USER MOD reduce.3.24.130724 H: found=0, std=0, add=1095, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 857 hydrogens (66 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 102 THR OG1 : rot 100:sc= -0.287 USER MOD Set 1.2: A 111 ASN : amide:sc= -1.2 K(o=-1.5,f=-6.5!) USER MOD Set 1.3: A 113 MET CE :methyl -147:sc= 0 (180deg=0) USER MOD Set 2.1: A 89 ASN : amide:sc= -1.92 K(o=-3.5,f=-0.33) USER MOD Set 2.2: A 105 ASN : amide:sc= -1.58! K(o=-3.5!,f=-0.33) USER MOD Set 3.1: A 73 THR OG1 : rot -77:sc= 1.43 USER MOD Set 3.2: A 75 THR OG1 : rot -39:sc= 0.358 USER MOD Set 4.1: A 39 SER OG : rot -15:sc= 0.79 USER MOD Set 4.2: A 129 OLA O2 : rot -100:sc= -0.59 USER MOD Set 5.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 128 OLA O2 : rot 30:sc= 0 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.161 (180deg=-0.642) USER MOD Single : A 1 MET N :NH3+ -148:sc= 0.0352 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.1) USER MOD Single : A 4 SER OG : rot 47:sc= 1.04 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -6.15! K(o=-6.1!,f=-0.1) USER MOD Single : A 10 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.49) USER MOD Single : A 11 SER OG : rot 180:sc= -0.118 USER MOD Single : A 12 GLN : amide:sc= -8.74! K(o=-8.7!,f=-5.1) USER MOD Single : A 14 ASN : amide:sc= -0.22 K(o=-0.22,f=-2.8!) USER MOD Single : A 19 MET CE :methyl -178:sc= -4.56! (180deg=-4.61!) USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= -0.021 (180deg=-0.2) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.508 X(o=-0.51,f=-0.14) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -123:sc= -2.83! (180deg=-4.49!) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -112:sc= -0.966 (180deg=-1.18) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= -0.0861 (180deg=-0.525) USER MOD Single : A 60 HIS : no HD1:sc= -0.0243 X(o=-0.024,f=-0.29) USER MOD Single : A 61 ASN : amide:sc= -0.653 K(o=-0.65,f=-1.9) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 180:sc= -0.428 USER MOD Single : A 74 MET CE :methyl 163:sc= -0.128 (180deg=-0.611) USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= -0.0849 (180deg=-0.367) USER MOD Single : A 80 LYS NZ :NH3+ -151:sc= -2! (180deg=-3.52!) USER MOD Single : A 84 LYS NZ :NH3+ 135:sc= -0.0755 (180deg=-0.337) USER MOD Single : A 85 MET CE :methyl 175:sc= -0.201 (180deg=-0.215) USER MOD Single : A 90 LYS NZ :NH3+ -106:sc= -0.416 (180deg=-2.82!) USER MOD Single : A 91 MET CE :methyl -174:sc= -0.958 (180deg=-1.2) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0148 USER MOD Single : A 94 THR OG1 : rot 25:sc= 0.342 USER MOD Single : A 96 LYS NZ :NH3+ 143:sc= -1.72! (180deg=-2.71!) USER MOD Single : A 99 LYS NZ :NH3+ -168:sc= -0.0567 (180deg=-0.308) USER MOD Single : A 100 SER OG : rot 60:sc= -1.03 USER MOD Single : A 108 THR OG1 : rot 76:sc= 0.752 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 75:sc= 0.295 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 149:sc= 0.354 (180deg=0.0685) USER MOD Single : A 124 SER OG : rot -57:sc= -0.702 USER MOD Single : A 125 LYS NZ :NH3+ -173:sc= -0.818 (180deg=-1.01) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.731 13.054 -2.547 1.00 4.30 N ATOM 2 CA MET A 1 17.090 12.369 -3.816 1.00 3.84 C ATOM 3 C MET A 1 16.297 11.077 -3.980 1.00 2.89 C ATOM 4 O MET A 1 15.617 10.878 -4.987 1.00 2.87 O ATOM 5 CB MET A 1 18.589 12.063 -3.845 1.00 4.46 C ATOM 6 CG MET A 1 19.065 11.485 -5.169 1.00 5.10 C ATOM 7 SD MET A 1 20.805 11.011 -5.136 1.00 6.04 S ATOM 8 CE MET A 1 21.579 12.579 -4.752 1.00 6.91 C ATOM 0 H1 MET A 1 16.812 14.083 -2.673 1.00 4.30 H new ATOM 0 H2 MET A 1 15.753 12.813 -2.287 1.00 4.30 H new ATOM 0 H3 MET A 1 17.376 12.746 -1.792 1.00 4.30 H new ATOM 0 HA MET A 1 16.842 13.035 -4.642 1.00 3.84 H new ATOM 0 HB2 MET A 1 19.143 12.979 -3.637 1.00 4.46 H new ATOM 0 HB3 MET A 1 18.824 11.360 -3.046 1.00 4.46 H new ATOM 0 HG2 MET A 1 18.460 10.613 -5.419 1.00 5.10 H new ATOM 0 HG3 MET A 1 18.908 12.219 -5.959 1.00 5.10 H new ATOM 0 HE1 MET A 1 22.638 12.534 -5.007 1.00 6.91 H new ATOM 0 HE2 MET A 1 21.101 13.371 -5.328 1.00 6.91 H new ATOM 0 HE3 MET A 1 21.470 12.787 -3.688 1.00 6.91 H new ATOM 20 N ASN A 2 16.389 10.200 -2.984 1.00 2.46 N ATOM 21 CA ASN A 2 15.681 8.924 -3.021 1.00 1.86 C ATOM 22 C ASN A 2 14.246 9.077 -2.525 1.00 1.11 C ATOM 23 O ASN A 2 13.992 9.101 -1.321 1.00 1.62 O ATOM 24 CB ASN A 2 16.423 7.877 -2.186 1.00 2.52 C ATOM 25 CG ASN A 2 16.798 8.386 -0.807 1.00 2.76 C ATOM 26 OD1 ASN A 2 17.844 9.008 -0.625 1.00 3.46 O ATOM 27 ND2 ASN A 2 15.944 8.118 0.174 1.00 2.73 N ATOM 0 H ASN A 2 16.946 10.349 -2.143 1.00 2.46 H new ATOM 0 HA ASN A 2 15.647 8.588 -4.057 1.00 1.86 H new ATOM 0 HB2 ASN A 2 15.798 6.990 -2.084 1.00 2.52 H new ATOM 0 HB3 ASN A 2 17.326 7.571 -2.714 1.00 2.52 H new ATOM 0 HD21 ASN A 2 16.144 8.431 1.124 1.00 2.73 H new ATOM 0 HD22 ASN A 2 15.088 7.599 -0.022 1.00 2.73 H new ATOM 32 N PHE A 3 13.311 9.187 -3.466 1.00 0.84 N ATOM 33 CA PHE A 3 11.900 9.336 -3.132 1.00 1.21 C ATOM 34 C PHE A 3 11.016 8.661 -4.175 1.00 1.09 C ATOM 35 O PHE A 3 10.071 7.949 -3.836 1.00 1.86 O ATOM 36 CB PHE A 3 11.529 10.816 -3.020 1.00 2.02 C ATOM 37 CG PHE A 3 12.023 11.467 -1.759 1.00 2.36 C ATOM 38 CD1 PHE A 3 11.314 11.344 -0.575 1.00 2.57 C ATOM 39 CD2 PHE A 3 13.198 12.203 -1.761 1.00 2.79 C ATOM 40 CE1 PHE A 3 11.768 11.941 0.584 1.00 3.08 C ATOM 41 CE2 PHE A 3 13.656 12.803 -0.604 1.00 3.29 C ATOM 42 CZ PHE A 3 12.935 12.670 0.573 1.00 3.40 C ATOM 0 H PHE A 3 13.507 9.176 -4.467 1.00 0.84 H new ATOM 0 HA PHE A 3 11.733 8.852 -2.170 1.00 1.21 H new ATOM 0 HB2 PHE A 3 11.937 11.350 -3.878 1.00 2.02 H new ATOM 0 HB3 PHE A 3 10.445 10.915 -3.069 1.00 2.02 H new ATOM 0 HD1 PHE A 3 10.396 10.775 -0.559 1.00 2.57 H new ATOM 0 HD2 PHE A 3 13.761 12.308 -2.677 1.00 2.79 H new ATOM 0 HE1 PHE A 3 11.207 11.836 1.501 1.00 3.08 H new ATOM 0 HE2 PHE A 3 14.573 13.374 -0.616 1.00 3.29 H new ATOM 0 HZ PHE A 3 13.289 13.138 1.480 1.00 3.40 H new ATOM 52 N SER A 4 11.329 8.892 -5.448 1.00 0.64 N ATOM 53 CA SER A 4 10.560 8.309 -6.542 1.00 0.56 C ATOM 54 C SER A 4 11.300 7.133 -7.169 1.00 0.52 C ATOM 55 O SER A 4 12.481 7.236 -7.500 1.00 0.75 O ATOM 56 CB SER A 4 10.265 9.368 -7.606 1.00 0.69 C ATOM 57 OG SER A 4 9.536 8.814 -8.687 1.00 1.53 O ATOM 0 H SER A 4 12.109 9.478 -5.746 1.00 0.64 H new ATOM 0 HA SER A 4 9.619 7.941 -6.132 1.00 0.56 H new ATOM 0 HB2 SER A 4 9.698 10.186 -7.162 1.00 0.69 H new ATOM 0 HB3 SER A 4 11.201 9.791 -7.973 1.00 0.69 H new ATOM 0 HG SER A 4 8.796 8.273 -8.340 1.00 1.53 H new ATOM 63 N GLY A 5 10.595 6.016 -7.329 1.00 0.43 N ATOM 64 CA GLY A 5 11.200 4.836 -7.921 1.00 0.45 C ATOM 65 C GLY A 5 10.179 3.761 -8.239 1.00 0.40 C ATOM 66 O GLY A 5 8.992 3.920 -7.951 1.00 0.54 O ATOM 0 H GLY A 5 9.617 5.907 -7.060 1.00 0.43 H new ATOM 0 HA2 GLY A 5 11.723 5.119 -8.835 1.00 0.45 H new ATOM 0 HA3 GLY A 5 11.948 4.433 -7.238 1.00 0.45 H new ATOM 70 N LYS A 6 10.639 2.664 -8.834 1.00 0.36 N ATOM 71 CA LYS A 6 9.755 1.559 -9.187 1.00 0.35 C ATOM 72 C LYS A 6 10.177 0.279 -8.474 1.00 0.30 C ATOM 73 O LYS A 6 11.320 -0.161 -8.594 1.00 0.36 O ATOM 74 CB LYS A 6 9.754 1.335 -10.701 1.00 0.47 C ATOM 75 CG LYS A 6 8.613 0.452 -11.183 1.00 1.02 C ATOM 76 CD LYS A 6 8.844 -0.029 -12.606 1.00 1.43 C ATOM 77 CE LYS A 6 7.690 -0.889 -13.095 1.00 1.75 C ATOM 78 NZ LYS A 6 7.886 -1.333 -14.503 1.00 2.38 N ATOM 0 H LYS A 6 11.618 2.517 -9.081 1.00 0.36 H new ATOM 0 HA LYS A 6 8.746 1.820 -8.867 1.00 0.35 H new ATOM 0 HB2 LYS A 6 9.693 2.301 -11.203 1.00 0.47 H new ATOM 0 HB3 LYS A 6 10.702 0.883 -10.994 1.00 0.47 H new ATOM 0 HG2 LYS A 6 8.511 -0.407 -10.520 1.00 1.02 H new ATOM 0 HG3 LYS A 6 7.676 1.007 -11.133 1.00 1.02 H new ATOM 0 HD2 LYS A 6 8.965 0.829 -13.267 1.00 1.43 H new ATOM 0 HD3 LYS A 6 9.771 -0.601 -12.653 1.00 1.43 H new ATOM 0 HE2 LYS A 6 7.589 -1.762 -12.450 1.00 1.75 H new ATOM 0 HE3 LYS A 6 6.760 -0.326 -13.018 1.00 1.75 H new ATOM 0 HZ1 LYS A 6 7.078 -1.917 -14.799 1.00 2.38 H new ATOM 0 HZ2 LYS A 6 7.957 -0.501 -15.123 1.00 2.38 H new ATOM 0 HZ3 LYS A 6 8.760 -1.892 -14.572 1.00 2.38 H new ATOM 92 N TYR A 7 9.247 -0.312 -7.734 1.00 0.30 N ATOM 93 CA TYR A 7 9.515 -1.542 -7.000 1.00 0.29 C ATOM 94 C TYR A 7 8.488 -2.613 -7.360 1.00 0.30 C ATOM 95 O TYR A 7 7.326 -2.303 -7.627 1.00 0.42 O ATOM 96 CB TYR A 7 9.502 -1.260 -5.498 1.00 0.34 C ATOM 97 CG TYR A 7 10.390 -0.099 -5.108 1.00 0.49 C ATOM 98 CD1 TYR A 7 11.737 -0.293 -4.830 1.00 0.70 C ATOM 99 CD2 TYR A 7 9.883 1.192 -5.025 1.00 0.77 C ATOM 100 CE1 TYR A 7 12.554 0.766 -4.481 1.00 0.89 C ATOM 101 CE2 TYR A 7 10.694 2.258 -4.680 1.00 0.93 C ATOM 102 CZ TYR A 7 12.027 2.039 -4.408 1.00 0.91 C ATOM 103 OH TYR A 7 12.838 3.097 -4.062 1.00 1.13 O ATOM 0 H TYR A 7 8.297 0.043 -7.626 1.00 0.30 H new ATOM 0 HA TYR A 7 10.501 -1.915 -7.277 1.00 0.29 H new ATOM 0 HB2 TYR A 7 8.480 -1.051 -5.182 1.00 0.34 H new ATOM 0 HB3 TYR A 7 9.825 -2.153 -4.963 1.00 0.34 H new ATOM 0 HD1 TYR A 7 12.153 -1.288 -4.887 1.00 0.70 H new ATOM 0 HD2 TYR A 7 8.838 1.366 -5.233 1.00 0.77 H new ATOM 0 HE1 TYR A 7 13.599 0.598 -4.267 1.00 0.89 H new ATOM 0 HE2 TYR A 7 10.285 3.256 -4.624 1.00 0.93 H new ATOM 0 HH TYR A 7 12.313 3.924 -4.058 1.00 1.13 H new ATOM 113 N GLN A 8 8.920 -3.870 -7.368 1.00 0.31 N ATOM 114 CA GLN A 8 8.039 -4.978 -7.718 1.00 0.35 C ATOM 115 C GLN A 8 7.854 -5.939 -6.549 1.00 0.35 C ATOM 116 O GLN A 8 8.826 -6.403 -5.955 1.00 0.38 O ATOM 117 CB GLN A 8 8.608 -5.738 -8.919 1.00 0.44 C ATOM 118 CG GLN A 8 7.750 -6.910 -9.374 1.00 0.41 C ATOM 119 CD GLN A 8 6.627 -6.497 -10.313 1.00 0.92 C ATOM 120 OE1 GLN A 8 6.194 -7.283 -11.157 1.00 1.39 O ATOM 121 NE2 GLN A 8 6.154 -5.263 -10.178 1.00 1.23 N ATOM 0 H GLN A 8 9.874 -4.146 -7.136 1.00 0.31 H new ATOM 0 HA GLN A 8 7.065 -4.560 -7.971 1.00 0.35 H new ATOM 0 HB2 GLN A 8 8.728 -5.044 -9.751 1.00 0.44 H new ATOM 0 HB3 GLN A 8 9.602 -6.106 -8.665 1.00 0.44 H new ATOM 0 HG2 GLN A 8 8.383 -7.643 -9.874 1.00 0.41 H new ATOM 0 HG3 GLN A 8 7.323 -7.401 -8.500 1.00 0.41 H new ATOM 0 HE21 GLN A 8 6.541 -4.644 -9.466 1.00 1.23 H new ATOM 0 HE22 GLN A 8 5.404 -4.935 -10.786 1.00 1.23 H new ATOM 128 N VAL A 9 6.599 -6.239 -6.233 1.00 0.40 N ATOM 129 CA VAL A 9 6.283 -7.159 -5.149 1.00 0.45 C ATOM 130 C VAL A 9 6.683 -8.578 -5.537 1.00 0.52 C ATOM 131 O VAL A 9 6.274 -9.081 -6.583 1.00 0.67 O ATOM 132 CB VAL A 9 4.781 -7.132 -4.815 1.00 0.56 C ATOM 133 CG1 VAL A 9 4.473 -8.053 -3.646 1.00 1.18 C ATOM 134 CG2 VAL A 9 4.328 -5.710 -4.521 1.00 1.24 C ATOM 0 H VAL A 9 5.784 -5.858 -6.713 1.00 0.40 H new ATOM 0 HA VAL A 9 6.842 -6.842 -4.269 1.00 0.45 H new ATOM 0 HB VAL A 9 4.228 -7.494 -5.682 1.00 0.56 H new ATOM 0 HG11 VAL A 9 3.406 -8.018 -3.427 1.00 1.18 H new ATOM 0 HG12 VAL A 9 4.758 -9.073 -3.902 1.00 1.18 H new ATOM 0 HG13 VAL A 9 5.034 -7.729 -2.770 1.00 1.18 H new ATOM 0 HG21 VAL A 9 3.263 -5.708 -4.287 1.00 1.24 H new ATOM 0 HG22 VAL A 9 4.887 -5.318 -3.671 1.00 1.24 H new ATOM 0 HG23 VAL A 9 4.508 -5.083 -5.394 1.00 1.24 H new ATOM 138 N GLN A 10 7.482 -9.221 -4.693 1.00 0.50 N ATOM 139 CA GLN A 10 7.946 -10.571 -4.967 1.00 0.61 C ATOM 140 C GLN A 10 7.155 -11.613 -4.182 1.00 0.72 C ATOM 141 O GLN A 10 6.872 -12.698 -4.694 1.00 1.01 O ATOM 142 CB GLN A 10 9.433 -10.685 -4.636 1.00 0.71 C ATOM 143 CG GLN A 10 10.321 -9.812 -5.508 1.00 0.90 C ATOM 144 CD GLN A 10 11.794 -9.979 -5.189 1.00 1.52 C ATOM 145 OE1 GLN A 10 12.343 -9.268 -4.347 1.00 2.20 O ATOM 146 NE2 GLN A 10 12.442 -10.920 -5.865 1.00 2.11 N ATOM 0 H GLN A 10 7.820 -8.828 -3.815 1.00 0.50 H new ATOM 0 HA GLN A 10 7.790 -10.768 -6.028 1.00 0.61 H new ATOM 0 HB2 GLN A 10 9.586 -10.414 -3.591 1.00 0.71 H new ATOM 0 HB3 GLN A 10 9.742 -11.725 -4.744 1.00 0.71 H new ATOM 0 HG2 GLN A 10 10.150 -10.058 -6.556 1.00 0.90 H new ATOM 0 HG3 GLN A 10 10.040 -8.767 -5.375 1.00 0.90 H new ATOM 0 HE21 GLN A 10 11.946 -11.486 -6.554 1.00 2.11 H new ATOM 0 HE22 GLN A 10 13.435 -11.077 -5.696 1.00 2.11 H new ATOM 153 N SER A 11 6.797 -11.287 -2.943 1.00 0.56 N ATOM 154 CA SER A 11 6.045 -12.219 -2.105 1.00 0.70 C ATOM 155 C SER A 11 5.457 -11.526 -0.879 1.00 0.54 C ATOM 156 O SER A 11 5.883 -10.434 -0.499 1.00 0.54 O ATOM 157 CB SER A 11 6.945 -13.373 -1.662 1.00 0.97 C ATOM 158 OG SER A 11 6.245 -14.276 -0.825 1.00 1.72 O ATOM 0 H SER A 11 7.012 -10.394 -2.500 1.00 0.56 H new ATOM 0 HA SER A 11 5.220 -12.606 -2.703 1.00 0.70 H new ATOM 0 HB2 SER A 11 7.321 -13.902 -2.538 1.00 0.97 H new ATOM 0 HB3 SER A 11 7.812 -12.979 -1.132 1.00 0.97 H new ATOM 0 HG SER A 11 6.843 -15.005 -0.558 1.00 1.72 H new ATOM 164 N GLN A 12 4.473 -12.178 -0.261 1.00 0.56 N ATOM 165 CA GLN A 12 3.817 -11.644 0.928 1.00 0.50 C ATOM 166 C GLN A 12 3.432 -12.777 1.876 1.00 0.46 C ATOM 167 O GLN A 12 2.863 -13.783 1.451 1.00 0.59 O ATOM 168 CB GLN A 12 2.572 -10.846 0.528 1.00 0.70 C ATOM 169 CG GLN A 12 2.136 -9.821 1.564 1.00 0.85 C ATOM 170 CD GLN A 12 1.595 -10.456 2.832 1.00 0.99 C ATOM 171 OE1 GLN A 12 0.992 -11.530 2.795 1.00 2.01 O ATOM 172 NE2 GLN A 12 1.812 -9.794 3.964 1.00 0.82 N ATOM 0 H GLN A 12 4.112 -13.082 -0.567 1.00 0.56 H new ATOM 0 HA GLN A 12 4.512 -10.980 1.442 1.00 0.50 H new ATOM 0 HB2 GLN A 12 2.768 -10.334 -0.414 1.00 0.70 H new ATOM 0 HB3 GLN A 12 1.750 -11.539 0.349 1.00 0.70 H new ATOM 0 HG2 GLN A 12 2.983 -9.184 1.816 1.00 0.85 H new ATOM 0 HG3 GLN A 12 1.370 -9.177 1.131 1.00 0.85 H new ATOM 0 HE21 GLN A 12 2.316 -8.908 3.948 1.00 0.82 H new ATOM 0 HE22 GLN A 12 1.474 -10.173 4.849 1.00 0.82 H new ATOM 179 N GLU A 13 3.748 -12.614 3.159 1.00 0.47 N ATOM 180 CA GLU A 13 3.432 -13.634 4.156 1.00 0.52 C ATOM 181 C GLU A 13 2.106 -13.333 4.845 1.00 0.45 C ATOM 182 O GLU A 13 1.847 -12.196 5.240 1.00 0.47 O ATOM 183 CB GLU A 13 4.548 -13.735 5.198 1.00 0.71 C ATOM 184 CG GLU A 13 5.903 -14.095 4.608 1.00 1.16 C ATOM 185 CD GLU A 13 6.952 -14.353 5.672 1.00 1.72 C ATOM 186 OE1 GLU A 13 7.591 -13.380 6.127 1.00 2.07 O ATOM 187 OE2 GLU A 13 7.135 -15.528 6.054 1.00 2.39 O ATOM 0 H GLU A 13 4.220 -11.790 3.531 1.00 0.47 H new ATOM 0 HA GLU A 13 3.345 -14.589 3.638 1.00 0.52 H new ATOM 0 HB2 GLU A 13 4.631 -12.783 5.722 1.00 0.71 H new ATOM 0 HB3 GLU A 13 4.274 -14.485 5.940 1.00 0.71 H new ATOM 0 HG2 GLU A 13 5.799 -14.982 3.983 1.00 1.16 H new ATOM 0 HG3 GLU A 13 6.240 -13.286 3.960 1.00 1.16 H new ATOM 194 N ASN A 14 1.273 -14.362 4.986 1.00 0.47 N ATOM 195 CA ASN A 14 -0.032 -14.221 5.624 1.00 0.52 C ATOM 196 C ASN A 14 -0.925 -13.267 4.836 1.00 0.56 C ATOM 197 O ASN A 14 -0.794 -12.048 4.941 1.00 0.92 O ATOM 198 CB ASN A 14 0.123 -13.727 7.065 1.00 0.62 C ATOM 199 CG ASN A 14 0.838 -14.732 7.947 1.00 1.26 C ATOM 200 OD1 ASN A 14 1.692 -15.488 7.482 1.00 1.88 O ATOM 201 ND2 ASN A 14 0.491 -14.746 9.228 1.00 1.78 N ATOM 0 H ASN A 14 1.481 -15.307 4.665 1.00 0.47 H new ATOM 0 HA ASN A 14 -0.505 -15.203 5.638 1.00 0.52 H new ATOM 0 HB2 ASN A 14 0.676 -12.788 7.067 1.00 0.62 H new ATOM 0 HB3 ASN A 14 -0.862 -13.517 7.482 1.00 0.62 H new ATOM 0 HD21 ASN A 14 0.937 -15.401 9.870 1.00 1.78 H new ATOM 0 HD22 ASN A 14 -0.222 -14.102 9.570 1.00 1.78 H new ATOM 206 N PHE A 15 -1.829 -13.835 4.046 1.00 0.52 N ATOM 207 CA PHE A 15 -2.742 -13.041 3.233 1.00 0.59 C ATOM 208 C PHE A 15 -4.195 -13.371 3.557 1.00 0.59 C ATOM 209 O PHE A 15 -4.978 -12.490 3.895 1.00 0.66 O ATOM 210 CB PHE A 15 -2.474 -13.292 1.747 1.00 0.73 C ATOM 211 CG PHE A 15 -2.320 -12.036 0.937 1.00 1.40 C ATOM 212 CD1 PHE A 15 -3.420 -11.244 0.651 1.00 1.85 C ATOM 213 CD2 PHE A 15 -1.078 -11.647 0.464 1.00 2.40 C ATOM 214 CE1 PHE A 15 -3.284 -10.088 -0.092 1.00 2.66 C ATOM 215 CE2 PHE A 15 -0.935 -10.491 -0.280 1.00 3.26 C ATOM 216 CZ PHE A 15 -2.032 -9.716 -0.567 1.00 3.24 C ATOM 0 H PHE A 15 -1.949 -14.843 3.951 1.00 0.52 H new ATOM 0 HA PHE A 15 -2.570 -11.989 3.461 1.00 0.59 H new ATOM 0 HB2 PHE A 15 -1.569 -13.891 1.647 1.00 0.73 H new ATOM 0 HB3 PHE A 15 -3.293 -13.881 1.334 1.00 0.73 H new ATOM 0 HD1 PHE A 15 -4.395 -11.534 1.013 1.00 1.85 H new ATOM 0 HD2 PHE A 15 -0.211 -12.254 0.679 1.00 2.40 H new ATOM 0 HE1 PHE A 15 -4.148 -9.475 -0.303 1.00 2.66 H new ATOM 0 HE2 PHE A 15 0.041 -10.197 -0.636 1.00 3.26 H new ATOM 0 HZ PHE A 15 -1.922 -8.820 -1.160 1.00 3.24 H new ATOM 226 N GLU A 16 -4.538 -14.654 3.457 1.00 0.65 N ATOM 227 CA GLU A 16 -5.896 -15.127 3.724 1.00 0.72 C ATOM 228 C GLU A 16 -6.464 -14.595 5.051 1.00 0.62 C ATOM 229 O GLU A 16 -7.591 -14.105 5.083 1.00 0.68 O ATOM 230 CB GLU A 16 -5.927 -16.658 3.728 1.00 0.86 C ATOM 231 CG GLU A 16 -5.564 -17.279 2.389 1.00 1.03 C ATOM 232 CD GLU A 16 -5.485 -18.792 2.450 1.00 1.53 C ATOM 233 OE1 GLU A 16 -6.546 -19.445 2.355 1.00 1.92 O ATOM 234 OE2 GLU A 16 -4.365 -19.324 2.591 1.00 1.96 O ATOM 0 H GLU A 16 -3.886 -15.392 3.190 1.00 0.65 H new ATOM 0 HA GLU A 16 -6.527 -14.740 2.924 1.00 0.72 H new ATOM 0 HB2 GLU A 16 -5.237 -17.025 4.488 1.00 0.86 H new ATOM 0 HB3 GLU A 16 -6.924 -16.992 4.015 1.00 0.86 H new ATOM 0 HG2 GLU A 16 -6.305 -16.987 1.645 1.00 1.03 H new ATOM 0 HG3 GLU A 16 -4.605 -16.882 2.057 1.00 1.03 H new ATOM 241 N PRO A 17 -5.715 -14.684 6.170 1.00 0.54 N ATOM 242 CA PRO A 17 -6.210 -14.213 7.471 1.00 0.52 C ATOM 243 C PRO A 17 -6.403 -12.698 7.532 1.00 0.45 C ATOM 244 O PRO A 17 -7.386 -12.216 8.090 1.00 0.50 O ATOM 245 CB PRO A 17 -5.119 -14.652 8.452 1.00 0.59 C ATOM 246 CG PRO A 17 -3.889 -14.782 7.623 1.00 0.72 C ATOM 247 CD PRO A 17 -4.351 -15.241 6.269 1.00 0.59 C ATOM 0 HA PRO A 17 -7.196 -14.623 7.690 1.00 0.52 H new ATOM 0 HB2 PRO A 17 -4.984 -13.919 9.247 1.00 0.59 H new ATOM 0 HB3 PRO A 17 -5.375 -15.597 8.930 1.00 0.59 H new ATOM 0 HG2 PRO A 17 -3.362 -13.830 7.554 1.00 0.72 H new ATOM 0 HG3 PRO A 17 -3.196 -15.499 8.063 1.00 0.72 H new ATOM 0 HD2 PRO A 17 -3.705 -14.867 5.475 1.00 0.59 H new ATOM 0 HD3 PRO A 17 -4.354 -16.328 6.192 1.00 0.59 H new ATOM 255 N PHE A 18 -5.467 -11.952 6.955 1.00 0.44 N ATOM 256 CA PHE A 18 -5.539 -10.493 6.953 1.00 0.54 C ATOM 257 C PHE A 18 -6.687 -9.994 6.074 1.00 0.62 C ATOM 258 O PHE A 18 -7.496 -9.168 6.498 1.00 0.68 O ATOM 259 CB PHE A 18 -4.213 -9.906 6.463 1.00 0.65 C ATOM 260 CG PHE A 18 -4.201 -8.404 6.384 1.00 0.90 C ATOM 261 CD1 PHE A 18 -3.966 -7.641 7.517 1.00 1.08 C ATOM 262 CD2 PHE A 18 -4.428 -7.758 5.179 1.00 1.08 C ATOM 263 CE1 PHE A 18 -3.956 -6.261 7.449 1.00 1.36 C ATOM 264 CE2 PHE A 18 -4.419 -6.378 5.106 1.00 1.35 C ATOM 265 CZ PHE A 18 -4.178 -5.628 6.232 1.00 1.46 C ATOM 0 H PHE A 18 -4.648 -12.333 6.482 1.00 0.44 H new ATOM 0 HA PHE A 18 -5.728 -10.163 7.974 1.00 0.54 H new ATOM 0 HB2 PHE A 18 -3.415 -10.231 7.131 1.00 0.65 H new ATOM 0 HB3 PHE A 18 -3.989 -10.313 5.477 1.00 0.65 H new ATOM 0 HD1 PHE A 18 -3.789 -8.130 8.463 1.00 1.08 H new ATOM 0 HD2 PHE A 18 -4.614 -8.339 4.288 1.00 1.08 H new ATOM 0 HE1 PHE A 18 -3.776 -5.676 8.339 1.00 1.36 H new ATOM 0 HE2 PHE A 18 -4.602 -5.888 4.161 1.00 1.35 H new ATOM 0 HZ PHE A 18 -4.161 -4.550 6.171 1.00 1.46 H new ATOM 275 N MET A 19 -6.744 -10.505 4.852 1.00 0.68 N ATOM 276 CA MET A 19 -7.773 -10.120 3.891 1.00 0.83 C ATOM 277 C MET A 19 -9.173 -10.461 4.385 1.00 0.81 C ATOM 278 O MET A 19 -10.092 -9.649 4.283 1.00 0.90 O ATOM 279 CB MET A 19 -7.514 -10.820 2.556 1.00 0.96 C ATOM 280 CG MET A 19 -7.608 -12.339 2.629 1.00 1.91 C ATOM 281 SD MET A 19 -9.299 -12.951 2.440 1.00 3.37 S ATOM 282 CE MET A 19 -9.040 -14.722 2.459 1.00 4.48 C ATOM 0 H MET A 19 -6.082 -11.196 4.498 1.00 0.68 H new ATOM 0 HA MET A 19 -7.722 -9.038 3.765 1.00 0.83 H new ATOM 0 HB2 MET A 19 -8.231 -10.456 1.820 1.00 0.96 H new ATOM 0 HB3 MET A 19 -6.522 -10.544 2.198 1.00 0.96 H new ATOM 0 HG2 MET A 19 -6.981 -12.774 1.851 1.00 1.91 H new ATOM 0 HG3 MET A 19 -7.210 -12.677 3.586 1.00 1.91 H new ATOM 0 HE1 MET A 19 -9.993 -15.231 2.315 1.00 4.48 H new ATOM 0 HE2 MET A 19 -8.357 -14.998 1.656 1.00 4.48 H new ATOM 0 HE3 MET A 19 -8.612 -15.017 3.417 1.00 4.48 H new ATOM 292 N LYS A 20 -9.332 -11.665 4.919 1.00 0.73 N ATOM 293 CA LYS A 20 -10.625 -12.122 5.399 1.00 0.79 C ATOM 294 C LYS A 20 -11.043 -11.382 6.665 1.00 0.72 C ATOM 295 O LYS A 20 -12.215 -11.049 6.838 1.00 0.79 O ATOM 296 CB LYS A 20 -10.586 -13.629 5.639 1.00 0.85 C ATOM 297 CG LYS A 20 -11.800 -14.359 5.095 1.00 1.02 C ATOM 298 CD LYS A 20 -11.757 -15.842 5.423 1.00 1.37 C ATOM 299 CE LYS A 20 -12.924 -16.582 4.794 1.00 1.63 C ATOM 300 NZ LYS A 20 -14.234 -16.064 5.280 1.00 2.27 N ATOM 0 H LYS A 20 -8.578 -12.343 5.030 1.00 0.73 H new ATOM 0 HA LYS A 20 -11.371 -11.904 4.635 1.00 0.79 H new ATOM 0 HB2 LYS A 20 -9.688 -14.039 5.178 1.00 0.85 H new ATOM 0 HB3 LYS A 20 -10.508 -13.817 6.710 1.00 0.85 H new ATOM 0 HG2 LYS A 20 -12.706 -13.920 5.513 1.00 1.02 H new ATOM 0 HG3 LYS A 20 -11.850 -14.227 4.014 1.00 1.02 H new ATOM 0 HD2 LYS A 20 -10.819 -16.268 5.066 1.00 1.37 H new ATOM 0 HD3 LYS A 20 -11.778 -15.978 6.504 1.00 1.37 H new ATOM 0 HE2 LYS A 20 -12.874 -16.484 3.710 1.00 1.63 H new ATOM 0 HE3 LYS A 20 -12.846 -17.645 5.022 1.00 1.63 H new ATOM 0 HZ1 LYS A 20 -14.995 -16.706 4.979 1.00 2.27 H new ATOM 0 HZ2 LYS A 20 -14.221 -16.006 6.318 1.00 2.27 H new ATOM 0 HZ3 LYS A 20 -14.402 -15.118 4.883 1.00 2.27 H new ATOM 314 N ALA A 21 -10.082 -11.128 7.548 1.00 0.64 N ATOM 315 CA ALA A 21 -10.362 -10.411 8.786 1.00 0.64 C ATOM 316 C ALA A 21 -10.804 -8.983 8.488 1.00 0.65 C ATOM 317 O ALA A 21 -11.292 -8.272 9.367 1.00 0.85 O ATOM 318 CB ALA A 21 -9.143 -10.413 9.695 1.00 0.67 C ATOM 0 H ALA A 21 -9.108 -11.407 7.430 1.00 0.64 H new ATOM 0 HA ALA A 21 -11.174 -10.923 9.302 1.00 0.64 H new ATOM 0 HB1 ALA A 21 -9.373 -9.873 10.613 1.00 0.67 H new ATOM 0 HB2 ALA A 21 -8.871 -11.440 9.937 1.00 0.67 H new ATOM 0 HB3 ALA A 21 -8.310 -9.927 9.187 1.00 0.67 H new ATOM 324 N MET A 22 -10.621 -8.572 7.235 1.00 0.66 N ATOM 325 CA MET A 22 -10.997 -7.233 6.798 1.00 0.72 C ATOM 326 C MET A 22 -12.322 -7.266 6.041 1.00 0.74 C ATOM 327 O MET A 22 -13.339 -6.771 6.528 1.00 0.90 O ATOM 328 CB MET A 22 -9.899 -6.645 5.907 1.00 0.75 C ATOM 329 CG MET A 22 -10.261 -5.304 5.291 1.00 0.88 C ATOM 330 SD MET A 22 -10.420 -3.995 6.519 1.00 1.45 S ATOM 331 CE MET A 22 -10.823 -2.599 5.472 1.00 2.05 C ATOM 0 H MET A 22 -10.212 -9.152 6.502 1.00 0.66 H new ATOM 0 HA MET A 22 -11.118 -6.603 7.679 1.00 0.72 H new ATOM 0 HB2 MET A 22 -8.989 -6.530 6.496 1.00 0.75 H new ATOM 0 HB3 MET A 22 -9.675 -7.352 5.109 1.00 0.75 H new ATOM 0 HG2 MET A 22 -9.498 -5.025 4.565 1.00 0.88 H new ATOM 0 HG3 MET A 22 -11.200 -5.401 4.746 1.00 0.88 H new ATOM 0 HE1 MET A 22 -10.953 -1.709 6.087 1.00 2.05 H new ATOM 0 HE2 MET A 22 -10.015 -2.433 4.760 1.00 2.05 H new ATOM 0 HE3 MET A 22 -11.747 -2.804 4.931 1.00 2.05 H new ATOM 341 N GLY A 23 -12.300 -7.852 4.847 1.00 0.79 N ATOM 342 CA GLY A 23 -13.502 -7.942 4.037 1.00 0.85 C ATOM 343 C GLY A 23 -13.205 -8.294 2.592 1.00 0.84 C ATOM 344 O GLY A 23 -14.103 -8.293 1.749 1.00 0.97 O ATOM 0 H GLY A 23 -11.469 -8.267 4.425 1.00 0.79 H new ATOM 0 HA2 GLY A 23 -14.166 -8.695 4.461 1.00 0.85 H new ATOM 0 HA3 GLY A 23 -14.033 -6.991 4.074 1.00 0.85 H new ATOM 348 N LEU A 24 -11.941 -8.597 2.304 1.00 0.77 N ATOM 349 CA LEU A 24 -11.526 -8.949 0.952 1.00 0.78 C ATOM 350 C LEU A 24 -11.848 -10.419 0.651 1.00 0.71 C ATOM 351 O LEU A 24 -11.664 -11.284 1.507 1.00 0.68 O ATOM 352 CB LEU A 24 -10.026 -8.689 0.775 1.00 0.78 C ATOM 353 CG LEU A 24 -9.553 -8.538 -0.672 1.00 0.89 C ATOM 354 CD1 LEU A 24 -10.175 -7.306 -1.311 1.00 1.45 C ATOM 355 CD2 LEU A 24 -8.034 -8.456 -0.727 1.00 1.26 C ATOM 0 H LEU A 24 -11.187 -8.605 2.991 1.00 0.77 H new ATOM 0 HA LEU A 24 -12.078 -8.325 0.249 1.00 0.78 H new ATOM 0 HB2 LEU A 24 -9.765 -7.783 1.321 1.00 0.78 H new ATOM 0 HB3 LEU A 24 -9.475 -9.509 1.236 1.00 0.78 H new ATOM 0 HG LEU A 24 -9.874 -9.416 -1.233 1.00 0.89 H new ATOM 0 HD11 LEU A 24 -9.827 -7.215 -2.340 1.00 1.45 H new ATOM 0 HD12 LEU A 24 -11.261 -7.400 -1.302 1.00 1.45 H new ATOM 0 HD13 LEU A 24 -9.883 -6.418 -0.749 1.00 1.45 H new ATOM 0 HD21 LEU A 24 -7.713 -8.349 -1.763 1.00 1.26 H new ATOM 0 HD22 LEU A 24 -7.695 -7.595 -0.151 1.00 1.26 H new ATOM 0 HD23 LEU A 24 -7.605 -9.366 -0.306 1.00 1.26 H new ATOM 361 N PRO A 25 -12.336 -10.722 -0.572 1.00 0.76 N ATOM 362 CA PRO A 25 -12.692 -12.083 -0.978 1.00 0.74 C ATOM 363 C PRO A 25 -11.489 -12.886 -1.467 1.00 0.67 C ATOM 364 O PRO A 25 -10.792 -12.473 -2.393 1.00 0.67 O ATOM 365 CB PRO A 25 -13.687 -11.867 -2.133 1.00 0.85 C ATOM 366 CG PRO A 25 -13.786 -10.383 -2.331 1.00 0.94 C ATOM 367 CD PRO A 25 -12.589 -9.777 -1.658 1.00 0.89 C ATOM 0 HA PRO A 25 -13.097 -12.655 -0.143 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -13.340 -12.358 -3.042 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -14.661 -12.293 -1.892 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -13.800 -10.134 -3.392 1.00 0.94 H new ATOM 0 HG3 PRO A 25 -14.709 -9.996 -1.900 1.00 0.94 H new ATOM 0 HD2 PRO A 25 -11.738 -9.697 -2.335 1.00 0.89 H new ATOM 0 HD3 PRO A 25 -12.796 -8.774 -1.285 1.00 0.89 H new ATOM 375 N GLU A 26 -11.255 -14.039 -0.838 1.00 0.64 N ATOM 376 CA GLU A 26 -10.142 -14.909 -1.201 1.00 0.60 C ATOM 377 C GLU A 26 -10.123 -15.228 -2.696 1.00 0.60 C ATOM 378 O GLU A 26 -9.061 -15.470 -3.265 1.00 0.59 O ATOM 379 CB GLU A 26 -10.215 -16.213 -0.405 1.00 0.64 C ATOM 380 CG GLU A 26 -8.980 -17.086 -0.553 1.00 1.42 C ATOM 381 CD GLU A 26 -9.072 -18.368 0.250 1.00 1.61 C ATOM 382 OE1 GLU A 26 -8.795 -18.326 1.468 1.00 1.99 O ATOM 383 OE2 GLU A 26 -9.421 -19.413 -0.337 1.00 1.74 O ATOM 0 H GLU A 26 -11.827 -14.391 -0.070 1.00 0.64 H new ATOM 0 HA GLU A 26 -9.223 -14.374 -0.961 1.00 0.60 H new ATOM 0 HB2 GLU A 26 -10.359 -15.978 0.649 1.00 0.64 H new ATOM 0 HB3 GLU A 26 -11.090 -16.778 -0.728 1.00 0.64 H new ATOM 0 HG2 GLU A 26 -8.837 -17.331 -1.605 1.00 1.42 H new ATOM 0 HG3 GLU A 26 -8.102 -16.524 -0.234 1.00 1.42 H new ATOM 390 N ASP A 27 -11.292 -15.223 -3.332 1.00 0.65 N ATOM 391 CA ASP A 27 -11.380 -15.534 -4.759 1.00 0.70 C ATOM 392 C ASP A 27 -10.506 -14.600 -5.595 1.00 0.70 C ATOM 393 O ASP A 27 -9.738 -15.055 -6.445 1.00 0.71 O ATOM 394 CB ASP A 27 -12.832 -15.448 -5.232 1.00 0.80 C ATOM 395 CG ASP A 27 -13.696 -16.551 -4.650 1.00 1.44 C ATOM 396 OD1 ASP A 27 -14.118 -16.417 -3.483 1.00 2.29 O ATOM 397 OD2 ASP A 27 -13.949 -17.545 -5.361 1.00 1.62 O ATOM 0 H ASP A 27 -12.185 -15.009 -2.888 1.00 0.65 H new ATOM 0 HA ASP A 27 -11.013 -16.551 -4.897 1.00 0.70 H new ATOM 0 HB2 ASP A 27 -13.246 -14.480 -4.951 1.00 0.80 H new ATOM 0 HB3 ASP A 27 -12.861 -15.504 -6.320 1.00 0.80 H new ATOM 402 N LEU A 28 -10.625 -13.300 -5.356 1.00 0.73 N ATOM 403 CA LEU A 28 -9.835 -12.313 -6.086 1.00 0.78 C ATOM 404 C LEU A 28 -8.366 -12.379 -5.675 1.00 0.74 C ATOM 405 O LEU A 28 -7.466 -12.222 -6.500 1.00 0.77 O ATOM 406 CB LEU A 28 -10.378 -10.900 -5.849 1.00 0.90 C ATOM 407 CG LEU A 28 -11.681 -10.566 -6.582 1.00 1.08 C ATOM 408 CD1 LEU A 28 -12.855 -11.311 -5.966 1.00 1.65 C ATOM 409 CD2 LEU A 28 -11.929 -9.065 -6.566 1.00 1.60 C ATOM 0 H LEU A 28 -11.260 -12.904 -4.663 1.00 0.73 H new ATOM 0 HA LEU A 28 -9.912 -12.546 -7.148 1.00 0.78 H new ATOM 0 HB2 LEU A 28 -10.538 -10.765 -4.779 1.00 0.90 H new ATOM 0 HB3 LEU A 28 -9.616 -10.181 -6.151 1.00 0.90 H new ATOM 0 HG LEU A 28 -11.583 -10.889 -7.618 1.00 1.08 H new ATOM 0 HD11 LEU A 28 -13.769 -11.058 -6.503 1.00 1.65 H new ATOM 0 HD12 LEU A 28 -12.680 -12.385 -6.033 1.00 1.65 H new ATOM 0 HD13 LEU A 28 -12.958 -11.025 -4.919 1.00 1.65 H new ATOM 0 HD21 LEU A 28 -12.858 -8.844 -7.091 1.00 1.60 H new ATOM 0 HD22 LEU A 28 -12.004 -8.720 -5.535 1.00 1.60 H new ATOM 0 HD23 LEU A 28 -11.103 -8.554 -7.061 1.00 1.60 H new ATOM 415 N ILE A 29 -8.143 -12.614 -4.387 1.00 0.70 N ATOM 416 CA ILE A 29 -6.800 -12.686 -3.827 1.00 0.72 C ATOM 417 C ILE A 29 -5.984 -13.832 -4.417 1.00 0.66 C ATOM 418 O ILE A 29 -4.793 -13.676 -4.679 1.00 0.70 O ATOM 419 CB ILE A 29 -6.868 -12.844 -2.299 1.00 0.76 C ATOM 420 CG1 ILE A 29 -7.652 -11.677 -1.698 1.00 1.01 C ATOM 421 CG2 ILE A 29 -5.469 -12.920 -1.701 1.00 0.90 C ATOM 422 CD1 ILE A 29 -8.411 -12.040 -0.445 1.00 1.27 C ATOM 0 H ILE A 29 -8.886 -12.760 -3.704 1.00 0.70 H new ATOM 0 HA ILE A 29 -6.300 -11.753 -4.085 1.00 0.72 H new ATOM 0 HB ILE A 29 -7.382 -13.776 -2.061 1.00 0.76 H new ATOM 0 HG12 ILE A 29 -6.961 -10.865 -1.472 1.00 1.01 H new ATOM 0 HG13 ILE A 29 -8.354 -11.301 -2.442 1.00 1.01 H new ATOM 0 HG21 ILE A 29 -5.541 -13.032 -0.619 1.00 0.90 H new ATOM 0 HG22 ILE A 29 -4.940 -13.776 -2.120 1.00 0.90 H new ATOM 0 HG23 ILE A 29 -4.923 -12.006 -1.936 1.00 0.90 H new ATOM 0 HD11 ILE A 29 -8.943 -11.164 -0.075 1.00 1.27 H new ATOM 0 HD12 ILE A 29 -9.127 -12.831 -0.669 1.00 1.27 H new ATOM 0 HD13 ILE A 29 -7.712 -12.388 0.316 1.00 1.27 H new ATOM 426 N GLN A 30 -6.620 -14.982 -4.615 1.00 0.61 N ATOM 427 CA GLN A 30 -5.933 -16.146 -5.173 1.00 0.62 C ATOM 428 C GLN A 30 -5.261 -15.803 -6.499 1.00 0.62 C ATOM 429 O GLN A 30 -4.097 -16.131 -6.719 1.00 0.64 O ATOM 430 CB GLN A 30 -6.917 -17.303 -5.372 1.00 0.68 C ATOM 431 CG GLN A 30 -7.386 -17.937 -4.073 1.00 0.73 C ATOM 432 CD GLN A 30 -6.260 -18.604 -3.308 1.00 0.99 C ATOM 433 OE1 GLN A 30 -5.986 -19.790 -3.489 1.00 1.44 O ATOM 434 NE2 GLN A 30 -5.600 -17.840 -2.444 1.00 1.08 N ATOM 0 H GLN A 30 -7.605 -15.135 -4.399 1.00 0.61 H new ATOM 0 HA GLN A 30 -5.163 -16.451 -4.465 1.00 0.62 H new ATOM 0 HB2 GLN A 30 -7.785 -16.940 -5.923 1.00 0.68 H new ATOM 0 HB3 GLN A 30 -6.445 -18.067 -5.989 1.00 0.68 H new ATOM 0 HG2 GLN A 30 -7.844 -17.173 -3.445 1.00 0.73 H new ATOM 0 HG3 GLN A 30 -8.158 -18.675 -4.291 1.00 0.73 H new ATOM 0 HE21 GLN A 30 -5.861 -16.861 -2.326 1.00 1.08 H new ATOM 0 HE22 GLN A 30 -4.832 -18.232 -1.899 1.00 1.08 H new ATOM 441 N LYS A 31 -6.005 -15.149 -7.381 1.00 0.65 N ATOM 442 CA LYS A 31 -5.482 -14.758 -8.684 1.00 0.72 C ATOM 443 C LYS A 31 -4.436 -13.649 -8.560 1.00 0.72 C ATOM 444 O LYS A 31 -3.503 -13.573 -9.358 1.00 0.76 O ATOM 445 CB LYS A 31 -6.623 -14.295 -9.592 1.00 0.86 C ATOM 446 CG LYS A 31 -7.644 -15.381 -9.885 1.00 1.19 C ATOM 447 CD LYS A 31 -8.870 -14.812 -10.577 1.00 1.49 C ATOM 448 CE LYS A 31 -9.821 -15.912 -11.019 1.00 2.17 C ATOM 449 NZ LYS A 31 -11.055 -15.362 -11.644 1.00 2.84 N ATOM 0 H LYS A 31 -6.975 -14.877 -7.218 1.00 0.65 H new ATOM 0 HA LYS A 31 -4.998 -15.631 -9.123 1.00 0.72 H new ATOM 0 HB2 LYS A 31 -7.128 -13.449 -9.125 1.00 0.86 H new ATOM 0 HB3 LYS A 31 -6.205 -13.937 -10.533 1.00 0.86 H new ATOM 0 HG2 LYS A 31 -7.192 -16.148 -10.514 1.00 1.19 H new ATOM 0 HG3 LYS A 31 -7.941 -15.865 -8.955 1.00 1.19 H new ATOM 0 HD2 LYS A 31 -9.388 -14.132 -9.901 1.00 1.49 H new ATOM 0 HD3 LYS A 31 -8.561 -14.227 -11.443 1.00 1.49 H new ATOM 0 HE2 LYS A 31 -9.315 -16.566 -11.729 1.00 2.17 H new ATOM 0 HE3 LYS A 31 -10.092 -16.525 -10.159 1.00 2.17 H new ATOM 0 HZ1 LYS A 31 -11.677 -16.144 -11.931 1.00 2.84 H new ATOM 0 HZ2 LYS A 31 -11.552 -14.759 -10.958 1.00 2.84 H new ATOM 0 HZ3 LYS A 31 -10.799 -14.798 -12.480 1.00 2.84 H new ATOM 463 N GLY A 32 -4.600 -12.794 -7.554 1.00 0.73 N ATOM 464 CA GLY A 32 -3.679 -11.686 -7.358 1.00 0.81 C ATOM 465 C GLY A 32 -2.366 -12.079 -6.701 1.00 0.76 C ATOM 466 O GLY A 32 -1.334 -11.458 -6.958 1.00 0.83 O ATOM 0 H GLY A 32 -5.355 -12.848 -6.870 1.00 0.73 H new ATOM 0 HA2 GLY A 32 -3.467 -11.229 -8.324 1.00 0.81 H new ATOM 0 HA3 GLY A 32 -4.166 -10.927 -6.746 1.00 0.81 H new ATOM 470 N LYS A 33 -2.392 -13.103 -5.852 1.00 0.72 N ATOM 471 CA LYS A 33 -1.183 -13.543 -5.161 1.00 0.76 C ATOM 472 C LYS A 33 -0.218 -14.228 -6.122 1.00 0.70 C ATOM 473 O LYS A 33 0.996 -14.199 -5.919 1.00 0.77 O ATOM 474 CB LYS A 33 -1.530 -14.479 -3.999 1.00 0.83 C ATOM 475 CG LYS A 33 -2.218 -15.765 -4.426 1.00 0.79 C ATOM 476 CD LYS A 33 -2.395 -16.718 -3.253 1.00 0.92 C ATOM 477 CE LYS A 33 -1.060 -17.252 -2.759 1.00 1.16 C ATOM 478 NZ LYS A 33 -1.218 -18.124 -1.563 1.00 1.82 N ATOM 0 H LYS A 33 -3.230 -13.640 -5.627 1.00 0.72 H new ATOM 0 HA LYS A 33 -0.691 -12.657 -4.758 1.00 0.76 H new ATOM 0 HB2 LYS A 33 -0.615 -14.729 -3.462 1.00 0.83 H new ATOM 0 HB3 LYS A 33 -2.176 -13.949 -3.299 1.00 0.83 H new ATOM 0 HG2 LYS A 33 -3.192 -15.532 -4.857 1.00 0.79 H new ATOM 0 HG3 LYS A 33 -1.632 -16.251 -5.206 1.00 0.79 H new ATOM 0 HD2 LYS A 33 -2.905 -16.203 -2.439 1.00 0.92 H new ATOM 0 HD3 LYS A 33 -3.032 -17.550 -3.553 1.00 0.92 H new ATOM 0 HE2 LYS A 33 -0.577 -17.815 -3.557 1.00 1.16 H new ATOM 0 HE3 LYS A 33 -0.403 -16.417 -2.515 1.00 1.16 H new ATOM 0 HZ1 LYS A 33 -0.285 -18.467 -1.258 1.00 1.82 H new ATOM 0 HZ2 LYS A 33 -1.656 -17.580 -0.792 1.00 1.82 H new ATOM 0 HZ3 LYS A 33 -1.824 -18.935 -1.802 1.00 1.82 H new ATOM 492 N ASP A 34 -0.758 -14.844 -7.166 1.00 0.64 N ATOM 493 CA ASP A 34 0.067 -15.524 -8.158 1.00 0.65 C ATOM 494 C ASP A 34 0.698 -14.515 -9.114 1.00 0.57 C ATOM 495 O ASP A 34 1.522 -14.871 -9.955 1.00 0.60 O ATOM 496 CB ASP A 34 -0.763 -16.542 -8.942 1.00 0.74 C ATOM 497 CG ASP A 34 -1.142 -17.748 -8.103 1.00 1.17 C ATOM 498 OD1 ASP A 34 -0.313 -18.674 -7.988 1.00 1.17 O ATOM 499 OD2 ASP A 34 -2.265 -17.762 -7.559 1.00 1.89 O ATOM 0 H ASP A 34 -1.761 -14.887 -7.348 1.00 0.64 H new ATOM 0 HA ASP A 34 0.863 -16.053 -7.633 1.00 0.65 H new ATOM 0 HB2 ASP A 34 -1.669 -16.061 -9.312 1.00 0.74 H new ATOM 0 HB3 ASP A 34 -0.199 -16.872 -9.814 1.00 0.74 H new ATOM 504 N ILE A 35 0.297 -13.253 -8.976 1.00 0.52 N ATOM 505 CA ILE A 35 0.820 -12.185 -9.821 1.00 0.48 C ATOM 506 C ILE A 35 1.634 -11.185 -9.005 1.00 0.43 C ATOM 507 O ILE A 35 1.147 -10.632 -8.018 1.00 0.46 O ATOM 508 CB ILE A 35 -0.317 -11.438 -10.544 1.00 0.52 C ATOM 509 CG1 ILE A 35 -1.178 -12.424 -11.337 1.00 0.61 C ATOM 510 CG2 ILE A 35 0.251 -10.364 -11.464 1.00 0.55 C ATOM 511 CD1 ILE A 35 -2.429 -11.808 -11.923 1.00 1.28 C ATOM 0 H ILE A 35 -0.389 -12.946 -8.286 1.00 0.52 H new ATOM 0 HA ILE A 35 1.467 -12.654 -10.562 1.00 0.48 H new ATOM 0 HB ILE A 35 -0.945 -10.952 -9.797 1.00 0.52 H new ATOM 0 HG12 ILE A 35 -0.580 -12.847 -12.144 1.00 0.61 H new ATOM 0 HG13 ILE A 35 -1.462 -13.250 -10.685 1.00 0.61 H new ATOM 0 HG21 ILE A 35 -0.566 -9.846 -11.967 1.00 0.55 H new ATOM 0 HG22 ILE A 35 0.827 -9.649 -10.876 1.00 0.55 H new ATOM 0 HG23 ILE A 35 0.899 -10.828 -12.208 1.00 0.55 H new ATOM 0 HD11 ILE A 35 -2.987 -12.568 -12.470 1.00 1.28 H new ATOM 0 HD12 ILE A 35 -3.049 -11.411 -11.120 1.00 1.28 H new ATOM 0 HD13 ILE A 35 -2.154 -11.001 -12.602 1.00 1.28 H new ATOM 515 N LYS A 36 2.877 -10.958 -9.420 1.00 0.40 N ATOM 516 CA LYS A 36 3.759 -10.021 -8.733 1.00 0.38 C ATOM 517 C LYS A 36 3.174 -8.612 -8.770 1.00 0.38 C ATOM 518 O LYS A 36 3.046 -8.012 -9.838 1.00 0.51 O ATOM 519 CB LYS A 36 5.146 -10.028 -9.379 1.00 0.41 C ATOM 520 CG LYS A 36 5.781 -11.408 -9.438 1.00 1.03 C ATOM 521 CD LYS A 36 7.064 -11.401 -10.255 1.00 1.53 C ATOM 522 CE LYS A 36 8.169 -10.622 -9.556 1.00 2.02 C ATOM 523 NZ LYS A 36 8.536 -11.233 -8.248 1.00 2.58 N ATOM 0 H LYS A 36 3.297 -11.412 -10.231 1.00 0.40 H new ATOM 0 HA LYS A 36 3.851 -10.334 -7.693 1.00 0.38 H new ATOM 0 HB2 LYS A 36 5.069 -9.629 -10.390 1.00 0.41 H new ATOM 0 HB3 LYS A 36 5.801 -9.359 -8.821 1.00 0.41 H new ATOM 0 HG2 LYS A 36 5.995 -11.754 -8.427 1.00 1.03 H new ATOM 0 HG3 LYS A 36 5.075 -12.115 -9.874 1.00 1.03 H new ATOM 0 HD2 LYS A 36 7.393 -12.426 -10.426 1.00 1.53 H new ATOM 0 HD3 LYS A 36 6.871 -10.961 -11.233 1.00 1.53 H new ATOM 0 HE2 LYS A 36 9.049 -10.584 -10.199 1.00 2.02 H new ATOM 0 HE3 LYS A 36 7.844 -9.593 -9.398 1.00 2.02 H new ATOM 0 HZ1 LYS A 36 8.421 -10.529 -7.491 1.00 2.58 H new ATOM 0 HZ2 LYS A 36 7.917 -12.047 -8.059 1.00 2.58 H new ATOM 0 HZ3 LYS A 36 9.526 -11.550 -8.279 1.00 2.58 H new ATOM 537 N GLY A 37 2.819 -8.091 -7.598 1.00 0.45 N ATOM 538 CA GLY A 37 2.247 -6.758 -7.518 1.00 0.49 C ATOM 539 C GLY A 37 3.178 -5.690 -8.059 1.00 0.40 C ATOM 540 O GLY A 37 4.383 -5.909 -8.174 1.00 0.39 O ATOM 0 H GLY A 37 2.917 -8.569 -6.702 1.00 0.45 H new ATOM 0 HA2 GLY A 37 1.311 -6.735 -8.075 1.00 0.49 H new ATOM 0 HA3 GLY A 37 2.006 -6.532 -6.479 1.00 0.49 H new ATOM 544 N VAL A 38 2.613 -4.533 -8.393 1.00 0.42 N ATOM 545 CA VAL A 38 3.394 -3.422 -8.921 1.00 0.40 C ATOM 546 C VAL A 38 3.218 -2.180 -8.054 1.00 0.40 C ATOM 547 O VAL A 38 2.095 -1.820 -7.695 1.00 0.48 O ATOM 548 CB VAL A 38 2.990 -3.085 -10.368 1.00 0.51 C ATOM 549 CG1 VAL A 38 3.952 -2.075 -10.974 1.00 0.67 C ATOM 550 CG2 VAL A 38 2.924 -4.347 -11.217 1.00 0.80 C ATOM 0 H VAL A 38 1.615 -4.342 -8.307 1.00 0.42 H new ATOM 0 HA VAL A 38 4.439 -3.732 -8.911 1.00 0.40 H new ATOM 0 HB VAL A 38 1.996 -2.637 -10.349 1.00 0.51 H new ATOM 0 HG11 VAL A 38 3.648 -1.851 -11.997 1.00 0.67 H new ATOM 0 HG12 VAL A 38 3.938 -1.159 -10.383 1.00 0.67 H new ATOM 0 HG13 VAL A 38 4.960 -2.490 -10.978 1.00 0.67 H new ATOM 0 HG21 VAL A 38 2.637 -4.086 -12.235 1.00 0.80 H new ATOM 0 HG22 VAL A 38 3.901 -4.830 -11.228 1.00 0.80 H new ATOM 0 HG23 VAL A 38 2.187 -5.031 -10.796 1.00 0.80 H new ATOM 554 N SER A 39 4.327 -1.527 -7.724 1.00 0.37 N ATOM 555 CA SER A 39 4.287 -0.329 -6.891 1.00 0.40 C ATOM 556 C SER A 39 5.184 0.769 -7.456 1.00 0.39 C ATOM 557 O SER A 39 6.359 0.542 -7.740 1.00 0.44 O ATOM 558 CB SER A 39 4.709 -0.665 -5.461 1.00 0.47 C ATOM 559 OG SER A 39 6.026 -1.189 -5.424 1.00 1.40 O ATOM 0 H SER A 39 5.263 -1.806 -8.019 1.00 0.37 H new ATOM 0 HA SER A 39 3.262 0.041 -6.885 1.00 0.40 H new ATOM 0 HB2 SER A 39 4.654 0.231 -4.843 1.00 0.47 H new ATOM 0 HB3 SER A 39 4.015 -1.389 -5.035 1.00 0.47 H new ATOM 0 HG SER A 39 6.299 -1.453 -6.328 1.00 1.40 H new ATOM 565 N GLU A 40 4.616 1.961 -7.616 1.00 0.38 N ATOM 566 CA GLU A 40 5.353 3.107 -8.138 1.00 0.39 C ATOM 567 C GLU A 40 5.072 4.350 -7.302 1.00 0.39 C ATOM 568 O GLU A 40 3.915 4.708 -7.078 1.00 0.45 O ATOM 569 CB GLU A 40 4.977 3.363 -9.598 1.00 0.43 C ATOM 570 CG GLU A 40 5.481 2.297 -10.553 1.00 1.21 C ATOM 571 CD GLU A 40 4.898 2.440 -11.945 1.00 1.54 C ATOM 572 OE1 GLU A 40 3.739 2.021 -12.149 1.00 2.16 O ATOM 573 OE2 GLU A 40 5.601 2.968 -12.833 1.00 1.57 O ATOM 0 H GLU A 40 3.641 2.159 -7.390 1.00 0.38 H new ATOM 0 HA GLU A 40 6.418 2.882 -8.083 1.00 0.39 H new ATOM 0 HB2 GLU A 40 3.892 3.427 -9.679 1.00 0.43 H new ATOM 0 HB3 GLU A 40 5.377 4.330 -9.903 1.00 0.43 H new ATOM 0 HG2 GLU A 40 6.568 2.351 -10.611 1.00 1.21 H new ATOM 0 HG3 GLU A 40 5.231 1.312 -10.158 1.00 1.21 H new ATOM 580 N ILE A 41 6.132 5.011 -6.844 1.00 0.39 N ATOM 581 CA ILE A 41 5.981 6.207 -6.026 1.00 0.41 C ATOM 582 C ILE A 41 6.497 7.446 -6.749 1.00 0.40 C ATOM 583 O ILE A 41 7.672 7.528 -7.100 1.00 0.43 O ATOM 584 CB ILE A 41 6.734 6.073 -4.684 1.00 0.48 C ATOM 585 CG1 ILE A 41 6.448 4.716 -4.035 1.00 0.57 C ATOM 586 CG2 ILE A 41 6.344 7.203 -3.743 1.00 0.55 C ATOM 587 CD1 ILE A 41 7.357 3.604 -4.517 1.00 1.16 C ATOM 0 H ILE A 41 7.098 4.739 -7.025 1.00 0.39 H new ATOM 0 HA ILE A 41 4.914 6.316 -5.834 1.00 0.41 H new ATOM 0 HB ILE A 41 7.804 6.138 -4.884 1.00 0.48 H new ATOM 0 HG12 ILE A 41 6.549 4.812 -2.954 1.00 0.57 H new ATOM 0 HG13 ILE A 41 5.413 4.439 -4.235 1.00 0.57 H new ATOM 0 HG21 ILE A 41 6.883 7.095 -2.802 1.00 0.55 H new ATOM 0 HG22 ILE A 41 6.598 8.160 -4.199 1.00 0.55 H new ATOM 0 HG23 ILE A 41 5.271 7.165 -3.554 1.00 0.55 H new ATOM 0 HD11 ILE A 41 7.094 2.674 -4.013 1.00 1.16 H new ATOM 0 HD12 ILE A 41 7.239 3.479 -5.593 1.00 1.16 H new ATOM 0 HD13 ILE A 41 8.393 3.858 -4.292 1.00 1.16 H new ATOM 591 N VAL A 42 5.605 8.405 -6.973 1.00 0.39 N ATOM 592 CA VAL A 42 5.969 9.655 -7.631 1.00 0.41 C ATOM 593 C VAL A 42 5.965 10.803 -6.627 1.00 0.41 C ATOM 594 O VAL A 42 4.917 11.164 -6.099 1.00 0.42 O ATOM 595 CB VAL A 42 5.007 9.987 -8.789 1.00 0.45 C ATOM 596 CG1 VAL A 42 5.358 11.329 -9.415 1.00 0.52 C ATOM 597 CG2 VAL A 42 5.032 8.882 -9.834 1.00 0.50 C ATOM 0 H VAL A 42 4.622 8.340 -6.708 1.00 0.39 H new ATOM 0 HA VAL A 42 6.971 9.528 -8.041 1.00 0.41 H new ATOM 0 HB VAL A 42 3.997 10.057 -8.386 1.00 0.45 H new ATOM 0 HG11 VAL A 42 4.666 11.543 -10.230 1.00 0.52 H new ATOM 0 HG12 VAL A 42 5.284 12.113 -8.661 1.00 0.52 H new ATOM 0 HG13 VAL A 42 6.376 11.294 -9.803 1.00 0.52 H new ATOM 0 HG21 VAL A 42 4.347 9.132 -10.644 1.00 0.50 H new ATOM 0 HG22 VAL A 42 6.042 8.779 -10.231 1.00 0.50 H new ATOM 0 HG23 VAL A 42 4.725 7.942 -9.377 1.00 0.50 H new ATOM 601 N HIS A 43 7.134 11.380 -6.374 1.00 0.45 N ATOM 602 CA HIS A 43 7.246 12.485 -5.426 1.00 0.48 C ATOM 603 C HIS A 43 7.382 13.822 -6.151 1.00 0.51 C ATOM 604 O HIS A 43 8.360 14.057 -6.860 1.00 0.58 O ATOM 605 CB HIS A 43 8.441 12.260 -4.494 1.00 0.57 C ATOM 606 CG HIS A 43 8.794 13.458 -3.665 1.00 0.72 C ATOM 607 ND1 HIS A 43 9.812 14.330 -3.995 1.00 1.30 N ATOM 608 CD2 HIS A 43 8.255 13.930 -2.515 1.00 0.78 C ATOM 609 CE1 HIS A 43 9.883 15.284 -3.084 1.00 1.31 C ATOM 610 NE2 HIS A 43 8.950 15.065 -2.176 1.00 0.87 N ATOM 0 H HIS A 43 8.014 11.104 -6.809 1.00 0.45 H new ATOM 0 HA HIS A 43 6.333 12.517 -4.832 1.00 0.48 H new ATOM 0 HB2 HIS A 43 8.221 11.423 -3.831 1.00 0.57 H new ATOM 0 HB3 HIS A 43 9.307 11.975 -5.091 1.00 0.57 H new ATOM 0 HD2 HIS A 43 7.432 13.495 -1.967 1.00 0.78 H new ATOM 0 HE1 HIS A 43 10.585 16.104 -3.082 1.00 1.31 H new ATOM 0 HE2 HIS A 43 8.774 15.645 -1.356 1.00 0.87 H new ATOM 619 N GLU A 44 6.393 14.694 -5.964 1.00 0.51 N ATOM 620 CA GLU A 44 6.399 16.007 -6.601 1.00 0.58 C ATOM 621 C GLU A 44 5.935 17.097 -5.639 1.00 0.61 C ATOM 622 O GLU A 44 4.738 17.254 -5.399 1.00 0.64 O ATOM 623 CB GLU A 44 5.501 16.000 -7.840 1.00 0.63 C ATOM 624 CG GLU A 44 5.561 17.291 -8.640 1.00 1.32 C ATOM 625 CD GLU A 44 6.949 17.584 -9.173 1.00 1.93 C ATOM 626 OE1 GLU A 44 7.262 17.133 -10.295 1.00 2.45 O ATOM 627 OE2 GLU A 44 7.724 18.265 -8.469 1.00 2.53 O ATOM 0 H GLU A 44 5.579 14.514 -5.377 1.00 0.51 H new ATOM 0 HA GLU A 44 7.425 16.225 -6.896 1.00 0.58 H new ATOM 0 HB2 GLU A 44 5.790 15.169 -8.484 1.00 0.63 H new ATOM 0 HB3 GLU A 44 4.471 15.821 -7.531 1.00 0.63 H new ATOM 0 HG2 GLU A 44 4.861 17.230 -9.474 1.00 1.32 H new ATOM 0 HG3 GLU A 44 5.235 18.119 -8.011 1.00 1.32 H new ATOM 634 N GLY A 45 6.889 17.851 -5.097 1.00 0.65 N ATOM 635 CA GLY A 45 6.567 18.929 -4.175 1.00 0.70 C ATOM 636 C GLY A 45 5.584 18.520 -3.092 1.00 0.81 C ATOM 637 O GLY A 45 4.463 19.027 -3.045 1.00 1.77 O ATOM 0 H GLY A 45 7.885 17.734 -5.281 1.00 0.65 H new ATOM 0 HA2 GLY A 45 7.485 19.284 -3.707 1.00 0.70 H new ATOM 0 HA3 GLY A 45 6.151 19.766 -4.736 1.00 0.70 H new ATOM 641 N LYS A 46 6.007 17.597 -2.229 1.00 0.68 N ATOM 642 CA LYS A 46 5.173 17.111 -1.125 1.00 0.64 C ATOM 643 C LYS A 46 3.983 16.286 -1.620 1.00 0.57 C ATOM 644 O LYS A 46 3.381 15.539 -0.849 1.00 0.60 O ATOM 645 CB LYS A 46 4.676 18.276 -0.266 1.00 0.69 C ATOM 646 CG LYS A 46 5.797 19.111 0.334 1.00 1.50 C ATOM 647 CD LYS A 46 5.258 20.176 1.276 1.00 1.65 C ATOM 648 CE LYS A 46 4.440 21.221 0.534 1.00 2.57 C ATOM 649 NZ LYS A 46 3.921 22.273 1.450 1.00 3.15 N ATOM 0 H LYS A 46 6.931 17.166 -2.273 1.00 0.68 H new ATOM 0 HA LYS A 46 5.802 16.459 -0.518 1.00 0.64 H new ATOM 0 HB2 LYS A 46 4.040 18.920 -0.874 1.00 0.69 H new ATOM 0 HB3 LYS A 46 4.055 17.884 0.539 1.00 0.69 H new ATOM 0 HG2 LYS A 46 6.486 18.462 0.874 1.00 1.50 H new ATOM 0 HG3 LYS A 46 6.366 19.586 -0.465 1.00 1.50 H new ATOM 0 HD2 LYS A 46 4.640 19.706 2.041 1.00 1.65 H new ATOM 0 HD3 LYS A 46 6.088 20.661 1.790 1.00 1.65 H new ATOM 0 HE2 LYS A 46 5.056 21.683 -0.238 1.00 2.57 H new ATOM 0 HE3 LYS A 46 3.605 20.736 0.028 1.00 2.57 H new ATOM 0 HZ1 LYS A 46 3.369 22.966 0.905 1.00 3.15 H new ATOM 0 HZ2 LYS A 46 3.313 21.836 2.171 1.00 3.15 H new ATOM 0 HZ3 LYS A 46 4.718 22.753 1.914 1.00 3.15 H new ATOM 663 N LYS A 47 3.647 16.417 -2.899 1.00 0.55 N ATOM 664 CA LYS A 47 2.533 15.669 -3.471 1.00 0.52 C ATOM 665 C LYS A 47 3.025 14.342 -4.028 1.00 0.47 C ATOM 666 O LYS A 47 3.706 14.304 -5.053 1.00 0.53 O ATOM 667 CB LYS A 47 1.850 16.481 -4.573 1.00 0.61 C ATOM 668 CG LYS A 47 1.261 17.792 -4.084 1.00 1.25 C ATOM 669 CD LYS A 47 0.697 18.617 -5.231 1.00 1.65 C ATOM 670 CE LYS A 47 -0.523 17.954 -5.851 1.00 2.25 C ATOM 671 NZ LYS A 47 -1.089 18.763 -6.965 1.00 2.71 N ATOM 0 H LYS A 47 4.127 17.031 -3.557 1.00 0.55 H new ATOM 0 HA LYS A 47 1.806 15.475 -2.683 1.00 0.52 H new ATOM 0 HB2 LYS A 47 2.573 16.689 -5.361 1.00 0.61 H new ATOM 0 HB3 LYS A 47 1.057 15.880 -5.018 1.00 0.61 H new ATOM 0 HG2 LYS A 47 0.472 17.589 -3.359 1.00 1.25 H new ATOM 0 HG3 LYS A 47 2.030 18.366 -3.566 1.00 1.25 H new ATOM 0 HD2 LYS A 47 0.428 19.609 -4.868 1.00 1.65 H new ATOM 0 HD3 LYS A 47 1.464 18.754 -5.993 1.00 1.65 H new ATOM 0 HE2 LYS A 47 -0.250 16.966 -6.222 1.00 2.25 H new ATOM 0 HE3 LYS A 47 -1.285 17.807 -5.085 1.00 2.25 H new ATOM 0 HZ1 LYS A 47 -1.919 18.277 -7.360 1.00 2.71 H new ATOM 0 HZ2 LYS A 47 -1.373 19.697 -6.606 1.00 2.71 H new ATOM 0 HZ3 LYS A 47 -0.371 18.882 -7.708 1.00 2.71 H new ATOM 685 N VAL A 48 2.676 13.256 -3.352 1.00 0.44 N ATOM 686 CA VAL A 48 3.102 11.929 -3.772 1.00 0.44 C ATOM 687 C VAL A 48 1.947 11.117 -4.348 1.00 0.43 C ATOM 688 O VAL A 48 0.915 10.937 -3.702 1.00 0.52 O ATOM 689 CB VAL A 48 3.730 11.154 -2.598 1.00 0.50 C ATOM 690 CG1 VAL A 48 4.210 9.784 -3.049 1.00 1.36 C ATOM 691 CG2 VAL A 48 4.873 11.951 -1.985 1.00 1.31 C ATOM 0 H VAL A 48 2.099 13.268 -2.511 1.00 0.44 H new ATOM 0 HA VAL A 48 3.848 12.073 -4.553 1.00 0.44 H new ATOM 0 HB VAL A 48 2.964 11.008 -1.836 1.00 0.50 H new ATOM 0 HG11 VAL A 48 4.650 9.256 -2.203 1.00 1.36 H new ATOM 0 HG12 VAL A 48 3.366 9.212 -3.435 1.00 1.36 H new ATOM 0 HG13 VAL A 48 4.959 9.901 -3.833 1.00 1.36 H new ATOM 0 HG21 VAL A 48 5.305 11.389 -1.157 1.00 1.31 H new ATOM 0 HG22 VAL A 48 5.638 12.130 -2.741 1.00 1.31 H new ATOM 0 HG23 VAL A 48 4.495 12.905 -1.618 1.00 1.31 H new ATOM 695 N LYS A 49 2.134 10.628 -5.572 1.00 0.43 N ATOM 696 CA LYS A 49 1.121 9.820 -6.240 1.00 0.44 C ATOM 697 C LYS A 49 1.460 8.341 -6.104 1.00 0.42 C ATOM 698 O LYS A 49 2.566 7.917 -6.438 1.00 0.44 O ATOM 699 CB LYS A 49 1.024 10.194 -7.720 1.00 0.51 C ATOM 700 CG LYS A 49 0.783 11.676 -7.965 1.00 1.22 C ATOM 701 CD LYS A 49 -0.578 12.114 -7.446 1.00 1.35 C ATOM 702 CE LYS A 49 -0.824 13.591 -7.712 1.00 1.95 C ATOM 703 NZ LYS A 49 0.179 14.452 -7.027 1.00 2.54 N ATOM 0 H LYS A 49 2.980 10.779 -6.121 1.00 0.43 H new ATOM 0 HA LYS A 49 0.159 10.014 -5.767 1.00 0.44 H new ATOM 0 HB2 LYS A 49 1.946 9.898 -8.221 1.00 0.51 H new ATOM 0 HB3 LYS A 49 0.215 9.624 -8.177 1.00 0.51 H new ATOM 0 HG2 LYS A 49 1.564 12.258 -7.476 1.00 1.22 H new ATOM 0 HG3 LYS A 49 0.851 11.885 -9.033 1.00 1.22 H new ATOM 0 HD2 LYS A 49 -1.359 11.522 -7.923 1.00 1.35 H new ATOM 0 HD3 LYS A 49 -0.640 11.920 -6.375 1.00 1.35 H new ATOM 0 HE2 LYS A 49 -0.790 13.777 -8.785 1.00 1.95 H new ATOM 0 HE3 LYS A 49 -1.825 13.859 -7.373 1.00 1.95 H new ATOM 0 HZ1 LYS A 49 -0.287 14.994 -6.272 1.00 2.54 H new ATOM 0 HZ2 LYS A 49 0.925 13.856 -6.615 1.00 2.54 H new ATOM 0 HZ3 LYS A 49 0.601 15.108 -7.715 1.00 2.54 H new ATOM 717 N LEU A 50 0.505 7.557 -5.617 1.00 0.40 N ATOM 718 CA LEU A 50 0.720 6.127 -5.429 1.00 0.40 C ATOM 719 C LEU A 50 -0.117 5.319 -6.414 1.00 0.36 C ATOM 720 O LEU A 50 -1.338 5.467 -6.475 1.00 0.38 O ATOM 721 CB LEU A 50 0.376 5.730 -3.991 1.00 0.48 C ATOM 722 CG LEU A 50 1.217 4.593 -3.397 1.00 0.74 C ATOM 723 CD1 LEU A 50 1.030 3.312 -4.195 1.00 1.34 C ATOM 724 CD2 LEU A 50 2.688 4.985 -3.347 1.00 1.69 C ATOM 0 H LEU A 50 -0.422 7.885 -5.346 1.00 0.40 H new ATOM 0 HA LEU A 50 1.771 5.909 -5.616 1.00 0.40 H new ATOM 0 HB2 LEU A 50 0.485 6.608 -3.355 1.00 0.48 H new ATOM 0 HB3 LEU A 50 -0.674 5.438 -3.955 1.00 0.48 H new ATOM 0 HG LEU A 50 0.876 4.412 -2.378 1.00 0.74 H new ATOM 0 HD11 LEU A 50 1.635 2.519 -3.757 1.00 1.34 H new ATOM 0 HD12 LEU A 50 -0.020 3.021 -4.175 1.00 1.34 H new ATOM 0 HD13 LEU A 50 1.341 3.477 -5.227 1.00 1.34 H new ATOM 0 HD21 LEU A 50 3.269 4.166 -2.923 1.00 1.69 H new ATOM 0 HD22 LEU A 50 3.043 5.197 -4.356 1.00 1.69 H new ATOM 0 HD23 LEU A 50 2.807 5.873 -2.727 1.00 1.69 H new ATOM 730 N THR A 51 0.550 4.465 -7.185 1.00 0.36 N ATOM 731 CA THR A 51 -0.130 3.635 -8.172 1.00 0.37 C ATOM 732 C THR A 51 0.195 2.157 -7.974 1.00 0.39 C ATOM 733 O THR A 51 1.361 1.769 -7.914 1.00 0.45 O ATOM 734 CB THR A 51 0.254 4.047 -9.607 1.00 0.47 C ATOM 735 OG1 THR A 51 0.035 5.450 -9.789 1.00 0.61 O ATOM 736 CG2 THR A 51 -0.559 3.269 -10.632 1.00 0.63 C ATOM 0 H THR A 51 1.560 4.330 -7.145 1.00 0.36 H new ATOM 0 HA THR A 51 -1.200 3.787 -8.029 1.00 0.37 H new ATOM 0 HB THR A 51 1.310 3.820 -9.754 1.00 0.47 H new ATOM 0 HG1 THR A 51 0.283 5.704 -10.703 1.00 0.61 H new ATOM 0 HG21 THR A 51 -0.269 3.578 -11.636 1.00 0.63 H new ATOM 0 HG22 THR A 51 -0.371 2.202 -10.512 1.00 0.63 H new ATOM 0 HG23 THR A 51 -1.620 3.469 -10.483 1.00 0.63 H new ATOM 741 N ILE A 52 -0.848 1.338 -7.875 1.00 0.41 N ATOM 742 CA ILE A 52 -0.683 -0.100 -7.692 1.00 0.47 C ATOM 743 C ILE A 52 -1.486 -0.866 -8.738 1.00 0.56 C ATOM 744 O ILE A 52 -2.684 -0.632 -8.901 1.00 0.63 O ATOM 745 CB ILE A 52 -1.129 -0.546 -6.286 1.00 0.55 C ATOM 746 CG1 ILE A 52 -0.379 0.245 -5.207 1.00 1.02 C ATOM 747 CG2 ILE A 52 -0.907 -2.042 -6.107 1.00 1.10 C ATOM 748 CD1 ILE A 52 1.119 0.021 -5.215 1.00 1.76 C ATOM 0 H ILE A 52 -1.819 1.647 -7.919 1.00 0.41 H new ATOM 0 HA ILE A 52 0.378 -0.321 -7.807 1.00 0.47 H new ATOM 0 HB ILE A 52 -2.194 -0.342 -6.181 1.00 0.55 H new ATOM 0 HG12 ILE A 52 -0.579 1.308 -5.344 1.00 1.02 H new ATOM 0 HG13 ILE A 52 -0.773 -0.030 -4.229 1.00 1.02 H new ATOM 0 HG21 ILE A 52 -1.227 -2.340 -5.109 1.00 1.10 H new ATOM 0 HG22 ILE A 52 -1.486 -2.587 -6.852 1.00 1.10 H new ATOM 0 HG23 ILE A 52 0.151 -2.270 -6.232 1.00 1.10 H new ATOM 0 HD11 ILE A 52 1.580 0.613 -4.424 1.00 1.76 H new ATOM 0 HD12 ILE A 52 1.330 -1.035 -5.047 1.00 1.76 H new ATOM 0 HD13 ILE A 52 1.527 0.323 -6.180 1.00 1.76 H new ATOM 752 N THR A 53 -0.825 -1.779 -9.439 1.00 0.63 N ATOM 753 CA THR A 53 -1.487 -2.562 -10.475 1.00 0.76 C ATOM 754 C THR A 53 -1.623 -4.028 -10.074 1.00 0.81 C ATOM 755 O THR A 53 -0.660 -4.658 -9.637 1.00 0.80 O ATOM 756 CB THR A 53 -0.722 -2.479 -11.812 1.00 0.85 C ATOM 757 OG1 THR A 53 -0.565 -1.110 -12.201 1.00 0.87 O ATOM 758 CG2 THR A 53 -1.458 -3.239 -12.907 1.00 1.00 C ATOM 0 H THR A 53 0.164 -1.995 -9.310 1.00 0.63 H new ATOM 0 HA THR A 53 -2.482 -2.135 -10.598 1.00 0.76 H new ATOM 0 HB THR A 53 0.259 -2.934 -11.672 1.00 0.85 H new ATOM 0 HG1 THR A 53 -0.077 -1.065 -13.050 1.00 0.87 H new ATOM 0 HG21 THR A 53 -0.899 -3.166 -13.840 1.00 1.00 H new ATOM 0 HG22 THR A 53 -1.553 -4.287 -12.622 1.00 1.00 H new ATOM 0 HG23 THR A 53 -2.450 -2.809 -13.044 1.00 1.00 H new ATOM 763 N TYR A 54 -2.833 -4.561 -10.230 1.00 0.93 N ATOM 764 CA TYR A 54 -3.112 -5.954 -9.905 1.00 1.04 C ATOM 765 C TYR A 54 -3.616 -6.697 -11.137 1.00 1.18 C ATOM 766 O TYR A 54 -4.733 -6.463 -11.599 1.00 1.53 O ATOM 767 CB TYR A 54 -4.148 -6.052 -8.784 1.00 1.11 C ATOM 768 CG TYR A 54 -3.629 -5.628 -7.427 1.00 1.63 C ATOM 769 CD1 TYR A 54 -2.688 -6.395 -6.751 1.00 1.53 C ATOM 770 CD2 TYR A 54 -4.086 -4.465 -6.823 1.00 2.57 C ATOM 771 CE1 TYR A 54 -2.216 -6.013 -5.510 1.00 2.31 C ATOM 772 CE2 TYR A 54 -3.619 -4.077 -5.581 1.00 3.42 C ATOM 773 CZ TYR A 54 -2.685 -4.853 -4.930 1.00 3.28 C ATOM 774 OH TYR A 54 -2.220 -4.471 -3.692 1.00 4.18 O ATOM 0 H TYR A 54 -3.639 -4.044 -10.582 1.00 0.93 H new ATOM 0 HA TYR A 54 -2.184 -6.414 -9.566 1.00 1.04 H new ATOM 0 HB2 TYR A 54 -5.007 -5.433 -9.042 1.00 1.11 H new ATOM 0 HB3 TYR A 54 -4.503 -7.081 -8.721 1.00 1.11 H new ATOM 0 HD1 TYR A 54 -2.320 -7.304 -7.203 1.00 1.53 H new ATOM 0 HD2 TYR A 54 -4.817 -3.854 -7.331 1.00 2.57 H new ATOM 0 HE1 TYR A 54 -1.484 -6.619 -4.997 1.00 2.31 H new ATOM 0 HE2 TYR A 54 -3.985 -3.170 -5.123 1.00 3.42 H new ATOM 0 HH TYR A 54 -2.649 -3.631 -3.426 1.00 4.18 H new ATOM 784 N GLY A 55 -2.788 -7.590 -11.668 1.00 1.09 N ATOM 785 CA GLY A 55 -3.174 -8.352 -12.841 1.00 1.20 C ATOM 786 C GLY A 55 -3.260 -7.493 -14.089 1.00 1.22 C ATOM 787 O GLY A 55 -2.305 -7.409 -14.860 1.00 2.00 O ATOM 0 H GLY A 55 -1.857 -7.800 -11.307 1.00 1.09 H new ATOM 0 HA2 GLY A 55 -2.453 -9.153 -13.004 1.00 1.20 H new ATOM 0 HA3 GLY A 55 -4.140 -8.825 -12.662 1.00 1.20 H new ATOM 791 N SER A 56 -4.411 -6.853 -14.289 1.00 0.89 N ATOM 792 CA SER A 56 -4.617 -6.000 -15.453 1.00 1.23 C ATOM 793 C SER A 56 -5.359 -4.716 -15.080 1.00 1.14 C ATOM 794 O SER A 56 -5.837 -3.990 -15.952 1.00 1.30 O ATOM 795 CB SER A 56 -5.400 -6.756 -16.530 1.00 1.66 C ATOM 796 OG SER A 56 -6.661 -7.181 -16.042 1.00 2.20 O ATOM 0 H SER A 56 -5.212 -6.910 -13.660 1.00 0.89 H new ATOM 0 HA SER A 56 -3.636 -5.726 -15.842 1.00 1.23 H new ATOM 0 HB2 SER A 56 -5.541 -6.114 -17.399 1.00 1.66 H new ATOM 0 HB3 SER A 56 -4.825 -7.621 -16.862 1.00 1.66 H new ATOM 0 HG SER A 56 -7.141 -7.659 -16.750 1.00 2.20 H new ATOM 802 N LYS A 57 -5.443 -4.437 -13.780 1.00 0.92 N ATOM 803 CA LYS A 57 -6.126 -3.240 -13.299 1.00 0.86 C ATOM 804 C LYS A 57 -5.145 -2.263 -12.667 1.00 0.77 C ATOM 805 O LYS A 57 -4.346 -2.639 -11.809 1.00 0.77 O ATOM 806 CB LYS A 57 -7.204 -3.608 -12.285 1.00 0.89 C ATOM 807 CG LYS A 57 -8.002 -2.412 -11.794 1.00 0.91 C ATOM 808 CD LYS A 57 -9.070 -2.837 -10.803 1.00 1.02 C ATOM 809 CE LYS A 57 -10.208 -3.577 -11.485 1.00 1.79 C ATOM 810 NZ LYS A 57 -10.889 -2.730 -12.502 1.00 2.51 N ATOM 0 H LYS A 57 -5.048 -5.022 -13.044 1.00 0.92 H new ATOM 0 HA LYS A 57 -6.591 -2.759 -14.160 1.00 0.86 H new ATOM 0 HB2 LYS A 57 -7.885 -4.330 -12.735 1.00 0.89 H new ATOM 0 HB3 LYS A 57 -6.737 -4.100 -11.431 1.00 0.89 H new ATOM 0 HG2 LYS A 57 -7.332 -1.692 -11.325 1.00 0.91 H new ATOM 0 HG3 LYS A 57 -8.468 -1.909 -12.641 1.00 0.91 H new ATOM 0 HD2 LYS A 57 -8.625 -3.477 -10.041 1.00 1.02 H new ATOM 0 HD3 LYS A 57 -9.462 -1.958 -10.292 1.00 1.02 H new ATOM 0 HE2 LYS A 57 -9.821 -4.477 -11.962 1.00 1.79 H new ATOM 0 HE3 LYS A 57 -10.932 -3.899 -10.737 1.00 1.79 H new ATOM 0 HZ1 LYS A 57 -11.835 -3.115 -12.698 1.00 2.51 H new ATOM 0 HZ2 LYS A 57 -10.979 -1.759 -12.141 1.00 2.51 H new ATOM 0 HZ3 LYS A 57 -10.330 -2.723 -13.379 1.00 2.51 H new ATOM 824 N VAL A 58 -5.211 -1.006 -13.092 1.00 0.75 N ATOM 825 CA VAL A 58 -4.334 0.026 -12.560 1.00 0.70 C ATOM 826 C VAL A 58 -5.080 0.898 -11.555 1.00 0.63 C ATOM 827 O VAL A 58 -6.142 1.440 -11.859 1.00 0.66 O ATOM 828 CB VAL A 58 -3.765 0.918 -13.680 1.00 0.76 C ATOM 829 CG1 VAL A 58 -2.776 1.927 -13.116 1.00 1.38 C ATOM 830 CG2 VAL A 58 -3.113 0.068 -14.760 1.00 1.31 C ATOM 0 H VAL A 58 -5.864 -0.679 -13.804 1.00 0.75 H new ATOM 0 HA VAL A 58 -3.506 -0.480 -12.063 1.00 0.70 H new ATOM 0 HB VAL A 58 -4.590 1.470 -14.131 1.00 0.76 H new ATOM 0 HG11 VAL A 58 -2.387 2.546 -13.924 1.00 1.38 H new ATOM 0 HG12 VAL A 58 -3.279 2.559 -12.384 1.00 1.38 H new ATOM 0 HG13 VAL A 58 -1.953 1.399 -12.635 1.00 1.38 H new ATOM 0 HG21 VAL A 58 -2.717 0.715 -15.543 1.00 1.31 H new ATOM 0 HG22 VAL A 58 -2.301 -0.514 -14.324 1.00 1.31 H new ATOM 0 HG23 VAL A 58 -3.854 -0.607 -15.188 1.00 1.31 H new ATOM 834 N ILE A 59 -4.517 1.028 -10.358 1.00 0.59 N ATOM 835 CA ILE A 59 -5.129 1.835 -9.309 1.00 0.56 C ATOM 836 C ILE A 59 -4.288 3.070 -9.016 1.00 0.50 C ATOM 837 O ILE A 59 -3.119 2.964 -8.650 1.00 0.48 O ATOM 838 CB ILE A 59 -5.309 1.024 -8.008 1.00 0.62 C ATOM 839 CG1 ILE A 59 -6.146 -0.233 -8.271 1.00 0.89 C ATOM 840 CG2 ILE A 59 -5.952 1.883 -6.926 1.00 0.79 C ATOM 841 CD1 ILE A 59 -7.539 0.056 -8.787 1.00 1.60 C ATOM 0 H ILE A 59 -3.638 0.585 -10.091 1.00 0.59 H new ATOM 0 HA ILE A 59 -6.110 2.142 -9.671 1.00 0.56 H new ATOM 0 HB ILE A 59 -4.325 0.713 -7.656 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -5.624 -0.861 -8.993 1.00 0.89 H new ATOM 0 HG13 ILE A 59 -6.223 -0.807 -7.347 1.00 0.89 H new ATOM 0 HG21 ILE A 59 -6.071 1.294 -6.017 1.00 0.79 H new ATOM 0 HG22 ILE A 59 -5.317 2.745 -6.720 1.00 0.79 H new ATOM 0 HG23 ILE A 59 -6.929 2.226 -7.266 1.00 0.79 H new ATOM 0 HD11 ILE A 59 -8.069 -0.883 -8.949 1.00 1.60 H new ATOM 0 HD12 ILE A 59 -8.080 0.657 -8.056 1.00 1.60 H new ATOM 0 HD13 ILE A 59 -7.472 0.602 -9.728 1.00 1.60 H new ATOM 845 N HIS A 60 -4.891 4.243 -9.179 1.00 0.50 N ATOM 846 CA HIS A 60 -4.190 5.500 -8.935 1.00 0.48 C ATOM 847 C HIS A 60 -4.716 6.201 -7.685 1.00 0.49 C ATOM 848 O HIS A 60 -5.909 6.153 -7.388 1.00 0.57 O ATOM 849 CB HIS A 60 -4.332 6.424 -10.147 1.00 0.55 C ATOM 850 CG HIS A 60 -3.642 7.740 -9.980 1.00 1.14 C ATOM 851 ND1 HIS A 60 -4.253 8.847 -9.431 1.00 1.39 N ATOM 852 CD2 HIS A 60 -2.382 8.126 -10.295 1.00 2.15 C ATOM 853 CE1 HIS A 60 -3.401 9.857 -9.416 1.00 2.24 C ATOM 854 NE2 HIS A 60 -2.259 9.445 -9.934 1.00 2.74 N ATOM 0 H HIS A 60 -5.860 4.350 -9.478 1.00 0.50 H new ATOM 0 HA HIS A 60 -3.137 5.268 -8.774 1.00 0.48 H new ATOM 0 HB2 HIS A 60 -3.929 5.921 -11.026 1.00 0.55 H new ATOM 0 HB3 HIS A 60 -5.391 6.600 -10.337 1.00 0.55 H new ATOM 0 HD2 HIS A 60 -1.617 7.511 -10.746 1.00 2.15 H new ATOM 0 HE1 HIS A 60 -3.604 10.850 -9.043 1.00 2.24 H new ATOM 0 HE2 HIS A 60 -1.420 10.015 -10.048 1.00 2.74 H new ATOM 863 N ASN A 61 -3.811 6.854 -6.959 1.00 0.45 N ATOM 864 CA ASN A 61 -4.173 7.574 -5.742 1.00 0.50 C ATOM 865 C ASN A 61 -3.281 8.797 -5.551 1.00 0.47 C ATOM 866 O ASN A 61 -2.208 8.894 -6.148 1.00 0.69 O ATOM 867 CB ASN A 61 -4.064 6.656 -4.523 1.00 0.58 C ATOM 868 CG ASN A 61 -5.012 5.474 -4.599 1.00 0.86 C ATOM 869 OD1 ASN A 61 -4.654 4.408 -5.100 1.00 1.79 O ATOM 870 ND2 ASN A 61 -6.229 5.659 -4.101 1.00 1.01 N ATOM 0 H ASN A 61 -2.819 6.899 -7.194 1.00 0.45 H new ATOM 0 HA ASN A 61 -5.206 7.907 -5.843 1.00 0.50 H new ATOM 0 HB2 ASN A 61 -3.040 6.292 -4.437 1.00 0.58 H new ATOM 0 HB3 ASN A 61 -4.275 7.229 -3.620 1.00 0.58 H new ATOM 0 HD21 ASN A 61 -6.910 4.900 -4.124 1.00 1.01 H new ATOM 0 HD22 ASN A 61 -6.482 6.560 -3.695 1.00 1.01 H new ATOM 875 N GLU A 62 -3.732 9.729 -4.717 1.00 0.49 N ATOM 876 CA GLU A 62 -2.974 10.946 -4.448 1.00 0.50 C ATOM 877 C GLU A 62 -3.153 11.397 -3.001 1.00 0.49 C ATOM 878 O GLU A 62 -4.277 11.514 -2.512 1.00 0.57 O ATOM 879 CB GLU A 62 -3.404 12.058 -5.405 1.00 0.69 C ATOM 880 CG GLU A 62 -4.912 12.223 -5.507 1.00 1.45 C ATOM 881 CD GLU A 62 -5.312 13.318 -6.476 1.00 1.63 C ATOM 882 OE1 GLU A 62 -5.353 13.047 -7.694 1.00 2.01 O ATOM 883 OE2 GLU A 62 -5.586 14.447 -6.016 1.00 1.80 O ATOM 0 H GLU A 62 -4.618 9.665 -4.216 1.00 0.49 H new ATOM 0 HA GLU A 62 -1.918 10.729 -4.606 1.00 0.50 H new ATOM 0 HB2 GLU A 62 -2.965 13.000 -5.075 1.00 0.69 H new ATOM 0 HB3 GLU A 62 -3.002 11.849 -6.396 1.00 0.69 H new ATOM 0 HG2 GLU A 62 -5.357 11.280 -5.826 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -5.317 12.449 -4.521 1.00 1.45 H new ATOM 890 N PHE A 63 -2.037 11.646 -2.322 1.00 0.44 N ATOM 891 CA PHE A 63 -2.065 12.083 -0.928 1.00 0.45 C ATOM 892 C PHE A 63 -0.885 12.996 -0.614 1.00 0.44 C ATOM 893 O PHE A 63 0.171 12.904 -1.244 1.00 0.45 O ATOM 894 CB PHE A 63 -2.064 10.878 0.015 1.00 0.49 C ATOM 895 CG PHE A 63 -1.039 9.836 -0.330 1.00 0.70 C ATOM 896 CD1 PHE A 63 0.298 10.035 -0.024 1.00 0.98 C ATOM 897 CD2 PHE A 63 -1.409 8.660 -0.962 1.00 1.10 C ATOM 898 CE1 PHE A 63 1.245 9.082 -0.344 1.00 1.45 C ATOM 899 CE2 PHE A 63 -0.465 7.703 -1.285 1.00 1.54 C ATOM 900 CZ PHE A 63 0.854 7.901 -0.962 1.00 1.66 C ATOM 0 H PHE A 63 -1.100 11.553 -2.714 1.00 0.44 H new ATOM 0 HA PHE A 63 -2.985 12.648 -0.775 1.00 0.45 H new ATOM 0 HB2 PHE A 63 -1.886 11.226 1.033 1.00 0.49 H new ATOM 0 HB3 PHE A 63 -3.053 10.419 0.003 1.00 0.49 H new ATOM 0 HD1 PHE A 63 0.603 10.946 0.470 1.00 0.98 H new ATOM 0 HD2 PHE A 63 -2.447 8.489 -1.205 1.00 1.10 H new ATOM 0 HE1 PHE A 63 2.286 9.254 -0.114 1.00 1.45 H new ATOM 0 HE2 PHE A 63 -0.766 6.798 -1.792 1.00 1.54 H new ATOM 0 HZ PHE A 63 1.587 7.140 -1.188 1.00 1.66 H new ATOM 910 N THR A 64 -1.072 13.877 0.364 1.00 0.47 N ATOM 911 CA THR A 64 -0.026 14.809 0.768 1.00 0.49 C ATOM 912 C THR A 64 0.749 14.265 1.965 1.00 0.49 C ATOM 913 O THR A 64 0.159 13.810 2.943 1.00 0.55 O ATOM 914 CB THR A 64 -0.611 16.189 1.123 1.00 0.57 C ATOM 915 OG1 THR A 64 -1.417 16.671 0.040 1.00 0.62 O ATOM 916 CG2 THR A 64 0.497 17.190 1.416 1.00 0.62 C ATOM 0 H THR A 64 -1.940 13.965 0.892 1.00 0.47 H new ATOM 0 HA THR A 64 0.651 14.923 -0.079 1.00 0.49 H new ATOM 0 HB THR A 64 -1.225 16.078 2.016 1.00 0.57 H new ATOM 0 HG1 THR A 64 -1.787 17.548 0.273 1.00 0.62 H new ATOM 0 HG21 THR A 64 0.058 18.156 1.664 1.00 0.62 H new ATOM 0 HG22 THR A 64 1.094 16.836 2.257 1.00 0.62 H new ATOM 0 HG23 THR A 64 1.134 17.295 0.538 1.00 0.62 H new ATOM 921 N LEU A 65 2.077 14.313 1.864 1.00 0.47 N ATOM 922 CA LEU A 65 2.971 13.819 2.912 1.00 0.50 C ATOM 923 C LEU A 65 2.505 14.193 4.316 1.00 0.53 C ATOM 924 O LEU A 65 1.716 13.479 4.935 1.00 0.99 O ATOM 925 CB LEU A 65 4.393 14.338 2.673 1.00 0.72 C ATOM 926 CG LEU A 65 5.091 13.780 1.432 1.00 1.05 C ATOM 927 CD1 LEU A 65 6.429 14.470 1.220 1.00 1.57 C ATOM 928 CD2 LEU A 65 5.280 12.275 1.555 1.00 1.42 C ATOM 0 H LEU A 65 2.564 14.695 1.053 1.00 0.47 H new ATOM 0 HA LEU A 65 2.957 12.731 2.855 1.00 0.50 H new ATOM 0 HB2 LEU A 65 4.357 15.424 2.592 1.00 0.72 H new ATOM 0 HB3 LEU A 65 5.000 14.103 3.548 1.00 0.72 H new ATOM 0 HG LEU A 65 4.460 13.976 0.565 1.00 1.05 H new ATOM 0 HD11 LEU A 65 6.913 14.061 0.333 1.00 1.57 H new ATOM 0 HD12 LEU A 65 6.269 15.540 1.086 1.00 1.57 H new ATOM 0 HD13 LEU A 65 7.066 14.304 2.089 1.00 1.57 H new ATOM 0 HD21 LEU A 65 5.778 11.897 0.662 1.00 1.42 H new ATOM 0 HD22 LEU A 65 5.890 12.055 2.431 1.00 1.42 H new ATOM 0 HD23 LEU A 65 4.308 11.794 1.659 1.00 1.42 H new ATOM 934 N GLY A 66 3.016 15.303 4.805 1.00 0.46 N ATOM 935 CA GLY A 66 2.677 15.769 6.141 1.00 0.60 C ATOM 936 C GLY A 66 1.289 16.374 6.242 1.00 0.61 C ATOM 937 O GLY A 66 1.101 17.386 6.917 1.00 0.80 O ATOM 0 H GLY A 66 3.669 15.903 4.300 1.00 0.46 H new ATOM 0 HA2 GLY A 66 2.751 14.934 6.837 1.00 0.60 H new ATOM 0 HA3 GLY A 66 3.411 16.511 6.454 1.00 0.60 H new ATOM 941 N GLU A 67 0.317 15.757 5.579 1.00 0.54 N ATOM 942 CA GLU A 67 -1.060 16.238 5.612 1.00 0.57 C ATOM 943 C GLU A 67 -2.040 15.081 5.458 1.00 0.55 C ATOM 944 O GLU A 67 -1.886 14.237 4.574 1.00 0.55 O ATOM 945 CB GLU A 67 -1.297 17.268 4.504 1.00 0.60 C ATOM 946 CG GLU A 67 -0.638 18.613 4.765 1.00 1.30 C ATOM 947 CD GLU A 67 -1.266 19.354 5.929 1.00 1.85 C ATOM 948 OE1 GLU A 67 -2.240 20.102 5.699 1.00 2.14 O ATOM 949 OE2 GLU A 67 -0.786 19.187 7.069 1.00 2.66 O ATOM 0 H GLU A 67 0.457 14.921 5.011 1.00 0.54 H new ATOM 0 HA GLU A 67 -1.227 16.713 6.579 1.00 0.57 H new ATOM 0 HB2 GLU A 67 -0.923 16.867 3.562 1.00 0.60 H new ATOM 0 HB3 GLU A 67 -2.370 17.417 4.383 1.00 0.60 H new ATOM 0 HG2 GLU A 67 0.423 18.461 4.966 1.00 1.30 H new ATOM 0 HG3 GLU A 67 -0.708 19.228 3.868 1.00 1.30 H new ATOM 956 N GLU A 68 -3.050 15.045 6.321 1.00 0.60 N ATOM 957 CA GLU A 68 -4.056 13.990 6.272 1.00 0.61 C ATOM 958 C GLU A 68 -5.000 14.206 5.094 1.00 0.63 C ATOM 959 O GLU A 68 -5.690 15.223 5.018 1.00 0.71 O ATOM 960 CB GLU A 68 -4.851 13.956 7.580 1.00 0.71 C ATOM 961 CG GLU A 68 -5.902 12.859 7.626 1.00 0.74 C ATOM 962 CD GLU A 68 -6.687 12.859 8.922 1.00 1.01 C ATOM 963 OE1 GLU A 68 -7.660 13.635 9.026 1.00 1.05 O ATOM 964 OE2 GLU A 68 -6.330 12.083 9.834 1.00 1.32 O ATOM 0 H GLU A 68 -3.194 15.732 7.061 1.00 0.60 H new ATOM 0 HA GLU A 68 -3.548 13.035 6.141 1.00 0.61 H new ATOM 0 HB2 GLU A 68 -4.160 13.820 8.412 1.00 0.71 H new ATOM 0 HB3 GLU A 68 -5.338 14.920 7.724 1.00 0.71 H new ATOM 0 HG2 GLU A 68 -6.589 12.984 6.789 1.00 0.74 H new ATOM 0 HG3 GLU A 68 -5.417 11.891 7.499 1.00 0.74 H new ATOM 971 N CYS A 69 -5.028 13.241 4.181 1.00 0.61 N ATOM 972 CA CYS A 69 -5.883 13.325 3.003 1.00 0.67 C ATOM 973 C CYS A 69 -6.926 12.214 3.005 1.00 0.67 C ATOM 974 O CYS A 69 -6.744 11.182 3.649 1.00 0.64 O ATOM 975 CB CYS A 69 -5.043 13.245 1.729 1.00 0.73 C ATOM 976 SG CYS A 69 -5.976 13.539 0.210 1.00 1.86 S ATOM 0 H CYS A 69 -4.467 12.391 4.235 1.00 0.61 H new ATOM 0 HA CYS A 69 -6.400 14.284 3.031 1.00 0.67 H new ATOM 0 HB2 CYS A 69 -4.235 13.974 1.793 1.00 0.73 H new ATOM 0 HB3 CYS A 69 -4.580 12.260 1.673 1.00 0.73 H new ATOM 0 HG CYS A 69 -5.178 13.452 -0.813 1.00 1.86 H new ATOM 982 N GLU A 70 -8.016 12.435 2.282 1.00 0.75 N ATOM 983 CA GLU A 70 -9.093 11.455 2.201 1.00 0.77 C ATOM 984 C GLU A 70 -8.978 10.620 0.928 1.00 0.81 C ATOM 985 O GLU A 70 -9.034 11.153 -0.181 1.00 0.87 O ATOM 986 CB GLU A 70 -10.450 12.158 2.245 1.00 0.84 C ATOM 987 CG GLU A 70 -11.634 11.213 2.142 1.00 0.91 C ATOM 988 CD GLU A 70 -12.965 11.937 2.193 1.00 1.22 C ATOM 989 OE1 GLU A 70 -13.434 12.392 1.128 1.00 1.71 O ATOM 990 OE2 GLU A 70 -13.537 12.048 3.296 1.00 1.25 O ATOM 0 H GLU A 70 -8.179 13.285 1.742 1.00 0.75 H new ATOM 0 HA GLU A 70 -9.009 10.786 3.058 1.00 0.77 H new ATOM 0 HB2 GLU A 70 -10.527 12.721 3.175 1.00 0.84 H new ATOM 0 HB3 GLU A 70 -10.501 12.880 1.430 1.00 0.84 H new ATOM 0 HG2 GLU A 70 -11.566 10.651 1.210 1.00 0.91 H new ATOM 0 HG3 GLU A 70 -11.587 10.488 2.955 1.00 0.91 H new ATOM 997 N LEU A 71 -8.823 9.310 1.097 1.00 0.83 N ATOM 998 CA LEU A 71 -8.706 8.396 -0.034 1.00 0.91 C ATOM 999 C LEU A 71 -9.931 7.499 -0.131 1.00 0.94 C ATOM 1000 O LEU A 71 -10.517 7.117 0.882 1.00 0.96 O ATOM 1001 CB LEU A 71 -7.440 7.542 0.089 1.00 0.99 C ATOM 1002 CG LEU A 71 -6.121 8.284 -0.144 1.00 1.28 C ATOM 1003 CD1 LEU A 71 -5.808 9.206 1.025 1.00 1.90 C ATOM 1004 CD2 LEU A 71 -4.985 7.295 -0.362 1.00 1.91 C ATOM 0 H LEU A 71 -8.775 8.857 2.010 1.00 0.83 H new ATOM 0 HA LEU A 71 -8.638 8.994 -0.943 1.00 0.91 H new ATOM 0 HB2 LEU A 71 -7.417 7.099 1.085 1.00 0.99 H new ATOM 0 HB3 LEU A 71 -7.506 6.720 -0.624 1.00 0.99 H new ATOM 0 HG LEU A 71 -6.226 8.894 -1.041 1.00 1.28 H new ATOM 0 HD11 LEU A 71 -4.867 9.723 0.839 1.00 1.90 H new ATOM 0 HD12 LEU A 71 -6.608 9.938 1.136 1.00 1.90 H new ATOM 0 HD13 LEU A 71 -5.724 8.619 1.939 1.00 1.90 H new ATOM 0 HD21 LEU A 71 -4.055 7.839 -0.526 1.00 1.91 H new ATOM 0 HD22 LEU A 71 -4.883 6.659 0.517 1.00 1.91 H new ATOM 0 HD23 LEU A 71 -5.202 6.677 -1.233 1.00 1.91 H new ATOM 1010 N GLU A 72 -10.314 7.168 -1.357 1.00 0.99 N ATOM 1011 CA GLU A 72 -11.472 6.319 -1.591 1.00 1.05 C ATOM 1012 C GLU A 72 -11.090 4.845 -1.530 1.00 1.11 C ATOM 1013 O GLU A 72 -10.087 4.428 -2.109 1.00 1.19 O ATOM 1014 CB GLU A 72 -12.094 6.638 -2.948 1.00 1.13 C ATOM 1015 CG GLU A 72 -13.548 6.220 -3.056 1.00 1.52 C ATOM 1016 CD GLU A 72 -14.137 6.498 -4.425 1.00 1.73 C ATOM 1017 OE1 GLU A 72 -14.637 7.622 -4.639 1.00 2.11 O ATOM 1018 OE2 GLU A 72 -14.097 5.591 -5.284 1.00 1.82 O ATOM 0 H GLU A 72 -9.838 7.476 -2.205 1.00 0.99 H new ATOM 0 HA GLU A 72 -12.201 6.518 -0.806 1.00 1.05 H new ATOM 0 HB2 GLU A 72 -12.017 7.710 -3.132 1.00 1.13 H new ATOM 0 HB3 GLU A 72 -11.521 6.138 -3.729 1.00 1.13 H new ATOM 0 HG2 GLU A 72 -13.633 5.155 -2.838 1.00 1.52 H new ATOM 0 HG3 GLU A 72 -14.130 6.747 -2.301 1.00 1.52 H new ATOM 1025 N THR A 73 -11.897 4.059 -0.822 1.00 1.12 N ATOM 1026 CA THR A 73 -11.645 2.630 -0.687 1.00 1.22 C ATOM 1027 C THR A 73 -12.323 1.849 -1.808 1.00 1.35 C ATOM 1028 O THR A 73 -13.106 2.403 -2.579 1.00 1.38 O ATOM 1029 CB THR A 73 -12.143 2.097 0.668 1.00 1.24 C ATOM 1030 OG1 THR A 73 -13.555 2.303 0.789 1.00 1.76 O ATOM 1031 CG2 THR A 73 -11.425 2.789 1.818 1.00 1.63 C ATOM 0 H THR A 73 -12.730 4.389 -0.334 1.00 1.12 H new ATOM 0 HA THR A 73 -10.566 2.490 -0.748 1.00 1.22 H new ATOM 0 HB THR A 73 -11.928 1.029 0.714 1.00 1.24 H new ATOM 0 HG1 THR A 73 -13.731 3.242 1.007 1.00 1.76 H new ATOM 0 HG21 THR A 73 -11.793 2.396 2.766 1.00 1.63 H new ATOM 0 HG22 THR A 73 -10.353 2.605 1.741 1.00 1.63 H new ATOM 0 HG23 THR A 73 -11.614 3.862 1.772 1.00 1.63 H new ATOM 1036 N MET A 74 -12.017 0.558 -1.892 1.00 1.45 N ATOM 1037 CA MET A 74 -12.597 -0.301 -2.917 1.00 1.60 C ATOM 1038 C MET A 74 -14.086 -0.515 -2.666 1.00 1.65 C ATOM 1039 O MET A 74 -14.851 -0.785 -3.593 1.00 1.81 O ATOM 1040 CB MET A 74 -11.875 -1.647 -2.952 1.00 1.70 C ATOM 1041 CG MET A 74 -12.325 -2.551 -4.090 1.00 2.32 C ATOM 1042 SD MET A 74 -12.108 -1.790 -5.711 1.00 3.10 S ATOM 1043 CE MET A 74 -10.346 -1.468 -5.703 1.00 3.79 C ATOM 0 H MET A 74 -11.370 0.084 -1.262 1.00 1.45 H new ATOM 0 HA MET A 74 -12.476 0.192 -3.881 1.00 1.60 H new ATOM 0 HB2 MET A 74 -10.803 -1.472 -3.040 1.00 1.70 H new ATOM 0 HB3 MET A 74 -12.037 -2.161 -2.005 1.00 1.70 H new ATOM 0 HG2 MET A 74 -11.762 -3.483 -4.052 1.00 2.32 H new ATOM 0 HG3 MET A 74 -13.375 -2.808 -3.951 1.00 2.32 H new ATOM 0 HE1 MET A 74 -10.005 -1.285 -6.722 1.00 3.79 H new ATOM 0 HE2 MET A 74 -10.139 -0.592 -5.088 1.00 3.79 H new ATOM 0 HE3 MET A 74 -9.820 -2.331 -5.294 1.00 3.79 H new ATOM 1053 N THR A 75 -14.490 -0.391 -1.405 1.00 1.57 N ATOM 1054 CA THR A 75 -15.887 -0.569 -1.027 1.00 1.67 C ATOM 1055 C THR A 75 -16.704 0.674 -1.354 1.00 1.56 C ATOM 1056 O THR A 75 -17.921 0.603 -1.524 1.00 1.74 O ATOM 1057 CB THR A 75 -16.025 -0.870 0.477 1.00 1.89 C ATOM 1058 OG1 THR A 75 -15.702 0.300 1.240 1.00 2.23 O ATOM 1059 CG2 THR A 75 -15.108 -2.013 0.888 1.00 2.00 C ATOM 0 H THR A 75 -13.869 -0.168 -0.628 1.00 1.57 H new ATOM 0 HA THR A 75 -16.265 -1.416 -1.600 1.00 1.67 H new ATOM 0 HB THR A 75 -17.056 -1.163 0.673 1.00 1.89 H new ATOM 0 HG1 THR A 75 -14.946 0.764 0.824 1.00 2.23 H new ATOM 0 HG21 THR A 75 -15.224 -2.207 1.954 1.00 2.00 H new ATOM 0 HG22 THR A 75 -15.370 -2.909 0.326 1.00 2.00 H new ATOM 0 HG23 THR A 75 -14.073 -1.743 0.678 1.00 2.00 H new ATOM 1064 N GLY A 76 -16.024 1.813 -1.443 1.00 1.40 N ATOM 1065 CA GLY A 76 -16.700 3.061 -1.742 1.00 1.47 C ATOM 1066 C GLY A 76 -16.810 3.954 -0.521 1.00 1.35 C ATOM 1067 O GLY A 76 -17.483 4.985 -0.553 1.00 1.39 O ATOM 0 H GLY A 76 -15.015 1.893 -1.313 1.00 1.40 H new ATOM 0 HA2 GLY A 76 -16.159 3.587 -2.528 1.00 1.47 H new ATOM 0 HA3 GLY A 76 -17.697 2.850 -2.128 1.00 1.47 H new ATOM 1071 N GLU A 77 -16.147 3.551 0.558 1.00 1.28 N ATOM 1072 CA GLU A 77 -16.165 4.312 1.801 1.00 1.22 C ATOM 1073 C GLU A 77 -15.041 5.346 1.822 1.00 1.12 C ATOM 1074 O GLU A 77 -13.959 5.111 1.283 1.00 1.11 O ATOM 1075 CB GLU A 77 -16.032 3.366 2.998 1.00 1.28 C ATOM 1076 CG GLU A 77 -16.045 4.074 4.342 1.00 1.30 C ATOM 1077 CD GLU A 77 -15.890 3.113 5.506 1.00 1.60 C ATOM 1078 OE1 GLU A 77 -14.742 2.717 5.799 1.00 1.94 O ATOM 1079 OE2 GLU A 77 -16.915 2.759 6.123 1.00 1.66 O ATOM 0 H GLU A 77 -15.589 2.698 0.596 1.00 1.28 H new ATOM 0 HA GLU A 77 -17.117 4.839 1.866 1.00 1.22 H new ATOM 0 HB2 GLU A 77 -16.847 2.643 2.971 1.00 1.28 H new ATOM 0 HB3 GLU A 77 -15.103 2.803 2.903 1.00 1.28 H new ATOM 0 HG2 GLU A 77 -15.239 4.807 4.371 1.00 1.30 H new ATOM 0 HG3 GLU A 77 -16.980 4.624 4.451 1.00 1.30 H new ATOM 1086 N LYS A 78 -15.305 6.489 2.448 1.00 1.12 N ATOM 1087 CA LYS A 78 -14.318 7.559 2.539 1.00 1.06 C ATOM 1088 C LYS A 78 -13.486 7.421 3.810 1.00 0.97 C ATOM 1089 O LYS A 78 -14.019 7.467 4.919 1.00 1.03 O ATOM 1090 CB LYS A 78 -15.010 8.922 2.517 1.00 1.19 C ATOM 1091 CG LYS A 78 -15.872 9.152 1.286 1.00 1.29 C ATOM 1092 CD LYS A 78 -15.038 9.230 0.018 1.00 1.78 C ATOM 1093 CE LYS A 78 -15.907 9.483 -1.203 1.00 2.39 C ATOM 1094 NZ LYS A 78 -16.690 10.745 -1.076 1.00 2.94 N ATOM 0 H LYS A 78 -16.195 6.698 2.900 1.00 1.12 H new ATOM 0 HA LYS A 78 -13.654 7.482 1.678 1.00 1.06 H new ATOM 0 HB2 LYS A 78 -15.631 9.018 3.407 1.00 1.19 H new ATOM 0 HB3 LYS A 78 -14.253 9.704 2.571 1.00 1.19 H new ATOM 0 HG2 LYS A 78 -16.597 8.344 1.194 1.00 1.29 H new ATOM 0 HG3 LYS A 78 -16.438 10.076 1.406 1.00 1.29 H new ATOM 0 HD2 LYS A 78 -14.301 10.028 0.114 1.00 1.78 H new ATOM 0 HD3 LYS A 78 -14.485 8.300 -0.113 1.00 1.78 H new ATOM 0 HE2 LYS A 78 -15.278 9.534 -2.092 1.00 2.39 H new ATOM 0 HE3 LYS A 78 -16.590 8.645 -1.343 1.00 2.39 H new ATOM 0 HZ1 LYS A 78 -17.052 11.024 -2.010 1.00 2.94 H new ATOM 0 HZ2 LYS A 78 -17.488 10.595 -0.426 1.00 2.94 H new ATOM 0 HZ3 LYS A 78 -16.077 11.498 -0.703 1.00 2.94 H new ATOM 1108 N VAL A 79 -12.176 7.253 3.641 1.00 0.89 N ATOM 1109 CA VAL A 79 -11.275 7.110 4.778 1.00 0.86 C ATOM 1110 C VAL A 79 -10.190 8.183 4.761 1.00 0.81 C ATOM 1111 O VAL A 79 -9.749 8.616 3.697 1.00 0.84 O ATOM 1112 CB VAL A 79 -10.608 5.721 4.792 1.00 0.90 C ATOM 1113 CG1 VAL A 79 -11.660 4.626 4.872 1.00 1.06 C ATOM 1114 CG2 VAL A 79 -9.726 5.533 3.566 1.00 1.05 C ATOM 0 H VAL A 79 -11.718 7.213 2.730 1.00 0.89 H new ATOM 0 HA VAL A 79 -11.880 7.225 5.678 1.00 0.86 H new ATOM 0 HB VAL A 79 -9.975 5.654 5.677 1.00 0.90 H new ATOM 0 HG11 VAL A 79 -11.171 3.652 4.881 1.00 1.06 H new ATOM 0 HG12 VAL A 79 -12.243 4.748 5.785 1.00 1.06 H new ATOM 0 HG13 VAL A 79 -12.321 4.692 4.008 1.00 1.06 H new ATOM 0 HG21 VAL A 79 -9.265 4.546 3.597 1.00 1.05 H new ATOM 0 HG22 VAL A 79 -10.332 5.622 2.665 1.00 1.05 H new ATOM 0 HG23 VAL A 79 -8.948 6.296 3.557 1.00 1.05 H new ATOM 1118 N LYS A 80 -9.768 8.608 5.948 1.00 0.79 N ATOM 1119 CA LYS A 80 -8.729 9.626 6.071 1.00 0.76 C ATOM 1120 C LYS A 80 -7.430 9.009 6.579 1.00 0.68 C ATOM 1121 O LYS A 80 -7.433 8.241 7.539 1.00 0.72 O ATOM 1122 CB LYS A 80 -9.186 10.739 7.018 1.00 0.84 C ATOM 1123 CG LYS A 80 -9.606 10.235 8.390 1.00 1.48 C ATOM 1124 CD LYS A 80 -10.055 11.372 9.296 1.00 1.82 C ATOM 1125 CE LYS A 80 -11.497 11.775 9.027 1.00 2.54 C ATOM 1126 NZ LYS A 80 -11.683 12.317 7.654 1.00 3.13 N ATOM 0 H LYS A 80 -10.129 8.264 6.838 1.00 0.79 H new ATOM 0 HA LYS A 80 -8.549 10.053 5.084 1.00 0.76 H new ATOM 0 HB2 LYS A 80 -8.376 11.459 7.137 1.00 0.84 H new ATOM 0 HB3 LYS A 80 -10.022 11.271 6.564 1.00 0.84 H new ATOM 0 HG2 LYS A 80 -10.417 9.515 8.280 1.00 1.48 H new ATOM 0 HG3 LYS A 80 -8.773 9.707 8.854 1.00 1.48 H new ATOM 0 HD2 LYS A 80 -9.951 11.069 10.338 1.00 1.82 H new ATOM 0 HD3 LYS A 80 -9.404 12.233 9.148 1.00 1.82 H new ATOM 0 HE2 LYS A 80 -12.146 10.910 9.165 1.00 2.54 H new ATOM 0 HE3 LYS A 80 -11.805 12.524 9.756 1.00 2.54 H new ATOM 0 HZ1 LYS A 80 -12.468 12.999 7.653 1.00 3.13 H new ATOM 0 HZ2 LYS A 80 -10.811 12.793 7.348 1.00 3.13 H new ATOM 0 HZ3 LYS A 80 -11.901 11.538 7.000 1.00 3.13 H new ATOM 1140 N ALA A 81 -6.323 9.344 5.925 1.00 0.64 N ATOM 1141 CA ALA A 81 -5.023 8.815 6.316 1.00 0.62 C ATOM 1142 C ALA A 81 -3.909 9.828 6.075 1.00 0.58 C ATOM 1143 O ALA A 81 -3.922 10.560 5.085 1.00 0.60 O ATOM 1144 CB ALA A 81 -4.733 7.527 5.562 1.00 0.69 C ATOM 0 H ALA A 81 -6.300 9.977 5.125 1.00 0.64 H new ATOM 0 HA ALA A 81 -5.057 8.606 7.385 1.00 0.62 H new ATOM 0 HB1 ALA A 81 -3.759 7.141 5.862 1.00 0.69 H new ATOM 0 HB2 ALA A 81 -5.502 6.790 5.792 1.00 0.69 H new ATOM 0 HB3 ALA A 81 -4.730 7.726 4.490 1.00 0.69 H new ATOM 1150 N VAL A 82 -2.946 9.859 6.989 1.00 0.58 N ATOM 1151 CA VAL A 82 -1.815 10.767 6.882 1.00 0.56 C ATOM 1152 C VAL A 82 -0.495 9.996 6.908 1.00 0.50 C ATOM 1153 O VAL A 82 -0.157 9.347 7.902 1.00 0.48 O ATOM 1154 CB VAL A 82 -1.827 11.820 8.013 1.00 0.59 C ATOM 1155 CG1 VAL A 82 -1.917 11.151 9.377 1.00 1.40 C ATOM 1156 CG2 VAL A 82 -0.599 12.716 7.929 1.00 1.34 C ATOM 0 H VAL A 82 -2.928 9.262 7.816 1.00 0.58 H new ATOM 0 HA VAL A 82 -1.905 11.286 5.928 1.00 0.56 H new ATOM 0 HB VAL A 82 -2.712 12.444 7.885 1.00 0.59 H new ATOM 0 HG11 VAL A 82 -1.924 11.913 10.156 1.00 1.40 H new ATOM 0 HG12 VAL A 82 -2.834 10.565 9.435 1.00 1.40 H new ATOM 0 HG13 VAL A 82 -1.058 10.495 9.518 1.00 1.40 H new ATOM 0 HG21 VAL A 82 -0.628 13.450 8.735 1.00 1.34 H new ATOM 0 HG22 VAL A 82 0.301 12.109 8.023 1.00 1.34 H new ATOM 0 HG23 VAL A 82 -0.590 13.232 6.969 1.00 1.34 H new ATOM 1160 N VAL A 83 0.233 10.047 5.796 1.00 0.50 N ATOM 1161 CA VAL A 83 1.518 9.362 5.688 1.00 0.47 C ATOM 1162 C VAL A 83 2.669 10.364 5.654 1.00 0.45 C ATOM 1163 O VAL A 83 2.786 11.159 4.723 1.00 0.53 O ATOM 1164 CB VAL A 83 1.576 8.469 4.431 1.00 0.55 C ATOM 1165 CG1 VAL A 83 1.153 9.247 3.195 1.00 1.26 C ATOM 1166 CG2 VAL A 83 2.971 7.884 4.246 1.00 1.11 C ATOM 0 H VAL A 83 -0.045 10.556 4.957 1.00 0.50 H new ATOM 0 HA VAL A 83 1.620 8.730 6.570 1.00 0.47 H new ATOM 0 HB VAL A 83 0.877 7.645 4.571 1.00 0.55 H new ATOM 0 HG11 VAL A 83 1.202 8.597 2.321 1.00 1.26 H new ATOM 0 HG12 VAL A 83 0.132 9.606 3.323 1.00 1.26 H new ATOM 0 HG13 VAL A 83 1.821 10.096 3.053 1.00 1.26 H new ATOM 0 HG21 VAL A 83 2.988 7.258 3.354 1.00 1.11 H new ATOM 0 HG22 VAL A 83 3.693 8.693 4.135 1.00 1.11 H new ATOM 0 HG23 VAL A 83 3.231 7.282 5.116 1.00 1.11 H new ATOM 1170 N LYS A 84 3.523 10.317 6.670 1.00 0.41 N ATOM 1171 CA LYS A 84 4.661 11.212 6.752 1.00 0.43 C ATOM 1172 C LYS A 84 5.953 10.482 6.406 1.00 0.42 C ATOM 1173 O LYS A 84 6.127 9.313 6.751 1.00 0.44 O ATOM 1174 CB LYS A 84 4.759 11.796 8.156 1.00 0.48 C ATOM 1175 CG LYS A 84 3.793 12.941 8.407 1.00 0.78 C ATOM 1176 CD LYS A 84 3.990 13.549 9.787 1.00 0.91 C ATOM 1177 CE LYS A 84 5.357 14.200 9.923 1.00 1.51 C ATOM 1178 NZ LYS A 84 5.562 15.276 8.916 1.00 2.11 N ATOM 0 H LYS A 84 3.444 9.664 7.450 1.00 0.41 H new ATOM 0 HA LYS A 84 4.517 12.017 6.032 1.00 0.43 H new ATOM 0 HB2 LYS A 84 4.570 11.006 8.883 1.00 0.48 H new ATOM 0 HB3 LYS A 84 5.777 12.147 8.324 1.00 0.48 H new ATOM 0 HG2 LYS A 84 3.934 13.710 7.647 1.00 0.78 H new ATOM 0 HG3 LYS A 84 2.769 12.581 8.310 1.00 0.78 H new ATOM 0 HD2 LYS A 84 3.213 14.291 9.972 1.00 0.91 H new ATOM 0 HD3 LYS A 84 3.878 12.774 10.546 1.00 0.91 H new ATOM 0 HE2 LYS A 84 5.463 14.616 10.925 1.00 1.51 H new ATOM 0 HE3 LYS A 84 6.133 13.443 9.808 1.00 1.51 H new ATOM 0 HZ1 LYS A 84 5.978 16.109 9.378 1.00 2.11 H new ATOM 0 HZ2 LYS A 84 6.203 14.937 8.171 1.00 2.11 H new ATOM 0 HZ3 LYS A 84 4.648 15.535 8.494 1.00 2.11 H new ATOM 1192 N MET A 85 6.858 11.180 5.729 1.00 0.48 N ATOM 1193 CA MET A 85 8.135 10.592 5.335 1.00 0.52 C ATOM 1194 C MET A 85 9.285 11.204 6.125 1.00 0.57 C ATOM 1195 O MET A 85 9.303 12.407 6.385 1.00 0.67 O ATOM 1196 CB MET A 85 8.362 10.774 3.831 1.00 0.68 C ATOM 1197 CG MET A 85 8.366 12.227 3.376 1.00 1.26 C ATOM 1198 SD MET A 85 9.972 13.023 3.587 1.00 1.83 S ATOM 1199 CE MET A 85 9.619 14.669 2.975 1.00 2.62 C ATOM 0 H MET A 85 6.733 12.151 5.442 1.00 0.48 H new ATOM 0 HA MET A 85 8.102 9.526 5.558 1.00 0.52 H new ATOM 0 HB2 MET A 85 9.313 10.317 3.560 1.00 0.68 H new ATOM 0 HB3 MET A 85 7.584 10.237 3.289 1.00 0.68 H new ATOM 0 HG2 MET A 85 8.077 12.275 2.326 1.00 1.26 H new ATOM 0 HG3 MET A 85 7.615 12.781 3.939 1.00 1.26 H new ATOM 0 HE1 MET A 85 10.490 15.307 3.123 1.00 2.62 H new ATOM 0 HE2 MET A 85 9.382 14.619 1.912 1.00 2.62 H new ATOM 0 HE3 MET A 85 8.769 15.084 3.517 1.00 2.62 H new ATOM 1209 N GLU A 86 10.240 10.364 6.510 1.00 0.60 N ATOM 1210 CA GLU A 86 11.398 10.815 7.268 1.00 0.73 C ATOM 1211 C GLU A 86 12.629 10.891 6.379 1.00 0.84 C ATOM 1212 O GLU A 86 13.587 11.604 6.679 1.00 1.00 O ATOM 1213 CB GLU A 86 11.662 9.865 8.432 1.00 0.77 C ATOM 1214 CG GLU A 86 12.812 10.299 9.320 1.00 1.07 C ATOM 1215 CD GLU A 86 12.445 11.451 10.234 1.00 1.44 C ATOM 1216 OE1 GLU A 86 11.965 11.189 11.357 1.00 1.48 O ATOM 1217 OE2 GLU A 86 12.639 12.618 9.828 1.00 2.06 O ATOM 0 H GLU A 86 10.233 9.364 6.308 1.00 0.60 H new ATOM 0 HA GLU A 86 11.187 11.812 7.655 1.00 0.73 H new ATOM 0 HB2 GLU A 86 10.758 9.783 9.036 1.00 0.77 H new ATOM 0 HB3 GLU A 86 11.873 8.871 8.038 1.00 0.77 H new ATOM 0 HG2 GLU A 86 13.139 9.452 9.923 1.00 1.07 H new ATOM 0 HG3 GLU A 86 13.657 10.591 8.696 1.00 1.07 H new ATOM 1224 N GLY A 87 12.589 10.151 5.284 1.00 0.80 N ATOM 1225 CA GLY A 87 13.707 10.133 4.364 1.00 0.95 C ATOM 1226 C GLY A 87 14.900 9.385 4.923 1.00 0.81 C ATOM 1227 O GLY A 87 16.047 9.738 4.650 1.00 1.62 O ATOM 0 H GLY A 87 11.802 9.561 5.014 1.00 0.80 H new ATOM 0 HA2 GLY A 87 13.397 9.669 3.428 1.00 0.95 H new ATOM 0 HA3 GLY A 87 14.000 11.157 4.131 1.00 0.95 H new ATOM 1231 N ASP A 88 14.629 8.348 5.710 1.00 0.89 N ATOM 1232 CA ASP A 88 15.692 7.555 6.317 1.00 1.05 C ATOM 1233 C ASP A 88 15.240 6.117 6.553 1.00 0.98 C ATOM 1234 O ASP A 88 15.246 5.639 7.688 1.00 1.56 O ATOM 1235 CB ASP A 88 16.119 8.187 7.643 1.00 1.46 C ATOM 1236 CG ASP A 88 17.389 7.568 8.197 1.00 2.14 C ATOM 1237 OD1 ASP A 88 18.483 7.935 7.719 1.00 2.57 O ATOM 1238 OD2 ASP A 88 17.288 6.720 9.107 1.00 2.84 O ATOM 0 H ASP A 88 13.685 8.038 5.942 1.00 0.89 H new ATOM 0 HA ASP A 88 16.538 7.539 5.630 1.00 1.05 H new ATOM 0 HB2 ASP A 88 16.272 9.257 7.500 1.00 1.46 H new ATOM 0 HB3 ASP A 88 15.316 8.075 8.371 1.00 1.46 H new ATOM 1243 N ASN A 89 14.852 5.427 5.480 1.00 0.54 N ATOM 1244 CA ASN A 89 14.400 4.046 5.588 1.00 0.51 C ATOM 1245 C ASN A 89 13.265 3.921 6.593 1.00 0.46 C ATOM 1246 O ASN A 89 12.906 2.821 6.996 1.00 0.55 O ATOM 1247 CB ASN A 89 15.568 3.140 5.991 1.00 0.61 C ATOM 1248 CG ASN A 89 15.232 1.665 5.879 1.00 1.42 C ATOM 1249 OD1 ASN A 89 15.351 1.068 4.809 1.00 2.19 O ATOM 1250 ND2 ASN A 89 14.817 1.066 6.989 1.00 2.22 N ATOM 0 H ASN A 89 14.843 5.803 4.532 1.00 0.54 H new ATOM 0 HA ASN A 89 14.026 3.731 4.614 1.00 0.51 H new ATOM 0 HB2 ASN A 89 16.428 3.361 5.359 1.00 0.61 H new ATOM 0 HB3 ASN A 89 15.859 3.365 7.017 1.00 0.61 H new ATOM 0 HD21 ASN A 89 14.583 0.073 6.976 1.00 2.22 H new ATOM 0 HD22 ASN A 89 14.733 1.599 7.855 1.00 2.22 H new ATOM 1255 N LYS A 90 12.679 5.051 6.974 1.00 0.46 N ATOM 1256 CA LYS A 90 11.604 5.040 7.947 1.00 0.49 C ATOM 1257 C LYS A 90 10.447 5.947 7.536 1.00 0.46 C ATOM 1258 O LYS A 90 10.639 7.120 7.215 1.00 0.53 O ATOM 1259 CB LYS A 90 12.149 5.470 9.302 1.00 0.70 C ATOM 1260 CG LYS A 90 11.521 4.751 10.470 1.00 0.64 C ATOM 1261 CD LYS A 90 10.093 5.207 10.698 1.00 1.25 C ATOM 1262 CE LYS A 90 9.116 4.056 10.529 1.00 1.43 C ATOM 1263 NZ LYS A 90 9.305 3.017 11.578 1.00 2.05 N ATOM 0 H LYS A 90 12.930 5.976 6.625 1.00 0.46 H new ATOM 0 HA LYS A 90 11.212 4.025 8.005 1.00 0.49 H new ATOM 0 HB2 LYS A 90 13.226 5.300 9.320 1.00 0.70 H new ATOM 0 HB3 LYS A 90 11.993 6.542 9.422 1.00 0.70 H new ATOM 0 HG2 LYS A 90 11.537 3.676 10.289 1.00 0.64 H new ATOM 0 HG3 LYS A 90 12.110 4.931 11.369 1.00 0.64 H new ATOM 0 HD2 LYS A 90 9.997 5.625 11.700 1.00 1.25 H new ATOM 0 HD3 LYS A 90 9.846 6.003 9.996 1.00 1.25 H new ATOM 0 HE2 LYS A 90 8.095 4.436 10.572 1.00 1.43 H new ATOM 0 HE3 LYS A 90 9.248 3.608 9.544 1.00 1.43 H new ATOM 0 HZ1 LYS A 90 9.769 2.184 11.162 1.00 2.05 H new ATOM 0 HZ2 LYS A 90 9.899 3.399 12.342 1.00 2.05 H new ATOM 0 HZ3 LYS A 90 8.380 2.741 11.964 1.00 2.05 H new ATOM 1277 N MET A 91 9.249 5.378 7.552 1.00 0.42 N ATOM 1278 CA MET A 91 8.030 6.106 7.204 1.00 0.45 C ATOM 1279 C MET A 91 6.885 5.666 8.114 1.00 0.42 C ATOM 1280 O MET A 91 6.823 4.507 8.522 1.00 0.46 O ATOM 1281 CB MET A 91 7.664 5.868 5.737 1.00 0.49 C ATOM 1282 CG MET A 91 6.420 6.615 5.288 1.00 1.03 C ATOM 1283 SD MET A 91 6.042 6.350 3.545 1.00 1.51 S ATOM 1284 CE MET A 91 7.470 7.105 2.774 1.00 1.96 C ATOM 0 H MET A 91 9.092 4.402 7.805 1.00 0.42 H new ATOM 0 HA MET A 91 8.205 7.172 7.345 1.00 0.45 H new ATOM 0 HB2 MET A 91 8.503 6.168 5.109 1.00 0.49 H new ATOM 0 HB3 MET A 91 7.513 4.800 5.578 1.00 0.49 H new ATOM 0 HG2 MET A 91 5.571 6.296 5.893 1.00 1.03 H new ATOM 0 HG3 MET A 91 6.556 7.681 5.468 1.00 1.03 H new ATOM 0 HE1 MET A 91 7.335 7.118 1.692 1.00 1.96 H new ATOM 0 HE2 MET A 91 7.582 8.126 3.138 1.00 1.96 H new ATOM 0 HE3 MET A 91 8.363 6.531 3.022 1.00 1.96 H new ATOM 1294 N VAL A 92 5.980 6.590 8.431 1.00 0.40 N ATOM 1295 CA VAL A 92 4.854 6.273 9.303 1.00 0.39 C ATOM 1296 C VAL A 92 3.525 6.757 8.723 1.00 0.38 C ATOM 1297 O VAL A 92 3.349 7.943 8.442 1.00 0.42 O ATOM 1298 CB VAL A 92 5.051 6.875 10.710 1.00 0.45 C ATOM 1299 CG1 VAL A 92 5.300 8.374 10.631 1.00 1.46 C ATOM 1300 CG2 VAL A 92 3.851 6.574 11.598 1.00 1.45 C ATOM 0 H VAL A 92 6.004 7.555 8.100 1.00 0.40 H new ATOM 0 HA VAL A 92 4.819 5.186 9.380 1.00 0.39 H new ATOM 0 HB VAL A 92 5.931 6.410 11.155 1.00 0.45 H new ATOM 0 HG11 VAL A 92 5.436 8.774 11.636 1.00 1.46 H new ATOM 0 HG12 VAL A 92 6.197 8.563 10.041 1.00 1.46 H new ATOM 0 HG13 VAL A 92 4.446 8.860 10.159 1.00 1.46 H new ATOM 0 HG21 VAL A 92 4.011 7.008 12.585 1.00 1.45 H new ATOM 0 HG22 VAL A 92 2.953 7.004 11.154 1.00 1.45 H new ATOM 0 HG23 VAL A 92 3.729 5.495 11.691 1.00 1.45 H new ATOM 1304 N THR A 93 2.596 5.821 8.542 1.00 0.37 N ATOM 1305 CA THR A 93 1.274 6.137 8.008 1.00 0.40 C ATOM 1306 C THR A 93 0.181 5.465 8.836 1.00 0.41 C ATOM 1307 O THR A 93 0.294 4.290 9.186 1.00 0.44 O ATOM 1308 CB THR A 93 1.140 5.697 6.538 1.00 0.44 C ATOM 1309 OG1 THR A 93 -0.199 5.922 6.077 1.00 0.52 O ATOM 1310 CG2 THR A 93 1.496 4.228 6.376 1.00 0.47 C ATOM 0 H THR A 93 2.736 4.834 8.758 1.00 0.37 H new ATOM 0 HA THR A 93 1.156 7.219 8.061 1.00 0.40 H new ATOM 0 HB THR A 93 1.834 6.290 5.942 1.00 0.44 H new ATOM 0 HG1 THR A 93 -0.274 5.641 5.141 1.00 0.52 H new ATOM 0 HG21 THR A 93 1.393 3.942 5.329 1.00 0.47 H new ATOM 0 HG22 THR A 93 2.525 4.065 6.697 1.00 0.47 H new ATOM 0 HG23 THR A 93 0.825 3.622 6.985 1.00 0.47 H new ATOM 1315 N THR A 94 -0.873 6.212 9.151 1.00 0.42 N ATOM 1316 CA THR A 94 -1.976 5.673 9.944 1.00 0.46 C ATOM 1317 C THR A 94 -3.317 5.869 9.245 1.00 0.51 C ATOM 1318 O THR A 94 -3.669 6.985 8.864 1.00 0.57 O ATOM 1319 CB THR A 94 -2.037 6.329 11.336 1.00 0.52 C ATOM 1320 OG1 THR A 94 -2.255 7.739 11.205 1.00 1.23 O ATOM 1321 CG2 THR A 94 -0.751 6.080 12.106 1.00 1.12 C ATOM 0 H THR A 94 -0.988 7.186 8.872 1.00 0.42 H new ATOM 0 HA THR A 94 -1.786 4.606 10.056 1.00 0.46 H new ATOM 0 HB THR A 94 -2.865 5.884 11.887 1.00 0.52 H new ATOM 0 HG1 THR A 94 -2.698 7.924 10.351 1.00 1.23 H new ATOM 0 HG21 THR A 94 -0.817 6.552 13.086 1.00 1.12 H new ATOM 0 HG22 THR A 94 -0.603 5.007 12.229 1.00 1.12 H new ATOM 0 HG23 THR A 94 0.090 6.502 11.556 1.00 1.12 H new ATOM 1326 N PHE A 95 -4.061 4.777 9.080 1.00 0.53 N ATOM 1327 CA PHE A 95 -5.368 4.838 8.433 1.00 0.61 C ATOM 1328 C PHE A 95 -6.383 3.947 9.151 1.00 0.67 C ATOM 1329 O PHE A 95 -6.129 2.767 9.392 1.00 0.76 O ATOM 1330 CB PHE A 95 -5.258 4.434 6.958 1.00 0.73 C ATOM 1331 CG PHE A 95 -4.950 2.979 6.738 1.00 0.58 C ATOM 1332 CD1 PHE A 95 -3.658 2.504 6.894 1.00 0.58 C ATOM 1333 CD2 PHE A 95 -5.949 2.089 6.382 1.00 0.73 C ATOM 1334 CE1 PHE A 95 -3.368 1.169 6.699 1.00 0.75 C ATOM 1335 CE2 PHE A 95 -5.665 0.752 6.185 1.00 0.94 C ATOM 1336 CZ PHE A 95 -4.391 0.289 6.325 1.00 0.96 C ATOM 0 H PHE A 95 -3.782 3.844 9.384 1.00 0.53 H new ATOM 0 HA PHE A 95 -5.720 5.868 8.490 1.00 0.61 H new ATOM 0 HB2 PHE A 95 -6.195 4.675 6.456 1.00 0.73 H new ATOM 0 HB3 PHE A 95 -4.480 5.034 6.486 1.00 0.73 H new ATOM 0 HD1 PHE A 95 -2.868 3.187 7.172 1.00 0.58 H new ATOM 0 HD2 PHE A 95 -6.961 2.444 6.257 1.00 0.73 H new ATOM 0 HE1 PHE A 95 -2.360 0.806 6.834 1.00 0.75 H new ATOM 0 HE2 PHE A 95 -6.458 0.069 5.918 1.00 0.94 H new ATOM 0 HZ PHE A 95 -4.171 -0.753 6.148 1.00 0.96 H new ATOM 1346 N LYS A 96 -7.530 4.529 9.494 1.00 0.74 N ATOM 1347 CA LYS A 96 -8.598 3.799 10.175 1.00 0.83 C ATOM 1348 C LYS A 96 -8.131 3.203 11.502 1.00 0.85 C ATOM 1349 O LYS A 96 -8.728 2.254 12.009 1.00 1.43 O ATOM 1350 CB LYS A 96 -9.148 2.691 9.272 1.00 0.91 C ATOM 1351 CG LYS A 96 -9.989 3.211 8.116 1.00 1.27 C ATOM 1352 CD LYS A 96 -10.566 2.071 7.289 1.00 1.53 C ATOM 1353 CE LYS A 96 -9.507 1.426 6.409 1.00 1.76 C ATOM 1354 NZ LYS A 96 -9.020 2.357 5.353 1.00 2.52 N ATOM 0 H LYS A 96 -7.745 5.509 9.310 1.00 0.74 H new ATOM 0 HA LYS A 96 -9.389 4.517 10.393 1.00 0.83 H new ATOM 0 HB2 LYS A 96 -8.315 2.112 8.873 1.00 0.91 H new ATOM 0 HB3 LYS A 96 -9.751 2.010 9.872 1.00 0.91 H new ATOM 0 HG2 LYS A 96 -10.800 3.828 8.503 1.00 1.27 H new ATOM 0 HG3 LYS A 96 -9.378 3.851 7.479 1.00 1.27 H new ATOM 0 HD2 LYS A 96 -10.995 1.320 7.953 1.00 1.53 H new ATOM 0 HD3 LYS A 96 -11.378 2.447 6.666 1.00 1.53 H new ATOM 0 HE2 LYS A 96 -8.668 1.106 7.026 1.00 1.76 H new ATOM 0 HE3 LYS A 96 -9.919 0.531 5.942 1.00 1.76 H new ATOM 0 HZ1 LYS A 96 -8.000 2.213 5.207 1.00 2.52 H new ATOM 0 HZ2 LYS A 96 -9.527 2.170 4.465 1.00 2.52 H new ATOM 0 HZ3 LYS A 96 -9.192 3.339 5.650 1.00 2.52 H new ATOM 1368 N GLY A 97 -7.067 3.767 12.066 1.00 0.78 N ATOM 1369 CA GLY A 97 -6.554 3.275 13.335 1.00 0.80 C ATOM 1370 C GLY A 97 -5.577 2.126 13.173 1.00 0.70 C ATOM 1371 O GLY A 97 -5.118 1.551 14.160 1.00 0.83 O ATOM 0 H GLY A 97 -6.552 4.553 11.670 1.00 0.78 H new ATOM 0 HA2 GLY A 97 -6.062 4.092 13.863 1.00 0.80 H new ATOM 0 HA3 GLY A 97 -7.388 2.951 13.957 1.00 0.80 H new ATOM 1375 N ILE A 98 -5.261 1.790 11.928 1.00 0.57 N ATOM 1376 CA ILE A 98 -4.330 0.707 11.638 1.00 0.50 C ATOM 1377 C ILE A 98 -2.903 1.240 11.553 1.00 0.45 C ATOM 1378 O ILE A 98 -2.667 2.310 10.994 1.00 0.48 O ATOM 1379 CB ILE A 98 -4.693 -0.008 10.322 1.00 0.52 C ATOM 1380 CG1 ILE A 98 -6.118 -0.566 10.403 1.00 0.71 C ATOM 1381 CG2 ILE A 98 -3.694 -1.120 10.030 1.00 0.59 C ATOM 1382 CD1 ILE A 98 -6.590 -1.230 9.127 1.00 1.45 C ATOM 0 H ILE A 98 -5.637 2.254 11.101 1.00 0.57 H new ATOM 0 HA ILE A 98 -4.400 -0.014 12.453 1.00 0.50 H new ATOM 0 HB ILE A 98 -4.649 0.712 9.505 1.00 0.52 H new ATOM 0 HG12 ILE A 98 -6.169 -1.289 11.217 1.00 0.71 H new ATOM 0 HG13 ILE A 98 -6.802 0.245 10.653 1.00 0.71 H new ATOM 0 HG21 ILE A 98 -3.964 -1.616 9.097 1.00 0.59 H new ATOM 0 HG22 ILE A 98 -2.694 -0.696 9.940 1.00 0.59 H new ATOM 0 HG23 ILE A 98 -3.709 -1.845 10.844 1.00 0.59 H new ATOM 0 HD11 ILE A 98 -7.606 -1.599 9.263 1.00 1.45 H new ATOM 0 HD12 ILE A 98 -6.573 -0.506 8.312 1.00 1.45 H new ATOM 0 HD13 ILE A 98 -5.931 -2.064 8.885 1.00 1.45 H new ATOM 1386 N LYS A 99 -1.954 0.492 12.111 1.00 0.41 N ATOM 1387 CA LYS A 99 -0.559 0.919 12.107 1.00 0.39 C ATOM 1388 C LYS A 99 0.204 0.296 10.949 1.00 0.37 C ATOM 1389 O LYS A 99 0.334 -0.924 10.862 1.00 0.40 O ATOM 1390 CB LYS A 99 0.123 0.534 13.420 1.00 0.42 C ATOM 1391 CG LYS A 99 1.099 1.583 13.928 1.00 0.95 C ATOM 1392 CD LYS A 99 0.379 2.840 14.388 1.00 1.46 C ATOM 1393 CE LYS A 99 1.359 3.899 14.868 1.00 2.05 C ATOM 1394 NZ LYS A 99 2.228 3.395 15.966 1.00 2.71 N ATOM 0 H LYS A 99 -2.124 -0.404 12.567 1.00 0.41 H new ATOM 0 HA LYS A 99 -0.550 2.003 11.994 1.00 0.39 H new ATOM 0 HB2 LYS A 99 -0.640 0.361 14.179 1.00 0.42 H new ATOM 0 HB3 LYS A 99 0.654 -0.408 13.282 1.00 0.42 H new ATOM 0 HG2 LYS A 99 1.679 1.172 14.754 1.00 0.95 H new ATOM 0 HG3 LYS A 99 1.806 1.836 13.138 1.00 0.95 H new ATOM 0 HD2 LYS A 99 -0.218 3.240 13.568 1.00 1.46 H new ATOM 0 HD3 LYS A 99 -0.312 2.591 15.193 1.00 1.46 H new ATOM 0 HE2 LYS A 99 1.980 4.223 14.033 1.00 2.05 H new ATOM 0 HE3 LYS A 99 0.808 4.773 15.214 1.00 2.05 H new ATOM 0 HZ1 LYS A 99 2.735 4.192 16.401 1.00 2.71 H new ATOM 0 HZ2 LYS A 99 1.642 2.924 16.684 1.00 2.71 H new ATOM 0 HZ3 LYS A 99 2.915 2.716 15.581 1.00 2.71 H new ATOM 1408 N SER A 100 0.708 1.144 10.064 1.00 0.36 N ATOM 1409 CA SER A 100 1.476 0.680 8.924 1.00 0.36 C ATOM 1410 C SER A 100 2.866 1.307 8.918 1.00 0.34 C ATOM 1411 O SER A 100 3.001 2.530 8.866 1.00 0.34 O ATOM 1412 CB SER A 100 0.744 0.996 7.620 1.00 0.40 C ATOM 1413 OG SER A 100 -0.440 0.225 7.502 1.00 1.23 O ATOM 0 H SER A 100 0.597 2.157 10.116 1.00 0.36 H new ATOM 0 HA SER A 100 1.588 -0.401 9.006 1.00 0.36 H new ATOM 0 HB2 SER A 100 0.496 2.057 7.586 1.00 0.40 H new ATOM 0 HB3 SER A 100 1.399 0.794 6.773 1.00 0.40 H new ATOM 0 HG SER A 100 -1.036 0.424 8.254 1.00 1.23 H new ATOM 1419 N VAL A 101 3.894 0.467 8.972 1.00 0.34 N ATOM 1420 CA VAL A 101 5.267 0.952 8.969 1.00 0.33 C ATOM 1421 C VAL A 101 5.947 0.638 7.644 1.00 0.33 C ATOM 1422 O VAL A 101 6.069 -0.523 7.255 1.00 0.36 O ATOM 1423 CB VAL A 101 6.080 0.322 10.118 1.00 0.37 C ATOM 1424 CG1 VAL A 101 7.522 0.808 10.089 1.00 0.49 C ATOM 1425 CG2 VAL A 101 5.430 0.629 11.459 1.00 0.59 C ATOM 0 H VAL A 101 3.802 -0.548 9.018 1.00 0.34 H new ATOM 0 HA VAL A 101 5.232 2.032 9.110 1.00 0.33 H new ATOM 0 HB VAL A 101 6.088 -0.759 9.982 1.00 0.37 H new ATOM 0 HG11 VAL A 101 8.077 0.351 10.908 1.00 0.49 H new ATOM 0 HG12 VAL A 101 7.981 0.530 9.140 1.00 0.49 H new ATOM 0 HG13 VAL A 101 7.543 1.892 10.198 1.00 0.49 H new ATOM 0 HG21 VAL A 101 6.016 0.177 12.259 1.00 0.59 H new ATOM 0 HG22 VAL A 101 5.388 1.708 11.605 1.00 0.59 H new ATOM 0 HG23 VAL A 101 4.419 0.222 11.475 1.00 0.59 H new ATOM 1429 N THR A 102 6.393 1.684 6.956 1.00 0.35 N ATOM 1430 CA THR A 102 7.061 1.523 5.673 1.00 0.40 C ATOM 1431 C THR A 102 8.507 2.000 5.728 1.00 0.37 C ATOM 1432 O THR A 102 8.776 3.149 6.069 1.00 0.39 O ATOM 1433 CB THR A 102 6.321 2.290 4.560 1.00 0.50 C ATOM 1434 OG1 THR A 102 4.945 1.894 4.525 1.00 0.55 O ATOM 1435 CG2 THR A 102 6.960 2.032 3.205 1.00 0.59 C ATOM 0 H THR A 102 6.303 2.651 7.267 1.00 0.35 H new ATOM 0 HA THR A 102 7.050 0.457 5.447 1.00 0.40 H new ATOM 0 HB THR A 102 6.389 3.356 4.778 1.00 0.50 H new ATOM 0 HG1 THR A 102 4.400 2.564 4.988 1.00 0.55 H new ATOM 0 HG21 THR A 102 6.419 2.585 2.437 1.00 0.59 H new ATOM 0 HG22 THR A 102 7.999 2.360 3.224 1.00 0.59 H new ATOM 0 HG23 THR A 102 6.920 0.966 2.981 1.00 0.59 H new ATOM 1440 N GLU A 103 9.437 1.114 5.397 1.00 0.37 N ATOM 1441 CA GLU A 103 10.841 1.465 5.378 1.00 0.38 C ATOM 1442 C GLU A 103 11.252 1.822 3.954 1.00 0.41 C ATOM 1443 O GLU A 103 10.947 1.087 3.015 1.00 0.47 O ATOM 1444 CB GLU A 103 11.673 0.303 5.905 1.00 0.43 C ATOM 1445 CG GLU A 103 11.555 0.108 7.406 1.00 1.12 C ATOM 1446 CD GLU A 103 12.398 -1.043 7.915 1.00 1.63 C ATOM 1447 OE1 GLU A 103 11.974 -2.207 7.754 1.00 2.10 O ATOM 1448 OE2 GLU A 103 13.484 -0.783 8.476 1.00 2.08 O ATOM 0 H GLU A 103 9.239 0.147 5.139 1.00 0.37 H new ATOM 0 HA GLU A 103 11.014 2.328 6.021 1.00 0.38 H new ATOM 0 HB2 GLU A 103 11.364 -0.613 5.402 1.00 0.43 H new ATOM 0 HB3 GLU A 103 12.719 0.470 5.649 1.00 0.43 H new ATOM 0 HG2 GLU A 103 11.857 1.025 7.912 1.00 1.12 H new ATOM 0 HG3 GLU A 103 10.511 -0.070 7.664 1.00 1.12 H new ATOM 1455 N PHE A 104 11.943 2.947 3.788 1.00 0.43 N ATOM 1456 CA PHE A 104 12.338 3.385 2.446 1.00 0.49 C ATOM 1457 C PHE A 104 13.841 3.276 2.198 1.00 0.52 C ATOM 1458 O PHE A 104 14.645 3.987 2.802 1.00 0.62 O ATOM 1459 CB PHE A 104 11.885 4.827 2.214 1.00 0.64 C ATOM 1460 CG PHE A 104 10.935 4.980 1.060 1.00 0.56 C ATOM 1461 CD1 PHE A 104 9.577 4.755 1.227 1.00 0.61 C ATOM 1462 CD2 PHE A 104 11.399 5.350 -0.192 1.00 0.69 C ATOM 1463 CE1 PHE A 104 8.702 4.897 0.168 1.00 0.79 C ATOM 1464 CE2 PHE A 104 10.527 5.494 -1.255 1.00 0.78 C ATOM 1465 CZ PHE A 104 9.177 5.266 -1.075 1.00 0.83 C ATOM 0 H PHE A 104 12.237 3.563 4.546 1.00 0.43 H new ATOM 0 HA PHE A 104 11.848 2.714 1.741 1.00 0.49 H new ATOM 0 HB2 PHE A 104 11.406 5.199 3.120 1.00 0.64 H new ATOM 0 HB3 PHE A 104 12.761 5.451 2.038 1.00 0.64 H new ATOM 0 HD1 PHE A 104 9.199 4.465 2.196 1.00 0.61 H new ATOM 0 HD2 PHE A 104 12.454 5.528 -0.339 1.00 0.69 H new ATOM 0 HE1 PHE A 104 7.646 4.719 0.312 1.00 0.79 H new ATOM 0 HE2 PHE A 104 10.901 5.785 -2.225 1.00 0.78 H new ATOM 0 HZ PHE A 104 8.494 5.376 -1.905 1.00 0.83 H new ATOM 1475 N ASN A 105 14.198 2.419 1.248 1.00 0.53 N ATOM 1476 CA ASN A 105 15.592 2.208 0.879 1.00 0.62 C ATOM 1477 C ASN A 105 15.779 2.423 -0.618 1.00 0.67 C ATOM 1478 O ASN A 105 14.839 2.252 -1.396 1.00 0.81 O ATOM 1479 CB ASN A 105 16.043 0.799 1.267 1.00 0.69 C ATOM 1480 CG ASN A 105 17.250 0.804 2.186 1.00 1.24 C ATOM 1481 OD1 ASN A 105 18.083 -0.102 2.139 1.00 1.72 O ATOM 1482 ND2 ASN A 105 17.348 1.823 3.034 1.00 1.53 N ATOM 0 H ASN A 105 13.535 1.855 0.716 1.00 0.53 H new ATOM 0 HA ASN A 105 16.204 2.930 1.419 1.00 0.62 H new ATOM 0 HB2 ASN A 105 15.220 0.280 1.758 1.00 0.69 H new ATOM 0 HB3 ASN A 105 16.281 0.236 0.364 1.00 0.69 H new ATOM 0 HD21 ASN A 105 18.136 1.875 3.679 1.00 1.53 H new ATOM 0 HD22 ASN A 105 16.635 2.552 3.039 1.00 1.53 H new ATOM 1487 N GLY A 106 16.987 2.799 -1.017 1.00 0.78 N ATOM 1488 CA GLY A 106 17.263 3.028 -2.422 1.00 0.82 C ATOM 1489 C GLY A 106 17.462 1.741 -3.201 1.00 0.94 C ATOM 1490 O GLY A 106 18.292 1.686 -4.109 1.00 1.44 O ATOM 0 H GLY A 106 17.780 2.949 -0.394 1.00 0.78 H new ATOM 0 HA2 GLY A 106 16.439 3.590 -2.862 1.00 0.82 H new ATOM 0 HA3 GLY A 106 18.156 3.646 -2.516 1.00 0.82 H new ATOM 1494 N ASP A 107 16.703 0.703 -2.850 1.00 0.74 N ATOM 1495 CA ASP A 107 16.813 -0.585 -3.531 1.00 0.93 C ATOM 1496 C ASP A 107 15.730 -1.563 -3.077 1.00 0.75 C ATOM 1497 O ASP A 107 15.328 -2.444 -3.835 1.00 0.67 O ATOM 1498 CB ASP A 107 18.194 -1.200 -3.289 1.00 1.22 C ATOM 1499 CG ASP A 107 18.535 -1.300 -1.815 1.00 1.91 C ATOM 1500 OD1 ASP A 107 18.047 -2.241 -1.156 1.00 2.43 O ATOM 1501 OD2 ASP A 107 19.292 -0.438 -1.322 1.00 2.55 O ATOM 0 H ASP A 107 16.010 0.729 -2.102 1.00 0.74 H new ATOM 0 HA ASP A 107 16.676 -0.400 -4.596 1.00 0.93 H new ATOM 0 HB2 ASP A 107 18.229 -2.194 -3.735 1.00 1.22 H new ATOM 0 HB3 ASP A 107 18.950 -0.598 -3.793 1.00 1.22 H new ATOM 1506 N THR A 108 15.259 -1.411 -1.841 1.00 0.74 N ATOM 1507 CA THR A 108 14.234 -2.302 -1.307 1.00 0.63 C ATOM 1508 C THR A 108 13.214 -1.550 -0.458 1.00 0.59 C ATOM 1509 O THR A 108 13.576 -0.738 0.393 1.00 0.77 O ATOM 1510 CB THR A 108 14.865 -3.425 -0.458 1.00 0.75 C ATOM 1511 OG1 THR A 108 15.855 -4.121 -1.226 1.00 1.39 O ATOM 1512 CG2 THR A 108 13.807 -4.410 0.020 1.00 1.53 C ATOM 0 H THR A 108 15.569 -0.685 -1.195 1.00 0.74 H new ATOM 0 HA THR A 108 13.721 -2.737 -2.165 1.00 0.63 H new ATOM 0 HB THR A 108 15.332 -2.968 0.414 1.00 0.75 H new ATOM 0 HG1 THR A 108 16.668 -3.577 -1.281 1.00 1.39 H new ATOM 0 HG21 THR A 108 14.280 -5.191 0.616 1.00 1.53 H new ATOM 0 HG22 THR A 108 13.070 -3.886 0.628 1.00 1.53 H new ATOM 0 HG23 THR A 108 13.313 -4.860 -0.841 1.00 1.53 H new ATOM 1517 N ILE A 109 11.935 -1.828 -0.695 1.00 0.45 N ATOM 1518 CA ILE A 109 10.856 -1.189 0.052 1.00 0.44 C ATOM 1519 C ILE A 109 10.038 -2.225 0.822 1.00 0.37 C ATOM 1520 O ILE A 109 9.478 -3.149 0.231 1.00 0.36 O ATOM 1521 CB ILE A 109 9.925 -0.390 -0.884 1.00 0.51 C ATOM 1522 CG1 ILE A 109 10.682 0.773 -1.530 1.00 0.72 C ATOM 1523 CG2 ILE A 109 8.702 0.117 -0.128 1.00 0.70 C ATOM 1524 CD1 ILE A 109 11.197 1.798 -0.541 1.00 1.54 C ATOM 0 H ILE A 109 11.620 -2.494 -1.401 1.00 0.45 H new ATOM 0 HA ILE A 109 11.316 -0.500 0.760 1.00 0.44 H new ATOM 0 HB ILE A 109 9.582 -1.057 -1.674 1.00 0.51 H new ATOM 0 HG12 ILE A 109 11.524 0.375 -2.097 1.00 0.72 H new ATOM 0 HG13 ILE A 109 10.024 1.270 -2.243 1.00 0.72 H new ATOM 0 HG21 ILE A 109 8.060 0.677 -0.808 1.00 0.70 H new ATOM 0 HG22 ILE A 109 8.149 -0.730 0.278 1.00 0.70 H new ATOM 0 HG23 ILE A 109 9.021 0.766 0.687 1.00 0.70 H new ATOM 0 HD11 ILE A 109 11.721 2.589 -1.077 1.00 1.54 H new ATOM 0 HD12 ILE A 109 10.359 2.226 0.009 1.00 1.54 H new ATOM 0 HD13 ILE A 109 11.882 1.317 0.158 1.00 1.54 H new ATOM 1528 N THR A 110 9.972 -2.065 2.142 1.00 0.37 N ATOM 1529 CA THR A 110 9.225 -2.989 2.991 1.00 0.34 C ATOM 1530 C THR A 110 7.983 -2.323 3.578 1.00 0.32 C ATOM 1531 O THR A 110 8.025 -1.164 3.987 1.00 0.37 O ATOM 1532 CB THR A 110 10.101 -3.521 4.142 1.00 0.39 C ATOM 1533 OG1 THR A 110 11.342 -4.013 3.624 1.00 0.44 O ATOM 1534 CG2 THR A 110 9.387 -4.632 4.897 1.00 0.41 C ATOM 0 H THR A 110 10.427 -1.304 2.646 1.00 0.37 H new ATOM 0 HA THR A 110 8.918 -3.822 2.358 1.00 0.34 H new ATOM 0 HB THR A 110 10.294 -2.700 4.832 1.00 0.39 H new ATOM 0 HG1 THR A 110 11.894 -4.348 4.361 1.00 0.44 H new ATOM 0 HG21 THR A 110 10.025 -4.991 5.704 1.00 0.41 H new ATOM 0 HG22 THR A 110 8.456 -4.248 5.314 1.00 0.41 H new ATOM 0 HG23 THR A 110 9.168 -5.453 4.215 1.00 0.41 H new ATOM 1539 N ASN A 111 6.878 -3.066 3.617 1.00 0.31 N ATOM 1540 CA ASN A 111 5.622 -2.544 4.153 1.00 0.33 C ATOM 1541 C ASN A 111 5.095 -3.433 5.280 1.00 0.31 C ATOM 1542 O ASN A 111 5.028 -4.654 5.137 1.00 0.32 O ATOM 1543 CB ASN A 111 4.580 -2.435 3.040 1.00 0.39 C ATOM 1544 CG ASN A 111 3.300 -1.770 3.503 1.00 1.15 C ATOM 1545 OD1 ASN A 111 2.369 -2.438 3.953 1.00 1.89 O ATOM 1546 ND2 ASN A 111 3.247 -0.449 3.394 1.00 1.95 N ATOM 0 H ASN A 111 6.827 -4.029 3.285 1.00 0.31 H new ATOM 0 HA ASN A 111 5.813 -1.552 4.562 1.00 0.33 H new ATOM 0 HB2 ASN A 111 5.000 -1.868 2.209 1.00 0.39 H new ATOM 0 HB3 ASN A 111 4.351 -3.432 2.663 1.00 0.39 H new ATOM 0 HD21 ASN A 111 2.410 0.054 3.689 1.00 1.95 H new ATOM 0 HD22 ASN A 111 4.043 0.064 3.015 1.00 1.95 H new ATOM 1551 N THR A 112 4.719 -2.812 6.398 1.00 0.31 N ATOM 1552 CA THR A 112 4.202 -3.549 7.551 1.00 0.30 C ATOM 1553 C THR A 112 2.787 -3.109 7.906 1.00 0.30 C ATOM 1554 O THR A 112 2.562 -1.952 8.239 1.00 0.32 O ATOM 1555 CB THR A 112 5.089 -3.348 8.795 1.00 0.32 C ATOM 1556 OG1 THR A 112 6.468 -3.276 8.413 1.00 0.47 O ATOM 1557 CG2 THR A 112 4.896 -4.486 9.784 1.00 0.57 C ATOM 0 H THR A 112 4.763 -1.801 6.530 1.00 0.31 H new ATOM 0 HA THR A 112 4.202 -4.601 7.264 1.00 0.30 H new ATOM 0 HB THR A 112 4.796 -2.413 9.272 1.00 0.32 H new ATOM 0 HG1 THR A 112 6.649 -2.404 8.003 1.00 0.47 H new ATOM 0 HG21 THR A 112 5.532 -4.323 10.654 1.00 0.57 H new ATOM 0 HG22 THR A 112 3.853 -4.522 10.098 1.00 0.57 H new ATOM 0 HG23 THR A 112 5.165 -5.430 9.310 1.00 0.57 H new ATOM 1562 N MET A 113 1.837 -4.035 7.832 1.00 0.31 N ATOM 1563 CA MET A 113 0.448 -3.733 8.173 1.00 0.33 C ATOM 1564 C MET A 113 -0.048 -4.694 9.251 1.00 0.33 C ATOM 1565 O MET A 113 0.058 -5.911 9.100 1.00 0.35 O ATOM 1566 CB MET A 113 -0.445 -3.819 6.934 1.00 0.36 C ATOM 1567 CG MET A 113 -0.105 -2.789 5.868 1.00 0.45 C ATOM 1568 SD MET A 113 -1.192 -2.894 4.432 1.00 0.55 S ATOM 1569 CE MET A 113 -0.601 -1.516 3.451 1.00 1.51 C ATOM 0 H MET A 113 2.001 -4.999 7.540 1.00 0.31 H new ATOM 0 HA MET A 113 0.400 -2.714 8.558 1.00 0.33 H new ATOM 0 HB2 MET A 113 -0.361 -4.817 6.504 1.00 0.36 H new ATOM 0 HB3 MET A 113 -1.484 -3.689 7.235 1.00 0.36 H new ATOM 0 HG2 MET A 113 -0.173 -1.790 6.298 1.00 0.45 H new ATOM 0 HG3 MET A 113 0.928 -2.929 5.549 1.00 0.45 H new ATOM 0 HE1 MET A 113 -1.433 -1.079 2.899 1.00 1.51 H new ATOM 0 HE2 MET A 113 -0.166 -0.762 4.107 1.00 1.51 H new ATOM 0 HE3 MET A 113 0.156 -1.867 2.749 1.00 1.51 H new ATOM 1579 N THR A 114 -0.593 -4.146 10.337 1.00 0.34 N ATOM 1580 CA THR A 114 -1.083 -4.976 11.432 1.00 0.35 C ATOM 1581 C THR A 114 -2.571 -4.755 11.695 1.00 0.39 C ATOM 1582 O THR A 114 -3.005 -3.640 11.978 1.00 0.43 O ATOM 1583 CB THR A 114 -0.301 -4.702 12.731 1.00 0.42 C ATOM 1584 OG1 THR A 114 1.102 -4.882 12.505 1.00 0.54 O ATOM 1585 CG2 THR A 114 -0.759 -5.627 13.850 1.00 0.56 C ATOM 0 H THR A 114 -0.705 -3.142 10.480 1.00 0.34 H new ATOM 0 HA THR A 114 -0.931 -6.011 11.125 1.00 0.35 H new ATOM 0 HB THR A 114 -0.494 -3.672 13.031 1.00 0.42 H new ATOM 0 HG1 THR A 114 1.592 -4.704 13.335 1.00 0.54 H new ATOM 0 HG21 THR A 114 -0.191 -5.412 14.755 1.00 0.56 H new ATOM 0 HG22 THR A 114 -1.820 -5.469 14.042 1.00 0.56 H new ATOM 0 HG23 THR A 114 -0.594 -6.663 13.556 1.00 0.56 H new ATOM 1590 N LEU A 115 -3.343 -5.835 11.600 1.00 0.42 N ATOM 1591 CA LEU A 115 -4.779 -5.786 11.844 1.00 0.50 C ATOM 1592 C LEU A 115 -5.235 -7.078 12.513 1.00 0.60 C ATOM 1593 O LEU A 115 -5.154 -8.151 11.918 1.00 0.67 O ATOM 1594 CB LEU A 115 -5.541 -5.565 10.528 1.00 0.56 C ATOM 1595 CG LEU A 115 -7.028 -5.191 10.660 1.00 1.04 C ATOM 1596 CD1 LEU A 115 -7.862 -6.396 11.072 1.00 1.80 C ATOM 1597 CD2 LEU A 115 -7.215 -4.052 11.653 1.00 1.85 C ATOM 0 H LEU A 115 -2.993 -6.761 11.354 1.00 0.42 H new ATOM 0 HA LEU A 115 -4.995 -4.949 12.508 1.00 0.50 H new ATOM 0 HB2 LEU A 115 -5.038 -4.777 9.969 1.00 0.56 H new ATOM 0 HB3 LEU A 115 -5.468 -6.475 9.932 1.00 0.56 H new ATOM 0 HG LEU A 115 -7.373 -4.856 9.682 1.00 1.04 H new ATOM 0 HD11 LEU A 115 -8.908 -6.102 11.158 1.00 1.80 H new ATOM 0 HD12 LEU A 115 -7.765 -7.179 10.320 1.00 1.80 H new ATOM 0 HD13 LEU A 115 -7.510 -6.770 12.033 1.00 1.80 H new ATOM 0 HD21 LEU A 115 -8.274 -3.806 11.729 1.00 1.85 H new ATOM 0 HD22 LEU A 115 -6.842 -4.357 12.631 1.00 1.85 H new ATOM 0 HD23 LEU A 115 -6.663 -3.177 11.311 1.00 1.85 H new ATOM 1603 N GLY A 116 -5.720 -6.972 13.744 1.00 0.69 N ATOM 1604 CA GLY A 116 -6.170 -8.149 14.463 1.00 0.84 C ATOM 1605 C GLY A 116 -5.036 -9.111 14.757 1.00 0.93 C ATOM 1606 O GLY A 116 -5.181 -10.321 14.588 1.00 1.80 O ATOM 0 H GLY A 116 -5.810 -6.095 14.256 1.00 0.69 H new ATOM 0 HA2 GLY A 116 -6.637 -7.844 15.400 1.00 0.84 H new ATOM 0 HA3 GLY A 116 -6.934 -8.660 13.877 1.00 0.84 H new ATOM 1610 N ASP A 117 -3.900 -8.562 15.189 1.00 0.53 N ATOM 1611 CA ASP A 117 -2.721 -9.360 15.519 1.00 0.54 C ATOM 1612 C ASP A 117 -2.127 -10.027 14.280 1.00 0.50 C ATOM 1613 O ASP A 117 -1.189 -10.819 14.383 1.00 0.56 O ATOM 1614 CB ASP A 117 -3.061 -10.416 16.576 1.00 0.61 C ATOM 1615 CG ASP A 117 -3.434 -9.800 17.909 1.00 1.52 C ATOM 1616 OD1 ASP A 117 -4.634 -9.518 18.116 1.00 2.14 O ATOM 1617 OD2 ASP A 117 -2.530 -9.601 18.747 1.00 2.23 O ATOM 0 H ASP A 117 -3.772 -7.558 15.319 1.00 0.53 H new ATOM 0 HA ASP A 117 -1.972 -8.681 15.926 1.00 0.54 H new ATOM 0 HB2 ASP A 117 -3.887 -11.031 16.219 1.00 0.61 H new ATOM 0 HB3 ASP A 117 -2.206 -11.079 16.712 1.00 0.61 H new ATOM 1622 N ILE A 118 -2.673 -9.704 13.110 1.00 0.45 N ATOM 1623 CA ILE A 118 -2.181 -10.266 11.858 1.00 0.45 C ATOM 1624 C ILE A 118 -1.041 -9.422 11.298 1.00 0.38 C ATOM 1625 O ILE A 118 -1.107 -8.194 11.312 1.00 0.37 O ATOM 1626 CB ILE A 118 -3.298 -10.366 10.803 1.00 0.50 C ATOM 1627 CG1 ILE A 118 -4.531 -11.039 11.410 1.00 0.53 C ATOM 1628 CG2 ILE A 118 -2.802 -11.133 9.586 1.00 0.61 C ATOM 1629 CD1 ILE A 118 -5.684 -11.196 10.441 1.00 0.83 C ATOM 0 H ILE A 118 -3.455 -9.057 13.004 1.00 0.45 H new ATOM 0 HA ILE A 118 -1.819 -11.270 12.080 1.00 0.45 H new ATOM 0 HB ILE A 118 -3.578 -9.363 10.481 1.00 0.50 H new ATOM 0 HG12 ILE A 118 -4.248 -12.023 11.785 1.00 0.53 H new ATOM 0 HG13 ILE A 118 -4.867 -10.455 12.267 1.00 0.53 H new ATOM 0 HG21 ILE A 118 -3.600 -11.198 8.846 1.00 0.61 H new ATOM 0 HG22 ILE A 118 -1.947 -10.614 9.153 1.00 0.61 H new ATOM 0 HG23 ILE A 118 -2.503 -12.137 9.886 1.00 0.61 H new ATOM 0 HD11 ILE A 118 -6.520 -11.681 10.945 1.00 0.83 H new ATOM 0 HD12 ILE A 118 -5.996 -10.214 10.084 1.00 0.83 H new ATOM 0 HD13 ILE A 118 -5.368 -11.806 9.595 1.00 0.83 H new ATOM 1633 N VAL A 119 -0.001 -10.086 10.805 1.00 0.40 N ATOM 1634 CA VAL A 119 1.153 -9.385 10.255 1.00 0.36 C ATOM 1635 C VAL A 119 1.174 -9.440 8.732 1.00 0.35 C ATOM 1636 O VAL A 119 0.963 -10.493 8.129 1.00 0.38 O ATOM 1637 CB VAL A 119 2.471 -9.969 10.796 1.00 0.40 C ATOM 1638 CG1 VAL A 119 3.646 -9.081 10.415 1.00 1.35 C ATOM 1639 CG2 VAL A 119 2.395 -10.149 12.305 1.00 1.31 C ATOM 0 H VAL A 119 0.067 -11.103 10.775 1.00 0.40 H new ATOM 0 HA VAL A 119 1.062 -8.345 10.569 1.00 0.36 H new ATOM 0 HB VAL A 119 2.626 -10.949 10.344 1.00 0.40 H new ATOM 0 HG11 VAL A 119 4.568 -9.510 10.806 1.00 1.35 H new ATOM 0 HG12 VAL A 119 3.711 -9.009 9.329 1.00 1.35 H new ATOM 0 HG13 VAL A 119 3.502 -8.086 10.836 1.00 1.35 H new ATOM 0 HG21 VAL A 119 3.335 -10.563 12.670 1.00 1.31 H new ATOM 0 HG22 VAL A 119 2.216 -9.184 12.778 1.00 1.31 H new ATOM 0 HG23 VAL A 119 1.580 -10.830 12.550 1.00 1.31 H new ATOM 1643 N TYR A 120 1.434 -8.289 8.120 1.00 0.38 N ATOM 1644 CA TYR A 120 1.497 -8.181 6.668 1.00 0.38 C ATOM 1645 C TYR A 120 2.835 -7.580 6.246 1.00 0.37 C ATOM 1646 O TYR A 120 3.169 -6.458 6.629 1.00 0.41 O ATOM 1647 CB TYR A 120 0.339 -7.310 6.165 1.00 0.43 C ATOM 1648 CG TYR A 120 0.264 -7.170 4.658 1.00 0.67 C ATOM 1649 CD1 TYR A 120 1.048 -6.237 3.990 1.00 0.96 C ATOM 1650 CD2 TYR A 120 -0.580 -7.978 3.904 1.00 0.77 C ATOM 1651 CE1 TYR A 120 0.990 -6.112 2.613 1.00 1.28 C ATOM 1652 CE2 TYR A 120 -0.642 -7.858 2.529 1.00 1.08 C ATOM 1653 CZ TYR A 120 0.106 -6.899 1.893 1.00 1.32 C ATOM 1654 OH TYR A 120 0.085 -6.803 0.519 1.00 1.67 O ATOM 0 H TYR A 120 1.606 -7.412 8.612 1.00 0.38 H new ATOM 0 HA TYR A 120 1.409 -9.175 6.229 1.00 0.38 H new ATOM 0 HB2 TYR A 120 -0.599 -7.733 6.525 1.00 0.43 H new ATOM 0 HB3 TYR A 120 0.431 -6.317 6.605 1.00 0.43 H new ATOM 0 HD1 TYR A 120 1.713 -5.600 4.554 1.00 0.96 H new ATOM 0 HD2 TYR A 120 -1.197 -8.711 4.401 1.00 0.77 H new ATOM 0 HE1 TYR A 120 1.629 -5.406 2.103 1.00 1.28 H new ATOM 0 HE2 TYR A 120 -1.277 -8.517 1.956 1.00 1.08 H new ATOM 0 HH TYR A 120 -0.587 -7.419 0.158 1.00 1.67 H new ATOM 1664 N LYS A 121 3.598 -8.329 5.456 1.00 0.35 N ATOM 1665 CA LYS A 121 4.900 -7.864 4.992 1.00 0.36 C ATOM 1666 C LYS A 121 5.024 -7.984 3.476 1.00 0.35 C ATOM 1667 O LYS A 121 4.852 -9.065 2.914 1.00 0.36 O ATOM 1668 CB LYS A 121 6.018 -8.659 5.668 1.00 0.39 C ATOM 1669 CG LYS A 121 7.413 -8.229 5.244 1.00 0.91 C ATOM 1670 CD LYS A 121 8.495 -9.008 5.978 1.00 1.08 C ATOM 1671 CE LYS A 121 8.469 -10.485 5.613 1.00 1.35 C ATOM 1672 NZ LYS A 121 9.583 -11.236 6.257 1.00 2.05 N ATOM 0 H LYS A 121 3.338 -9.258 5.125 1.00 0.35 H new ATOM 0 HA LYS A 121 4.992 -6.811 5.260 1.00 0.36 H new ATOM 0 HB2 LYS A 121 5.927 -8.551 6.749 1.00 0.39 H new ATOM 0 HB3 LYS A 121 5.888 -9.717 5.441 1.00 0.39 H new ATOM 0 HG2 LYS A 121 7.527 -8.374 4.170 1.00 0.91 H new ATOM 0 HG3 LYS A 121 7.539 -7.164 5.437 1.00 0.91 H new ATOM 0 HD2 LYS A 121 9.472 -8.590 5.736 1.00 1.08 H new ATOM 0 HD3 LYS A 121 8.358 -8.896 7.054 1.00 1.08 H new ATOM 0 HE2 LYS A 121 7.516 -10.917 5.917 1.00 1.35 H new ATOM 0 HE3 LYS A 121 8.537 -10.593 4.530 1.00 1.35 H new ATOM 0 HZ1 LYS A 121 9.281 -12.213 6.443 1.00 2.05 H new ATOM 0 HZ2 LYS A 121 10.408 -11.244 5.624 1.00 2.05 H new ATOM 0 HZ3 LYS A 121 9.839 -10.776 7.154 1.00 2.05 H new ATOM 1686 N ARG A 122 5.332 -6.868 2.822 1.00 0.35 N ATOM 1687 CA ARG A 122 5.490 -6.850 1.375 1.00 0.36 C ATOM 1688 C ARG A 122 6.944 -6.585 0.998 1.00 0.34 C ATOM 1689 O ARG A 122 7.524 -5.572 1.395 1.00 0.36 O ATOM 1690 CB ARG A 122 4.579 -5.792 0.745 1.00 0.39 C ATOM 1691 CG ARG A 122 4.922 -5.463 -0.700 1.00 0.73 C ATOM 1692 CD ARG A 122 3.933 -4.468 -1.291 1.00 0.64 C ATOM 1693 NE ARG A 122 3.783 -3.282 -0.451 1.00 1.23 N ATOM 1694 CZ ARG A 122 2.781 -2.417 -0.572 1.00 1.44 C ATOM 1695 NH1 ARG A 122 1.841 -2.606 -1.488 1.00 1.14 N ATOM 1696 NH2 ARG A 122 2.716 -1.362 0.229 1.00 2.32 N ATOM 0 H ARG A 122 5.477 -5.965 3.273 1.00 0.35 H new ATOM 0 HA ARG A 122 5.203 -7.828 0.990 1.00 0.36 H new ATOM 0 HB2 ARG A 122 3.547 -6.140 0.793 1.00 0.39 H new ATOM 0 HB3 ARG A 122 4.635 -4.879 1.338 1.00 0.39 H new ATOM 0 HG2 ARG A 122 5.930 -5.051 -0.752 1.00 0.73 H new ATOM 0 HG3 ARG A 122 4.920 -6.377 -1.294 1.00 0.73 H new ATOM 0 HD2 ARG A 122 4.269 -4.169 -2.284 1.00 0.64 H new ATOM 0 HD3 ARG A 122 2.963 -4.950 -1.414 1.00 0.64 H new ATOM 0 HE ARG A 122 4.486 -3.108 0.268 1.00 1.23 H new ATOM 0 HH11 ARG A 122 1.885 -3.418 -2.104 1.00 1.14 H new ATOM 0 HH12 ARG A 122 1.074 -1.939 -1.577 1.00 1.14 H new ATOM 0 HH21 ARG A 122 3.435 -1.215 0.938 1.00 2.32 H new ATOM 0 HH22 ARG A 122 1.947 -0.698 0.136 1.00 2.32 H new ATOM 1710 N VAL A 123 7.524 -7.506 0.235 1.00 0.32 N ATOM 1711 CA VAL A 123 8.905 -7.381 -0.209 1.00 0.32 C ATOM 1712 C VAL A 123 8.961 -6.929 -1.662 1.00 0.30 C ATOM 1713 O VAL A 123 8.452 -7.613 -2.549 1.00 0.33 O ATOM 1714 CB VAL A 123 9.665 -8.715 -0.069 1.00 0.36 C ATOM 1715 CG1 VAL A 123 11.116 -8.556 -0.503 1.00 0.41 C ATOM 1716 CG2 VAL A 123 9.584 -9.231 1.359 1.00 0.40 C ATOM 0 H VAL A 123 7.054 -8.351 -0.089 1.00 0.32 H new ATOM 0 HA VAL A 123 9.382 -6.636 0.427 1.00 0.32 H new ATOM 0 HB VAL A 123 9.193 -9.447 -0.724 1.00 0.36 H new ATOM 0 HG11 VAL A 123 11.634 -9.509 -0.396 1.00 0.41 H new ATOM 0 HG12 VAL A 123 11.151 -8.238 -1.545 1.00 0.41 H new ATOM 0 HG13 VAL A 123 11.602 -7.807 0.121 1.00 0.41 H new ATOM 0 HG21 VAL A 123 10.127 -10.173 1.437 1.00 0.40 H new ATOM 0 HG22 VAL A 123 10.027 -8.500 2.036 1.00 0.40 H new ATOM 0 HG23 VAL A 123 8.540 -9.390 1.630 1.00 0.40 H new ATOM 1720 N SER A 124 9.578 -5.779 -1.903 1.00 0.30 N ATOM 1721 CA SER A 124 9.687 -5.246 -3.254 1.00 0.31 C ATOM 1722 C SER A 124 11.125 -4.849 -3.572 1.00 0.32 C ATOM 1723 O SER A 124 11.822 -4.276 -2.734 1.00 0.36 O ATOM 1724 CB SER A 124 8.762 -4.041 -3.425 1.00 0.35 C ATOM 1725 OG SER A 124 9.172 -2.960 -2.607 1.00 1.14 O ATOM 0 H SER A 124 10.009 -5.199 -1.183 1.00 0.30 H new ATOM 0 HA SER A 124 9.386 -6.029 -3.950 1.00 0.31 H new ATOM 0 HB2 SER A 124 8.757 -3.729 -4.469 1.00 0.35 H new ATOM 0 HB3 SER A 124 7.740 -4.325 -3.172 1.00 0.35 H new ATOM 0 HG SER A 124 9.206 -3.252 -1.672 1.00 1.14 H new ATOM 1731 N LYS A 125 11.560 -5.156 -4.791 1.00 0.35 N ATOM 1732 CA LYS A 125 12.914 -4.833 -5.224 1.00 0.39 C ATOM 1733 C LYS A 125 12.892 -3.837 -6.381 1.00 0.35 C ATOM 1734 O LYS A 125 12.007 -3.880 -7.235 1.00 0.38 O ATOM 1735 CB LYS A 125 13.662 -6.106 -5.629 1.00 0.52 C ATOM 1736 CG LYS A 125 12.931 -6.950 -6.662 1.00 0.88 C ATOM 1737 CD LYS A 125 13.373 -6.617 -8.080 1.00 1.37 C ATOM 1738 CE LYS A 125 14.798 -7.076 -8.345 1.00 1.37 C ATOM 1739 NZ LYS A 125 15.225 -6.785 -9.742 1.00 2.04 N ATOM 0 H LYS A 125 10.994 -5.628 -5.496 1.00 0.35 H new ATOM 0 HA LYS A 125 13.438 -4.371 -4.388 1.00 0.39 H new ATOM 0 HB2 LYS A 125 14.639 -5.830 -6.025 1.00 0.52 H new ATOM 0 HB3 LYS A 125 13.838 -6.711 -4.739 1.00 0.52 H new ATOM 0 HG2 LYS A 125 13.113 -8.006 -6.463 1.00 0.88 H new ATOM 0 HG3 LYS A 125 11.857 -6.789 -6.569 1.00 0.88 H new ATOM 0 HD2 LYS A 125 12.699 -7.092 -8.793 1.00 1.37 H new ATOM 0 HD3 LYS A 125 13.301 -5.541 -8.241 1.00 1.37 H new ATOM 0 HE2 LYS A 125 15.474 -6.581 -7.648 1.00 1.37 H new ATOM 0 HE3 LYS A 125 14.875 -8.147 -8.158 1.00 1.37 H new ATOM 0 HZ1 LYS A 125 16.154 -7.217 -9.918 1.00 2.04 H new ATOM 0 HZ2 LYS A 125 14.529 -7.178 -10.407 1.00 2.04 H new ATOM 0 HZ3 LYS A 125 15.290 -5.756 -9.878 1.00 2.04 H new ATOM 1753 N ARG A 126 13.873 -2.941 -6.399 1.00 0.37 N ATOM 1754 CA ARG A 126 13.970 -1.926 -7.442 1.00 0.40 C ATOM 1755 C ARG A 126 14.380 -2.544 -8.775 1.00 0.44 C ATOM 1756 O ARG A 126 15.308 -3.352 -8.837 1.00 0.52 O ATOM 1757 CB ARG A 126 14.975 -0.846 -7.036 1.00 0.51 C ATOM 1758 CG ARG A 126 15.037 0.327 -7.999 1.00 0.63 C ATOM 1759 CD ARG A 126 16.044 1.371 -7.541 1.00 1.14 C ATOM 1760 NE ARG A 126 17.405 0.842 -7.501 1.00 1.70 N ATOM 1761 CZ ARG A 126 18.459 1.545 -7.093 1.00 2.27 C ATOM 1762 NH1 ARG A 126 18.309 2.799 -6.691 1.00 2.51 N ATOM 1763 NH2 ARG A 126 19.664 0.991 -7.089 1.00 3.09 N ATOM 0 H ARG A 126 14.615 -2.897 -5.700 1.00 0.37 H new ATOM 0 HA ARG A 126 12.986 -1.473 -7.564 1.00 0.40 H new ATOM 0 HB2 ARG A 126 14.716 -0.476 -6.044 1.00 0.51 H new ATOM 0 HB3 ARG A 126 15.966 -1.295 -6.960 1.00 0.51 H new ATOM 0 HG2 ARG A 126 15.308 -0.030 -8.992 1.00 0.63 H new ATOM 0 HG3 ARG A 126 14.051 0.783 -8.082 1.00 0.63 H new ATOM 0 HD2 ARG A 126 16.008 2.228 -8.214 1.00 1.14 H new ATOM 0 HD3 ARG A 126 15.767 1.732 -6.550 1.00 1.14 H new ATOM 0 HE ARG A 126 17.556 -0.121 -7.803 1.00 1.70 H new ATOM 0 HH11 ARG A 126 17.384 3.228 -6.694 1.00 2.51 H new ATOM 0 HH12 ARG A 126 19.119 3.335 -6.379 1.00 2.51 H new ATOM 0 HH21 ARG A 126 19.783 0.026 -7.399 1.00 3.09 H new ATOM 0 HH22 ARG A 126 20.472 1.530 -6.776 1.00 3.09 H new ATOM 1777 N ILE A 127 13.682 -2.158 -9.841 1.00 0.48 N ATOM 1778 CA ILE A 127 13.975 -2.668 -11.176 1.00 0.58 C ATOM 1779 C ILE A 127 14.219 -1.526 -12.158 1.00 0.75 C ATOM 1780 O ILE A 127 15.363 -1.154 -12.420 1.00 1.31 O ATOM 1781 CB ILE A 127 12.830 -3.551 -11.710 1.00 0.76 C ATOM 1782 CG1 ILE A 127 11.495 -2.807 -11.621 1.00 0.82 C ATOM 1783 CG2 ILE A 127 12.772 -4.860 -10.936 1.00 1.23 C ATOM 1784 CD1 ILE A 127 10.347 -3.537 -12.285 1.00 1.21 C ATOM 0 H ILE A 127 12.909 -1.493 -9.805 1.00 0.48 H new ATOM 0 HA ILE A 127 14.878 -3.273 -11.090 1.00 0.58 H new ATOM 0 HB ILE A 127 13.022 -3.779 -12.758 1.00 0.76 H new ATOM 0 HG12 ILE A 127 11.251 -2.641 -10.572 1.00 0.82 H new ATOM 0 HG13 ILE A 127 11.605 -1.825 -12.082 1.00 0.82 H new ATOM 0 HG21 ILE A 127 11.959 -5.475 -11.322 1.00 1.23 H new ATOM 0 HG22 ILE A 127 13.716 -5.392 -11.050 1.00 1.23 H new ATOM 0 HG23 ILE A 127 12.599 -4.651 -9.880 1.00 1.23 H new ATOM 0 HD11 ILE A 127 9.434 -2.950 -12.182 1.00 1.21 H new ATOM 0 HD12 ILE A 127 10.569 -3.679 -13.343 1.00 1.21 H new ATOM 0 HD13 ILE A 127 10.210 -4.508 -11.809 1.00 1.21 H new TER 1788 ILE A 127 HETATM 1789 C1 OLA A 128 -10.784 -11.066 -10.861 1.00 4.80 C HETATM 1790 O1 OLA A 128 -11.588 -10.191 -11.247 1.00 5.27 O HETATM 1791 O2 OLA A 128 -11.141 -12.120 -10.294 1.00 5.34 O HETATM 1792 C2 OLA A 128 -9.300 -10.777 -10.973 1.00 3.99 C HETATM 1793 C3 OLA A 128 -8.830 -9.739 -9.968 1.00 2.99 C HETATM 1794 C4 OLA A 128 -8.226 -8.525 -10.656 1.00 2.27 C HETATM 1795 C5 OLA A 128 -7.073 -7.945 -9.854 1.00 1.37 C HETATM 1796 C6 OLA A 128 -7.572 -7.136 -8.668 1.00 1.21 C HETATM 1797 C7 OLA A 128 -7.082 -7.714 -7.351 1.00 1.40 C HETATM 1798 C8 OLA A 128 -7.250 -6.724 -6.211 1.00 1.72 C HETATM 1799 C9 OLA A 128 -6.540 -7.190 -5.055 1.00 2.12 C HETATM 1800 C10 OLA A 128 -6.532 -6.446 -3.881 1.00 2.24 C HETATM 1801 C11 OLA A 128 -7.236 -5.196 -3.802 1.00 1.95 C HETATM 1802 C12 OLA A 128 -7.283 -4.722 -2.359 1.00 1.93 C HETATM 1803 C13 OLA A 128 -6.545 -3.405 -2.181 1.00 2.05 C HETATM 1804 C14 OLA A 128 -7.511 -2.241 -2.031 1.00 2.14 C HETATM 1805 C15 OLA A 128 -7.159 -1.099 -2.971 1.00 2.46 C HETATM 1806 C16 OLA A 128 -6.682 0.125 -2.205 1.00 2.76 C HETATM 1807 C17 OLA A 128 -7.830 1.075 -1.905 1.00 3.48 C HETATM 1808 C18 OLA A 128 -7.531 2.448 -2.465 1.00 4.18 C HETATM 0 H183 OLA A 128 -6.619 2.836 -2.011 1.00 4.18 H new HETATM 0 H182 OLA A 128 -7.398 2.379 -3.545 1.00 4.18 H new HETATM 0 H181 OLA A 128 -8.360 3.120 -2.244 1.00 4.18 H new HETATM 0 H172 OLA A 128 -8.753 0.690 -2.339 1.00 3.48 H new HETATM 0 H171 OLA A 128 -7.987 1.139 -0.828 1.00 3.48 H new HETATM 0 H162 OLA A 128 -6.214 -0.188 -1.272 1.00 2.76 H new HETATM 0 H161 OLA A 128 -5.920 0.645 -2.785 1.00 2.76 H new HETATM 0 H152 OLA A 128 -6.382 -1.422 -3.663 1.00 2.46 H new HETATM 0 H151 OLA A 128 -8.031 -0.838 -3.571 1.00 2.46 H new HETATM 0 H142 OLA A 128 -8.526 -2.581 -2.235 1.00 2.14 H new HETATM 0 H141 OLA A 128 -7.495 -1.884 -1.001 1.00 2.14 H new HETATM 0 H132 OLA A 128 -5.903 -3.462 -1.302 1.00 2.05 H new HETATM 0 H131 OLA A 128 -5.895 -3.232 -3.039 1.00 2.05 H new HETATM 0 H122 OLA A 128 -8.321 -4.604 -2.047 1.00 1.93 H new HETATM 0 H121 OLA A 128 -6.840 -5.479 -1.712 1.00 1.93 H new HETATM 0 H112 OLA A 128 -6.741 -4.450 -4.424 1.00 1.95 H new HETATM 0 H111 OLA A 128 -8.248 -5.313 -4.189 1.00 1.95 H new HETATM 0 HO2 OLA A 128 -12.031 -12.377 -10.612 1.00 5.34 H new HETATM 0 H9 OLA A 128 -6.002 -8.137 -5.098 1.00 2.12 H new HETATM 0 H82 OLA A 128 -6.875 -5.745 -6.509 1.00 1.72 H new HETATM 0 H81 OLA A 128 -8.307 -6.602 -5.975 1.00 1.72 H new HETATM 0 H72 OLA A 128 -7.633 -8.627 -7.126 1.00 1.40 H new HETATM 0 H71 OLA A 128 -6.032 -7.990 -7.442 1.00 1.40 H new HETATM 0 H62 OLA A 128 -7.233 -6.104 -8.762 1.00 1.21 H new HETATM 0 H61 OLA A 128 -8.662 -7.115 -8.674 1.00 1.21 H new HETATM 0 H52 OLA A 128 -6.431 -8.752 -9.501 1.00 1.37 H new HETATM 0 H51 OLA A 128 -6.463 -7.311 -10.498 1.00 1.37 H new HETATM 0 H42 OLA A 128 -7.875 -8.806 -11.649 1.00 2.27 H new HETATM 0 H41 OLA A 128 -8.994 -7.764 -10.793 1.00 2.27 H new HETATM 0 H32 OLA A 128 -9.670 -9.426 -9.348 1.00 2.99 H new HETATM 0 H31 OLA A 128 -8.091 -10.185 -9.302 1.00 2.99 H new HETATM 0 H22 OLA A 128 -8.741 -11.701 -10.824 1.00 3.99 H new HETATM 0 H21 OLA A 128 -9.076 -10.429 -11.981 1.00 3.99 H new HETATM 0 H10 OLA A 128 -5.987 -6.814 -3.012 1.00 2.24 H new HETATM 1842 C1 OLA A 129 5.376 1.371 -2.013 1.00 2.32 C HETATM 1843 O1 OLA A 129 4.167 1.232 -2.297 1.00 2.82 O HETATM 1844 O2 OLA A 129 6.300 0.926 -2.725 1.00 2.88 O HETATM 1845 C2 OLA A 129 5.737 2.052 -0.706 1.00 1.83 C HETATM 1846 C3 OLA A 129 4.644 2.983 -0.207 1.00 1.51 C HETATM 1847 C4 OLA A 129 3.993 2.449 1.058 1.00 1.30 C HETATM 1848 C5 OLA A 129 3.549 3.578 1.973 1.00 1.27 C HETATM 1849 C6 OLA A 129 2.033 3.666 2.056 1.00 1.29 C HETATM 1850 C7 OLA A 129 1.534 5.038 1.636 1.00 1.40 C HETATM 1851 C8 OLA A 129 0.061 5.221 1.965 1.00 1.59 C HETATM 1852 C9 OLA A 129 -0.740 4.810 0.845 1.00 1.46 C HETATM 1853 C10 OLA A 129 -2.124 4.930 0.872 1.00 1.19 C HETATM 1854 C11 OLA A 129 -2.796 5.466 2.024 1.00 1.04 C HETATM 1855 C12 OLA A 129 -3.105 4.350 3.008 1.00 1.25 C HETATM 1856 C13 OLA A 129 -4.508 3.801 2.806 1.00 1.80 C HETATM 1857 C14 OLA A 129 -4.481 2.341 2.382 1.00 2.20 C HETATM 1858 C15 OLA A 129 -4.953 2.166 0.947 1.00 2.16 C HETATM 1859 C16 OLA A 129 -4.110 1.143 0.204 1.00 2.10 C HETATM 1860 C17 OLA A 129 -3.589 1.699 -1.113 1.00 1.84 C HETATM 1861 C18 OLA A 129 -2.077 1.732 -1.105 1.00 2.46 C HETATM 0 H183 OLA A 129 -1.731 2.366 -0.289 1.00 2.46 H new HETATM 0 H182 OLA A 129 -1.692 0.722 -0.968 1.00 2.46 H new HETATM 0 H181 OLA A 129 -1.717 2.132 -2.053 1.00 2.46 H new HETATM 0 H172 OLA A 129 -3.942 1.084 -1.941 1.00 1.84 H new HETATM 0 H171 OLA A 129 -3.981 2.703 -1.272 1.00 1.84 H new HETATM 0 H162 OLA A 129 -3.270 0.839 0.829 1.00 2.10 H new HETATM 0 H161 OLA A 129 -4.705 0.250 0.013 1.00 2.10 H new HETATM 0 H152 OLA A 129 -5.997 1.852 0.942 1.00 2.16 H new HETATM 0 H151 OLA A 129 -4.906 3.123 0.428 1.00 2.16 H new HETATM 0 H142 OLA A 129 -3.468 1.951 2.483 1.00 2.20 H new HETATM 0 H141 OLA A 129 -5.115 1.756 3.048 1.00 2.20 H new HETATM 0 H132 OLA A 129 -5.076 3.902 3.731 1.00 1.80 H new HETATM 0 H131 OLA A 129 -5.025 4.391 2.049 1.00 1.80 H new HETATM 0 H122 OLA A 129 -2.378 3.547 2.888 1.00 1.25 H new HETATM 0 H121 OLA A 129 -3.003 4.723 4.027 1.00 1.25 H new HETATM 0 H112 OLA A 129 -2.172 6.221 2.501 1.00 1.04 H new HETATM 0 H111 OLA A 129 -3.719 5.961 1.720 1.00 1.04 H new HETATM 0 HO2 OLA A 129 6.632 0.087 -2.343 1.00 2.88 H new HETATM 0 H9 OLA A 129 -0.254 4.398 -0.039 1.00 1.46 H new HETATM 0 H82 OLA A 129 -0.200 4.635 2.846 1.00 1.59 H new HETATM 0 H81 OLA A 129 -0.141 6.265 2.205 1.00 1.59 H new HETATM 0 H72 OLA A 129 2.118 5.808 2.139 1.00 1.40 H new HETATM 0 H71 OLA A 129 1.688 5.170 0.565 1.00 1.40 H new HETATM 0 H62 OLA A 129 1.587 2.904 1.417 1.00 1.29 H new HETATM 0 H61 OLA A 129 1.710 3.456 3.076 1.00 1.29 H new HETATM 0 H52 OLA A 129 3.960 3.422 2.970 1.00 1.27 H new HETATM 0 H51 OLA A 129 3.950 4.523 1.607 1.00 1.27 H new HETATM 0 H42 OLA A 129 3.133 1.833 0.794 1.00 1.30 H new HETATM 0 H41 OLA A 129 4.696 1.805 1.587 1.00 1.30 H new HETATM 0 H32 OLA A 129 5.065 3.969 -0.012 1.00 1.51 H new HETATM 0 H31 OLA A 129 3.888 3.107 -0.982 1.00 1.51 H new HETATM 0 H22 OLA A 129 5.936 1.293 0.051 1.00 1.83 H new HETATM 0 H21 OLA A 129 6.658 2.619 -0.839 1.00 1.83 H new HETATM 0 H10 OLA A 129 -2.708 4.613 0.008 1.00 1.19 H new