0.898 2.520 1.00 5.03 C ATOM 1114 O MET A 100 25.624 1.740 2.110 1.00 5.20 O ATOM 1115 CB MET A 100 25.512 -1.504 2.559 1.00 6.33 C ATOM 1116 CG MET A 100 25.975 -2.720 3.355 1.00 6.86 C ATOM 1117 SD MET A 100 24.669 -3.439 4.376 1.00 7.54 S ATOM 1118 CE MET A 100 23.528 -4.012 3.116 1.00 8.19 C ATOM 0 H MET A 100 23.860 -1.435 4.418 1.00 5.51 H new ATOM 0 HA MET A 100 26.209 0.011 3.903 1.00 5.61 H new ATOM 0 HB2 MET A 100 24.590 -1.756 2.036 1.00 6.33 H new ATOM 0 HB3 MET A 100 26.258 -1.276 1.798 1.00 6.33 H new ATOM 0 HG2 MET A 100 26.347 -3.478 2.666 1.00 6.86 H new ATOM 0 HG3 MET A 100 26.810 -2.432 3.994 1.00 6.86 H new ATOM 0 HE1 MET A 100 23.205 -5.026 3.351 1.00 8.19 H new ATOM 0 HE2 MET A 100 22.660 -3.353 3.084 1.00 8.19 H new ATOM 0 HE3 MET A 100 24.024 -4.005 2.146 1.00 8.19 H new ATOM 1128 N THR A 101 23.538 0.924 2.237 1.00 4.63 N ATOM 1129 CA THR A 101 22.938 2.016 1.508 1.00 4.25 C ATOM 1130 C THR A 101 21.587 2.356 2.130 1.00 3.46 C ATOM 1131 O THR A 101 20.860 1.461 2.575 1.00 3.35 O ATOM 1132 CB THR A 101 22.812 1.735 0.211 1.00 4.65 C ATOM 1133 OG1 THR A 101 22.184 2.819 -0.488 1.00 5.10 O ATOM 1134 CG2 THR A 101 22.029 0.450 -0.023 1.00 5.07 C ATOM 0 H THR A 101 22.883 0.190 2.506 1.00 4.63 H new ATOM 0 HA THR A 101 23.595 2.883 1.578 1.00 4.25 H new ATOM 0 HB THR A 101 23.820 1.591 -0.179 1.00 4.65 H new ATOM 0 HG1 THR A 101 22.103 2.592 -1.438 1.00 5.10 H new ATOM 0 HG21 THR A 101 21.951 0.261 -1.094 1.00 5.07 H new ATOM 0 HG22 THR A 101 22.544 -0.382 0.456 1.00 5.07 H new ATOM 0 HG23 THR A 101 21.030 0.550 0.401 1.00 5.07 H new ATOM 1142 N PRO A 102 21.275 3.653 2.268 1.00 3.42 N ATOM 1143 CA PRO A 102 19.999 4.093 2.810 1.00 3.17 C ATOM 1144 C PRO A 102 18.863 3.751 1.862 1.00 2.61 C ATOM 1145 O PRO A 102 18.674 4.421 0.850 1.00 2.79 O ATOM 1146 CB PRO A 102 20.150 5.616 2.945 1.00 3.96 C ATOM 1147 CG PRO A 102 21.606 5.894 2.774 1.00 4.51 C ATOM 1148 CD PRO A 102 22.140 4.787 1.915 1.00 4.18 C ATOM 0 HA PRO A 102 19.762 3.610 3.758 1.00 3.17 H new ATOM 0 HB2 PRO A 102 19.561 6.136 2.190 1.00 3.96 H new ATOM 0 HB3 PRO A 102 19.797 5.960 3.917 1.00 3.96 H new ATOM 0 HG2 PRO A 102 21.765 6.864 2.304 1.00 4.51 H new ATOM 0 HG3 PRO A 102 22.114 5.920 3.738 1.00 4.51 H new ATOM 0 HD2 PRO A 102 22.074 5.031 0.855 1.00 4.18 H new ATOM 0 HD3 PRO A 102 23.188 4.578 2.130 1.00 4.18 H new ATOM 1156 N THR A 103 18.138 2.683 2.177 1.00 2.26 N ATOM 1157 CA THR A 103 17.046 2.212 1.341 1.00 1.91 C ATOM 1158 C THR A 103 16.011 3.313 1.122 1.00 1.65 C ATOM 1159 O THR A 103 15.146 3.548 1.966 1.00 1.74 O ATOM 1160 CB THR A 103 16.462 1.177 1.911 1.00 2.12 C ATOM 1161 OG1 THR A 103 17.464 0.299 2.456 1.00 2.59 O ATOM 1162 CG2 THR A 103 15.595 0.409 0.923 1.00 2.29 C ATOM 0 H THR A 103 18.292 2.123 3.016 1.00 2.26 H new ATOM 0 HA THR A 103 17.459 1.922 0.375 1.00 1.91 H new ATOM 0 HB THR A 103 15.817 1.550 2.707 1.00 2.12 H new ATOM 0 HG1 THR A 103 17.029 -0.470 2.881 1.00 2.59 H new ATOM 0 HG21 THR A 103 15.130 -0.437 1.428 1.00 2.29 H new ATOM 0 HG22 THR A 103 14.820 1.068 0.530 1.00 2.29 H new ATOM 0 HG23 THR A 103 16.213 0.046 0.102 1.00 2.29 H new ATOM 1170 N LYS A 104 16.108 3.979 -0.019 1.00 1.52 N ATOM 1171 CA LYS A 104 15.196 5.051 -0.357 1.00 1.37 C ATOM 1172 C LYS A 104 14.219 4.611 -1.433 1.00 1.18 C ATOM 1173 O LYS A 104 14.624 4.272 -2.556 1.00 1.26 O ATOM 1174 CB LYS A 104 15.973 6.266 -0.855 1.00 1.53 C ATOM 1175 CG LYS A 104 15.086 7.462 -1.152 1.00 1.64 C ATOM 1176 CD LYS A 104 15.876 8.619 -1.737 1.00 2.24 C ATOM 1177 CE LYS A 104 14.947 9.713 -2.234 1.00 2.60 C ATOM 1178 NZ LYS A 104 13.995 9.192 -3.248 1.00 3.12 N ATOM 0 H LYS A 104 16.816 3.791 -0.728 1.00 1.52 H new ATOM 0 HA LYS A 104 14.639 5.314 0.543 1.00 1.37 H new ATOM 0 HB2 LYS A 104 16.713 6.548 -0.106 1.00 1.53 H new ATOM 0 HB3 LYS A 104 16.520 5.994 -1.758 1.00 1.53 H new ATOM 0 HG2 LYS A 104 14.301 7.168 -1.849 1.00 1.64 H new ATOM 0 HG3 LYS A 104 14.593 7.785 -0.235 1.00 1.64 H new ATOM 0 HD2 LYS A 104 16.549 9.024 -0.981 1.00 2.24 H new ATOM 0 HD3 LYS A 104 16.497 8.262 -2.559 1.00 2.24 H new ATOM 0 HE2 LYS A 104 14.394 10.133 -1.394 1.00 2.60 H new ATOM 0 HE3 LYS A 104 15.534 10.524 -2.666 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 13.231 9.882 -3.394 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 14.496 9.035 -4.146 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 13.591 8.294 -2.915 1.00 3.12 H new ATOM 1192 N VAL A 105 12.940 4.611 -1.089 1.00 1.04 N ATOM 1193 CA VAL A 105 11.899 4.353 -2.057 1.00 0.90 C ATOM 1194 C VAL A 105 11.027 5.578 -2.233 1.00 0.72 C ATOM 1195 O VAL A 105 11.045 6.496 -1.415 1.00 0.75 O ATOM 1196 CB VAL A 105 11.140 3.315 -1.738 1.00 1.00 C ATOM 1197 CG1 VAL A 105 11.941 2.019 -1.819 1.00 1.23 C ATOM 1198 CG2 VAL A 105 10.512 3.478 -0.359 1.00 1.11 C ATOM 0 H VAL A 105 12.603 4.788 -0.143 1.00 1.04 H new ATOM 0 HA VAL A 105 12.403 4.112 -2.993 1.00 0.90 H new ATOM 0 HB VAL A 105 10.327 3.266 -2.462 1.00 1.00 H new ATOM 0 HG11 VAL A 105 11.300 1.178 -1.553 1.00 1.23 H new ATOM 0 HG12 VAL A 105 12.314 1.885 -2.834 1.00 1.23 H new ATOM 0 HG13 VAL A 105 12.782 2.067 -1.127 1.00 1.23 H new ATOM 0 HG21 VAL A 105 9.897 2.607 -0.134 1.00 1.11 H new ATOM 0 HG22 VAL A 105 11.298 3.571 0.390 1.00 1.11 H new ATOM 0 HG23 VAL A 105 9.891 4.374 -0.346 1.00 1.11 H new ATOM 1208 N LYS A 106 10.314 5.608 -3.330 1.00 0.64 N ATOM 1209 CA LYS A 106 9.389 6.682 -3.608 1.00 0.59 C ATOM 1210 C LYS A 106 7.989 6.110 -3.600 1.00 0.53 C ATOM 1211 O LYS A 106 7.667 5.248 -4.416 1.00 0.68 O ATOM 1212 CB LYS A 106 9.686 7.311 -4.970 1.00 0.79 C ATOM 1213 CG LYS A 106 8.963 8.630 -5.205 1.00 1.39 C ATOM 1214 CD LYS A 106 9.065 9.082 -6.656 1.00 1.61 C ATOM 1215 CE LYS A 106 10.499 9.051 -7.170 1.00 2.08 C ATOM 1216 NZ LYS A 106 11.416 9.916 -6.377 1.00 2.36 N ATOM 0 H LYS A 106 10.356 4.892 -4.055 1.00 0.64 H new ATOM 0 HA LYS A 106 9.489 7.459 -2.850 1.00 0.59 H new ATOM 0 HB2 LYS A 106 10.760 7.475 -5.058 1.00 0.79 H new ATOM 0 HB3 LYS A 106 9.405 6.608 -5.754 1.00 0.79 H new ATOM 0 HG2 LYS A 106 7.913 8.523 -4.931 1.00 1.39 H new ATOM 0 HG3 LYS A 106 9.385 9.397 -4.555 1.00 1.39 H new ATOM 0 HD2 LYS A 106 8.444 8.439 -7.279 1.00 1.61 H new ATOM 0 HD3 LYS A 106 8.670 10.094 -6.748 1.00 1.61 H new ATOM 0 HE2 LYS A 106 10.866 8.025 -7.148 1.00 2.08 H new ATOM 0 HE3 LYS A 106 10.514 9.373 -8.211 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 12.053 10.428 -7.020 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 10.859 10.599 -5.826 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 11.978 9.326 -5.731 1.00 2.36 H new ATOM 1230 N VAL A 107 7.172 6.549 -2.667 1.00 0.47 N ATOM 1231 CA VAL A 107 5.819 6.026 -2.582 1.00 0.49 C ATOM 1232 C VAL A 107 4.906 6.866 -3.434 1.00 0.45 C ATOM 1233 O VAL A 107 5.099 8.078 -3.550 1.00 0.74 O ATOM 1234 CB VAL A 107 5.308 6.020 -1.351 1.00 0.60 C ATOM 1235 CG1 VAL A 107 4.230 4.948 -1.228 1.00 0.99 C ATOM 1236 CG2 VAL A 107 6.365 5.837 -0.274 1.00 1.11 C ATOM 0 H VAL A 107 7.411 7.252 -1.968 1.00 0.47 H new ATOM 0 HA VAL A 107 5.886 4.992 -2.920 1.00 0.49 H new ATOM 0 HB VAL A 107 4.862 7.001 -1.190 1.00 0.60 H new ATOM 0 HG11 VAL A 107 3.823 4.956 -0.217 1.00 0.99 H new ATOM 0 HG12 VAL A 107 3.432 5.151 -1.942 1.00 0.99 H new ATOM 0 HG13 VAL A 107 4.664 3.970 -1.437 1.00 0.99 H new ATOM 0 HG21 VAL A 107 5.889 5.840 0.707 1.00 1.11 H new ATOM 0 HG22 VAL A 107 6.878 4.887 -0.425 1.00 1.11 H new ATOM 0 HG23 VAL A 107 7.087 6.652 -0.330 1.00 1.11 H new ATOM 1246 N HIS A 108 3.955 6.230 -4.080 1.00 0.30 N ATOM 1247 CA HIS A 108 2.881 6.960 -4.687 1.00 0.31 C ATOM 1248 C HIS A 108 1.599 6.190 -4.473 1.00 0.28 C ATOM 1249 O HIS A 108 1.344 5.170 -5.113 1.00 0.31 O ATOM 1250 CB HIS A 108 3.140 7.208 -6.179 1.00 0.43 C ATOM 1251 CG HIS A 108 2.220 8.228 -6.794 1.00 0.56 C ATOM 1252 ND1 HIS A 108 1.883 8.239 -8.131 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.582 9.288 -6.245 1.00 0.71 C ATOM 1254 CE1 HIS A 108 1.074 9.256 -8.371 1.00 1.01 C ATOM 1255 NE2 HIS A 108 0.876 9.908 -7.243 1.00 0.80 N ATOM 0 H HIS A 108 3.908 5.218 -4.195 1.00 0.30 H new ATOM 0 HA HIS A 108 2.802 7.942 -4.221 1.00 0.31 H new ATOM 0 HB2 HIS A 108 4.171 7.537 -6.309 1.00 0.43 H new ATOM 0 HB3 HIS A 108 3.035 6.266 -6.718 1.00 0.43 H new ATOM 0 HD1 HIS A 108 2.208 7.567 -8.826 1.00 0.94 H new ATOM 0 HD2 HIS A 108 1.622 9.590 -5.209 1.00 0.71 H new ATOM 0 HE1 HIS A 108 0.647 9.510 -9.330 1.00 1.01 H new ATOM 1264 N MET A 109 0.817 6.675 -3.539 1.00 0.31 N ATOM 1265 CA MET A 109 -0.498 6.140 -3.302 1.00 0.33 C ATOM 1266 C MET A 109 -1.454 6.942 -4.130 1.00 0.37 C ATOM 1267 O MET A 109 -1.272 8.148 -4.268 1.00 0.55 O ATOM 1268 CB MET A 109 -0.865 6.225 -1.820 1.00 0.43 C ATOM 1269 CG MET A 109 -0.062 5.286 -0.937 1.00 0.77 C ATOM 1270 SD MET A 109 -0.540 5.375 0.801 1.00 1.28 S ATOM 1271 CE MET A 109 0.437 4.037 1.478 1.00 2.22 C ATOM 0 H MET A 109 1.074 7.448 -2.925 1.00 0.31 H new ATOM 0 HA MET A 109 -0.537 5.086 -3.577 1.00 0.33 H new ATOM 0 HB2 MET A 109 -0.716 7.249 -1.476 1.00 0.43 H new ATOM 0 HB3 MET A 109 -1.925 6.001 -1.704 1.00 0.43 H new ATOM 0 HG2 MET A 109 -0.190 4.263 -1.292 1.00 0.77 H new ATOM 0 HG3 MET A 109 0.997 5.525 -1.030 1.00 0.77 H new ATOM 0 HE1 MET A 109 -0.063 3.629 2.356 1.00 2.22 H new ATOM 0 HE2 MET A 109 0.550 3.254 0.729 1.00 2.22 H new ATOM 0 HE3 MET A 109 1.420 4.412 1.762 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.436 6.304 -4.720 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.325 7.028 -5.593 1.00 0.30 C ATOM 1283 C LYS A 110 -4.708 6.432 -5.578 1.00 0.24 C ATOM 1284 O LYS A 110 -4.886 5.226 -5.720 1.00 0.24 O ATOM 1285 CB LYS A 110 -2.757 7.095 -7.018 1.00 0.43 C ATOM 1286 CG LYS A 110 -2.442 5.743 -7.639 1.00 0.64 C ATOM 1287 CD LYS A 110 -1.690 5.904 -8.951 1.00 0.78 C ATOM 1288 CE LYS A 110 -1.534 4.582 -9.682 1.00 1.38 C ATOM 1289 NZ LYS A 110 -2.820 4.127 -10.266 1.00 1.73 N ATOM 0 H LYS A 110 -2.637 5.309 -4.615 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.407 8.049 -5.220 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -3.472 7.615 -7.656 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -1.847 7.695 -7.004 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -1.846 5.151 -6.945 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -3.368 5.194 -7.812 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -2.221 6.611 -9.589 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -0.705 6.329 -8.755 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -0.792 4.688 -10.473 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -1.159 3.826 -8.992 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -2.648 3.318 -10.896 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -3.466 3.841 -9.503 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -3.249 4.903 -10.809 1.00 1.73 H new ATOM 1303 N LYS A 111 -5.672 7.300 -5.381 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.057 6.949 -5.436 1.00 0.22 C ATOM 1305 C LYS A 111 -7.386 6.290 -6.769 1.00 0.22 C ATOM 1306 O LYS A 111 -7.212 6.884 -7.837 1.00 0.29 O ATOM 1307 CB LYS A 111 -7.817 8.250 -5.251 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.324 8.172 -5.394 1.00 0.35 C ATOM 1309 CD LYS A 111 -9.914 9.570 -5.351 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.424 9.569 -5.518 1.00 0.91 C ATOM 1311 NZ LYS A 111 -12.123 9.351 -4.223 1.00 1.78 N ATOM 0 H LYS A 111 -5.505 8.285 -5.175 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.329 6.227 -4.666 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -7.587 8.643 -4.261 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.441 8.972 -5.976 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.585 7.685 -6.334 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -9.744 7.564 -4.593 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -9.657 10.040 -4.402 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -9.465 10.175 -6.139 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -11.743 10.519 -5.948 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -11.711 8.788 -6.222 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -13.152 9.374 -4.376 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -11.851 8.426 -3.833 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -11.856 10.101 -3.554 1.00 1.78 H new ATOM 1325 N ALA A 112 -7.818 5.034 -6.679 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.085 4.205 -7.847 1.00 0.26 C ATOM 1327 C ALA A 112 -9.034 4.903 -8.815 1.00 0.38 C ATOM 1328 O ALA A 112 -9.907 5.665 -8.396 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.654 2.862 -7.424 1.00 0.33 C ATOM 0 H ALA A 112 -7.992 4.564 -5.791 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.140 4.040 -8.364 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.848 2.254 -8.308 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.938 2.350 -6.781 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.585 3.017 -6.879 1.00 0.33 H new ATOM 1335 N LEU A 113 -8.858 4.640 -10.107 1.00 0.47 N ATOM 1336 CA LEU A 113 -9.646 5.304 -11.145 1.00 0.64 C ATOM 1337 C LEU A 113 -11.134 4.986 -11.001 1.00 0.76 C ATOM 1338 O LEU A 113 -11.985 5.765 -11.431 1.00 0.96 O ATOM 1339 CB LEU A 113 -9.155 4.898 -12.543 1.00 0.76 C ATOM 1340 CG LEU A 113 -9.549 3.489 -13.022 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -9.160 3.299 -14.478 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -8.902 2.404 -12.174 1.00 2.39 C ATOM 0 H LEU A 113 -8.175 3.970 -10.462 1.00 0.47 H new ATOM 0 HA LEU A 113 -9.512 6.379 -11.022 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -9.535 5.623 -13.263 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -8.068 4.973 -12.559 1.00 0.76 H new ATOM 0 HG LEU A 113 -10.630 3.400 -12.918 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -9.445 2.298 -14.803 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -9.673 4.039 -15.091 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -8.082 3.423 -14.586 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -9.205 1.424 -12.544 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -7.817 2.495 -12.233 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -9.220 2.515 -11.137 1.00 2.39 H new ATOM 1354 N SER A 114 -11.438 3.846 -10.394 1.00 0.73 N ATOM 1355 CA SER A 114 -12.814 3.461 -10.136 1.00 0.92 C ATOM 1356 C SER A 114 -13.345 4.192 -8.903 1.00 0.93 C ATOM 1357 O SER A 114 -14.352 4.894 -8.967 1.00 1.27 O ATOM 1358 CB SER A 114 -12.896 1.944 -9.948 1.00 1.04 C ATOM 1359 OG SER A 114 -11.857 1.484 -9.096 1.00 1.66 O ATOM 0 H SER A 114 -10.745 3.171 -10.071 1.00 0.73 H new ATOM 0 HA SER A 114 -13.434 3.742 -10.988 1.00 0.92 H new ATOM 0 HB2 SER A 114 -13.864 1.677 -9.525 1.00 1.04 H new ATOM 0 HB3 SER A 114 -12.824 1.449 -10.916 1.00 1.04 H new ATOM 0 HG SER A 114 -11.929 0.513 -8.988 1.00 1.66 H new ATOM 1365 N GLY A 115 -12.644 4.036 -7.786 1.00 0.71 N ATOM 1366 CA GLY A 115 -13.029 4.715 -6.566 1.00 0.79 C ATOM 1367 C GLY A 115 -13.189 3.762 -5.402 1.00 0.78 C ATOM 1368 O GLY A 115 -13.163 2.541 -5.588 1.00 1.52 O ATOM 0 H GLY A 115 -11.814 3.449 -7.705 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -12.278 5.465 -6.318 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -13.967 5.246 -6.729 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.320 4.327 -4.202 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.519 3.550 -2.972 1.00 0.85 C ATOM 1374 C ASP A 116 -12.344 2.609 -2.735 1.00 0.80 C ATOM 1375 O ASP A 116 -12.457 1.568 -2.091 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.845 2.782 -3.035 1.00 1.25 C ATOM 1377 CG ASP A 116 -15.283 2.239 -1.687 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -15.679 1.056 -1.620 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -15.186 2.977 -0.683 1.00 2.79 O ATOM 0 H ASP A 116 -13.292 5.335 -4.052 1.00 0.72 H new ATOM 0 HA ASP A 116 -13.568 4.238 -2.128 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -15.621 3.441 -3.424 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -14.746 1.955 -3.738 1.00 1.25 H new ATOM 1384 N SER A 117 -11.202 3.035 -3.224 1.00 0.42 N ATOM 1385 CA SER A 117 -9.981 2.256 -3.167 1.00 0.29 C ATOM 1386 C SER A 117 -8.790 3.127 -3.543 1.00 0.22 C ATOM 1387 O SER A 117 -8.937 4.114 -4.268 1.00 0.25 O ATOM 1388 CB SER A 117 -10.079 1.047 -4.090 1.00 0.34 C ATOM 1389 OG SER A 117 -10.624 1.399 -5.349 1.00 0.44 O ATOM 0 H SER A 117 -11.091 3.942 -3.678 1.00 0.42 H new ATOM 0 HA SER A 117 -9.839 1.895 -2.148 1.00 0.29 H new ATOM 0 HB2 SER A 117 -9.089 0.613 -4.229 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.700 0.282 -3.624 1.00 0.34 H new ATOM 0 HG SER A 117 -11.552 1.691 -5.233 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.625 2.772 -3.036 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.415 3.564 -3.238 1.00 0.19 C ATOM 1397 C TYR A 118 -5.214 2.643 -3.457 1.00 0.20 C ATOM 1398 O TYR A 118 -5.096 1.604 -2.809 1.00 0.25 O ATOM 1399 CB TYR A 118 -6.178 4.472 -2.020 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.381 5.287 -1.633 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -8.226 4.868 -0.623 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.674 6.463 -2.289 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -9.345 5.604 -0.276 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.785 7.214 -1.952 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.619 6.779 -0.945 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.735 7.517 -0.618 1.00 0.42 O ATOM 0 H TYR A 118 -7.485 1.932 -2.475 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.540 4.187 -4.124 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.878 3.857 -1.172 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.348 5.145 -2.235 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -8.009 3.951 -0.096 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -7.024 6.804 -3.081 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.999 5.261 0.512 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -8.998 8.135 -2.474 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.994 7.326 0.308 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.336 3.009 -4.383 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.179 2.198 -4.693 1.00 0.22 C ATOM 1418 C TRP A 119 -2.011 2.538 -3.799 1.00 0.25 C ATOM 1419 O TRP A 119 -1.958 3.608 -3.203 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.731 2.429 -6.125 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.661 1.912 -7.162 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -4.910 2.370 -7.461 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.392 0.848 -8.066 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.446 1.626 -8.488 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.525 0.682 -8.875 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.298 0.010 -8.256 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -4.592 -0.292 -9.866 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.361 -0.953 -9.230 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -3.501 -1.102 -10.029 1.00 0.42 C ATOM 0 H TRP A 119 -4.409 3.866 -4.931 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.477 1.160 -4.542 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.596 3.499 -6.280 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.757 1.961 -6.266 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.405 3.193 -6.966 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.373 1.754 -8.894 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.413 0.116 -7.646 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -5.471 -0.405 -10.483 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -1.516 -1.608 -9.384 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -3.520 -1.870 -10.788 1.00 0.42 H new ATOM 1440 N VAL A 120 -1.074 1.612 -3.750 1.00 0.28 N ATOM 1441 CA VAL A 120 0.181 1.767 -3.030 1.00 0.32 C ATOM 1442 C VAL A 120 1.301 1.156 -3.867 1.00 0.34 C ATOM 1443 O VAL A 120 1.518 -0.055 -3.836 1.00 0.43 O ATOM 1444 CB VAL A 120 0.146 1.145 -1.851 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.469 1.316 -1.104 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -1.009 1.616 -0.978 1.00 0.62 C ATOM 0 H VAL A 120 -1.163 0.710 -4.219 1.00 0.28 H new ATOM 0 HA VAL A 120 0.350 2.830 -2.856 1.00 0.32 H new ATOM 0 HB VAL A 120 -0.012 0.088 -2.063 1.00 0.38 H new ATOM 0 HG11 VAL A 120 1.415 0.800 -0.146 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.280 0.894 -1.698 1.00 0.56 H new ATOM 0 HG13 VAL A 120 1.657 2.376 -0.935 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -0.991 1.078 -0.030 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -0.911 2.685 -0.790 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -1.953 1.422 -1.488 1.00 0.62 H new ATOM 1456 N PHE A 121 2.008 1.974 -4.626 1.00 0.34 N ATOM 1457 CA PHE A 121 3.115 1.469 -5.406 1.00 0.42 C ATOM 1458 C PHE A 121 4.389 2.239 -5.073 1.00 0.40 C ATOM 1459 O PHE A 121 4.353 3.454 -4.856 1.00 0.49 O ATOM 1460 CB PHE A 121 2.763 1.520 -6.892 1.00 0.61 C ATOM 1461 CG PHE A 121 2.980 2.825 -7.602 1.00 0.49 C ATOM 1462 CD1 PHE A 121 1.941 3.729 -7.754 1.00 0.52 C ATOM 1463 CD2 PHE A 121 4.231 3.159 -8.080 1.00 0.98 C ATOM 1464 CE1 PHE A 121 2.147 4.942 -8.379 1.00 0.96 C ATOM 1465 CE2 PHE A 121 4.445 4.369 -8.709 1.00 1.49 C ATOM 1466 CZ PHE A 121 3.357 5.209 -8.971 1.00 1.45 C ATOM 0 H PHE A 121 1.837 2.975 -4.716 1.00 0.34 H new ATOM 0 HA PHE A 121 3.304 0.426 -5.154 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.347 0.755 -7.404 1.00 0.61 H new ATOM 0 HB3 PHE A 121 1.714 1.246 -7.001 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.959 3.482 -7.379 1.00 0.52 H new ATOM 0 HD2 PHE A 121 5.051 2.466 -7.961 1.00 0.98 H new ATOM 0 HE1 PHE A 121 1.358 5.680 -8.402 1.00 0.96 H new ATOM 0 HE2 PHE A 121 5.443 4.665 -8.996 1.00 1.49 H new ATOM 0 HZ PHE A 121 3.468 6.057 -9.631 1.00 1.45 H new ATOM 1476 N VAL A 122 5.501 1.521 -4.992 1.00 0.49 N ATOM 1477 CA VAL A 122 6.782 2.122 -4.642 1.00 0.61 C ATOM 1478 C VAL A 122 7.749 2.080 -5.810 1.00 0.73 C ATOM 1479 O VAL A 122 7.540 1.357 -6.785 1.00 0.95 O ATOM 1480 CB VAL A 122 7.340 1.540 -3.586 1.00 0.77 C ATOM 1481 CG1 VAL A 122 6.534 1.838 -2.327 1.00 1.61 C ATOM 1482 CG2 VAL A 122 7.495 0.036 -3.783 1.00 1.52 C ATOM 0 H VAL A 122 5.542 0.517 -5.165 1.00 0.49 H new ATOM 0 HA VAL A 122 6.571 3.161 -4.387 1.00 0.61 H new ATOM 0 HB VAL A 122 8.341 1.957 -3.470 1.00 0.77 H new ATOM 0 HG11 VAL A 122 7.004 1.354 -1.471 1.00 1.61 H new ATOM 0 HG12 VAL A 122 6.501 2.915 -2.162 1.00 1.61 H new ATOM 0 HG13 VAL A 122 5.519 1.458 -2.446 1.00 1.61 H new ATOM 0 HG21 VAL A 122 7.955 -0.402 -2.897 1.00 1.52 H new ATOM 0 HG22 VAL A 122 6.515 -0.413 -3.942 1.00 1.52 H new ATOM 0 HG23 VAL A 122 8.126 -0.154 -4.651 1.00 1.52 H new ATOM 1492 N LYS A 123 8.783 2.895 -5.719 1.00 0.76 N ATOM 1493 CA LYS A 123 9.787 2.987 -6.763 1.00 0.97 C ATOM 1494 C LYS A 123 11.119 3.401 -6.146 1.00 1.04 C ATOM 1495 O LYS A 123 11.211 4.450 -5.522 1.00 1.02 O ATOM 1496 CB LYS A 123 9.328 4.010 -7.806 1.00 1.11 C ATOM 1497 CG LYS A 123 10.053 3.934 -9.136 1.00 1.66 C ATOM 1498 CD LYS A 123 9.455 4.921 -10.124 1.00 2.03 C ATOM 1499 CE LYS A 123 10.052 4.775 -11.510 1.00 2.74 C ATOM 1500 NZ LYS A 123 9.484 5.775 -12.453 1.00 3.45 N ATOM 0 H LYS A 123 8.951 3.510 -4.923 1.00 0.76 H new ATOM 0 HA LYS A 123 9.917 2.021 -7.251 1.00 0.97 H new ATOM 0 HB2 LYS A 123 8.261 3.874 -7.982 1.00 1.11 H new ATOM 0 HB3 LYS A 123 9.458 5.011 -7.394 1.00 1.11 H new ATOM 0 HG2 LYS A 123 11.112 4.150 -8.993 1.00 1.66 H new ATOM 0 HG3 LYS A 123 9.985 2.923 -9.537 1.00 1.66 H new ATOM 0 HD2 LYS A 123 8.377 4.772 -10.177 1.00 2.03 H new ATOM 0 HD3 LYS A 123 9.619 5.937 -9.765 1.00 2.03 H new ATOM 0 HE2 LYS A 123 11.134 4.896 -11.457 1.00 2.74 H new ATOM 0 HE3 LYS A 123 9.862 3.770 -11.886 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 9.913 5.649 -13.392 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 8.455 5.642 -12.521 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 9.687 6.734 -12.106 1.00 3.45 H new ATOM 1514 N ARG A 124 12.141 2.570 -6.290 1.00 1.23 N ATOM 1515 CA ARG A 124 13.429 2.851 -5.662 1.00 1.40 C ATOM 1516 C ARG A 124 14.207 3.911 -6.445 1.00 1.63 C ATOM 1517 O ARG A 124 14.935 3.607 -7.392 1.00 1.81 O ATOM 1518 CB ARG A 124 14.254 1.564 -5.489 1.00 1.65 C ATOM 1519 CG ARG A 124 14.509 0.798 -6.779 1.00 1.97 C ATOM 1520 CD ARG A 124 15.288 -0.481 -6.521 1.00 2.31 C ATOM 1521 NE ARG A 124 15.645 -1.152 -7.769 1.00 2.83 N ATOM 1522 CZ ARG A 124 14.928 -2.124 -8.329 1.00 3.38 C ATOM 1523 NH1 ARG A 124 13.802 -2.545 -7.759 1.00 3.50 N ATOM 1524 NH2 ARG A 124 15.336 -2.665 -9.463 1.00 4.23 N ATOM 0 H ARG A 124 12.108 1.705 -6.829 1.00 1.23 H new ATOM 0 HA ARG A 124 13.234 3.254 -4.668 1.00 1.40 H new ATOM 0 HB2 ARG A 124 15.213 1.820 -5.038 1.00 1.65 H new ATOM 0 HB3 ARG A 124 13.737 0.908 -4.788 1.00 1.65 H new ATOM 0 HG2 ARG A 124 13.558 0.557 -7.254 1.00 1.97 H new ATOM 0 HG3 ARG A 124 15.062 1.429 -7.475 1.00 1.97 H new ATOM 0 HD2 ARG A 124 16.193 -0.250 -5.959 1.00 2.31 H new ATOM 0 HD3 ARG A 124 14.692 -1.153 -5.903 1.00 2.31 H new ATOM 0 HE ARG A 124 16.499 -0.856 -8.242 1.00 2.83 H new ATOM 0 HH11 ARG A 124 13.483 -2.123 -6.887 1.00 3.50 H new ATOM 0 HH12 ARG A 124 13.258 -3.290 -8.194 1.00 3.50 H new ATOM 0 HH21 ARG A 124 16.195 -2.338 -9.904 1.00 4.23 H new ATOM 0 HH22 ARG A 124 14.792 -3.410 -9.898 1.00 4.23 H new ATOM 1538 N VAL A 125 14.015 5.165 -6.051 1.00 1.80 N ATOM 1539 CA VAL A 125 14.696 6.295 -6.666 1.00 2.18 C ATOM 1540 C VAL A 125 14.488 7.559 -5.825 1.00 2.76 C ATOM 1541 O VAL A 125 13.371 8.116 -5.807 1.00 3.34 O ATOM 1542 CB VAL A 125 14.331 6.480 -7.944 1.00 2.48 C ATOM 1543 CG1 VAL A 125 12.810 6.528 -8.121 1.00 3.01 C ATOM 1544 CG2 VAL A 125 14.996 7.716 -8.541 1.00 3.14 C ATOM 1545 OXT VAL A 125 15.446 7.967 -5.140 1.00 3.27 O ATOM 0 H VAL A 125 13.382 5.425 -5.295 1.00 1.80 H new ATOM 0 HA VAL A 125 15.762 6.068 -6.689 1.00 2.18 H new ATOM 0 HB VAL A 125 14.684 5.608 -8.496 1.00 2.48 H new ATOM 0 HG11 VAL A 125 12.571 6.679 -9.174 1.00 3.01 H new ATOM 0 HG12 VAL A 125 12.374 5.588 -7.781 1.00 3.01 H new ATOM 0 HG13 VAL A 125 12.401 7.350 -7.534 1.00 3.01 H new ATOM 0 HG21 VAL A 125 14.678 7.836 -9.577 1.00 3.14 H new ATOM 0 HG22 VAL A 125 14.707 8.597 -7.968 1.00 3.14 H new ATOM 0 HG23 VAL A 125 16.079 7.600 -8.505 1.00 3.14 H new TER 1555 VAL A 125 HETATM 1556 C1 HC4 A 169 -7.820 -1.279 12.708 1.00 12.02 C HETATM 1557 O1 HC4 A 169 -7.084 -0.403 13.141 1.00 12.16 O HETATM 1558 C2 HC4 A 169 -9.305 -1.101 12.308 1.00 12.51 C HETATM 1559 C3 HC4 A 169 -10.040 0.033 12.362 1.00 13.15 C HETATM 1560 C1' HC4 A 169 -9.696 1.391 12.804 1.00 13.58 C HETATM 1561 C2' HC4 A 169 -10.681 2.376 12.745 1.00 14.40 C HETATM 1562 C3' HC4 A 169 -10.432 3.678 13.138 1.00 14.99 C HETATM 1563 C4' HC4 A 169 -9.187 4.021 13.605 1.00 14.81 C HETATM 1564 C5' HC4 A 169 -8.193 3.073 13.678 1.00 14.03 C HETATM 1565 C6' HC4 A 169 -8.451 1.774 13.281 1.00 13.40 C HETATM 1566 O4' HC4 A 169 -8.929 5.315 13.996 1.00 15.56 O HETATM 0 HO4' HC4 A 169 -8.001 5.385 14.302 1.00 15.56 H new HETATM 0 H6' HC4 A 169 -7.655 1.032 13.344 1.00 13.40 H new HETATM 0 H5' HC4 A 169 -7.204 3.345 14.048 1.00 14.03 H new HETATM 0 H3' HC4 A 169 -11.220 4.429 13.077 1.00 14.99 H new HETATM 0 H3 HC4 A 169 -11.068 -0.081 12.017 1.00 13.15 H new HETATM 0 H2' HC4 A 169 -11.674 2.113 12.379 1.00 14.40 H new HETATM 0 H2 HC4 A 169 -9.816 -1.991 11.941 1.00 12.51 H new