USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 772 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 LYS NZ :NH3+ -122:sc= 0.611 (180deg=-0.483) USER MOD Set 1.2: A 110 THR OG1 : rot 160:sc= 0 USER MOD Set 2.1: A 34 MET CE :methyl -115:sc= -1.58 (180deg=-5.69!) USER MOD Set 2.2: A 59 TYR OH : rot -34:sc= -4.31! USER MOD Set 3.1: A 29 SER OG : rot 44:sc= 1.99 USER MOD Set 3.2: A 66 TYR OH : rot -155:sc= 1.17 USER MOD Set 4.1: A 20 SER OG : rot 180:sc= 0.00667 USER MOD Set 4.2: A 21 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 18 ASN : amide:sc= -0.618 X(o=-3.2,f=-2.7) USER MOD Set 5.2: A 69 ASN : amide:sc= -2.55! C(o=-3.2!,f=-9.3!) USER MOD Single : A 15 GLN : amide:sc= -0.397 K(o=-0.4,f=-1.1) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 152:sc= 0.0398 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -100:sc= -0.306 USER MOD Single : A 78 THR OG1 : rot 76:sc= 1.29 USER MOD Single : A 79 GLN : amide:sc= 0.0414 X(o=0.041,f=-0.024) USER MOD Single : A 80 TYR OH : rot 150:sc= 0.253 USER MOD Single : A 81 ASN : amide:sc= -0.461 K(o=-0.46,f=-1.7!) USER MOD Single : A 84 SER OG : rot -8:sc= 1.03 USER MOD Single : A 87 THR OG1 : rot -50:sc= 1.1 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 1.62 K(o=1.6,f=-4.4!) USER MOD Single : A 97 LYS NZ :NH3+ -154:sc= -0.893 (180deg=-1.94!) USER MOD Single : A 99 SER OG : rot 150:sc= -0.0214 USER MOD Single : A 107 SER OG : rot 180:sc= 0.0207 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 112 SER OG : rot 75:sc= 0.343 USER MOD Single : A 115 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.083) USER MOD Single : A 116 TYR OH : rot -129:sc= -0.456 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -2.210 -3.761 -9.013 1.00 0.00 N ATOM 2 CA VAL A 14 -3.317 -2.944 -9.547 1.00 0.00 C ATOM 3 C VAL A 14 -2.863 -1.487 -9.744 1.00 0.00 C ATOM 4 O VAL A 14 -2.023 -0.980 -8.999 1.00 0.00 O ATOM 5 CB VAL A 14 -4.566 -3.066 -8.639 1.00 0.00 C ATOM 6 CG1 VAL A 14 -4.523 -2.197 -7.381 1.00 0.00 C ATOM 7 CG2 VAL A 14 -5.852 -2.792 -9.413 1.00 0.00 C ATOM 0 HA VAL A 14 -3.603 -3.321 -10.529 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.555 -4.102 -8.299 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.436 -2.345 -6.805 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.662 -2.477 -6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.440 -1.148 -7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.707 -2.887 -8.743 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.822 -1.782 -9.823 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.947 -3.511 -10.227 1.00 0.00 H new ATOM 17 N GLN A 15 -3.432 -0.856 -10.761 1.00 0.00 N ATOM 18 CA GLN A 15 -3.274 0.595 -10.992 1.00 0.00 C ATOM 19 C GLN A 15 -3.976 1.372 -9.866 1.00 0.00 C ATOM 20 O GLN A 15 -3.380 2.196 -9.181 1.00 0.00 O ATOM 21 CB GLN A 15 -3.779 0.906 -12.403 1.00 0.00 C ATOM 22 CG GLN A 15 -3.458 2.319 -12.892 1.00 0.00 C ATOM 23 CD GLN A 15 -4.410 3.383 -12.330 1.00 0.00 C ATOM 24 OE1 GLN A 15 -5.611 3.201 -12.200 1.00 0.00 O ATOM 25 NE2 GLN A 15 -3.868 4.523 -11.963 1.00 0.00 N ATOM 0 H GLN A 15 -4.017 -1.323 -11.454 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.232 0.914 -10.953 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.345 0.187 -13.098 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.859 0.762 -12.429 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -2.435 2.570 -12.611 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.503 2.339 -13.981 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.865 4.670 -12.074 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.451 5.261 -11.567 1.00 0.00 H new ATOM 34 N ASP A 16 -5.248 1.085 -9.694 1.00 0.00 N ATOM 35 CA ASP A 16 -6.091 1.610 -8.594 1.00 0.00 C ATOM 36 C ASP A 16 -7.224 0.652 -8.220 1.00 0.00 C ATOM 37 O ASP A 16 -8.001 0.234 -9.077 1.00 0.00 O ATOM 38 CB ASP A 16 -6.606 3.020 -8.917 1.00 0.00 C ATOM 39 CG ASP A 16 -5.579 4.104 -8.568 1.00 0.00 C ATOM 40 OD1 ASP A 16 -5.446 5.060 -9.373 1.00 0.00 O ATOM 41 OD2 ASP A 16 -5.054 4.079 -7.422 1.00 0.00 O ATOM 0 H ASP A 16 -5.757 0.464 -10.323 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.458 1.687 -7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.851 3.082 -9.977 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.528 3.204 -8.365 1.00 0.00 H new ATOM 47 N VAL A 17 -7.174 0.210 -6.963 1.00 0.00 N ATOM 48 CA VAL A 17 -8.154 -0.750 -6.409 1.00 0.00 C ATOM 49 C VAL A 17 -9.559 -0.131 -6.256 1.00 0.00 C ATOM 50 O VAL A 17 -10.474 -0.498 -6.987 1.00 0.00 O ATOM 51 CB VAL A 17 -7.742 -1.442 -5.097 1.00 0.00 C ATOM 52 CG1 VAL A 17 -7.856 -2.956 -5.292 1.00 0.00 C ATOM 53 CG2 VAL A 17 -6.365 -1.138 -4.502 1.00 0.00 C ATOM 0 H VAL A 17 -6.460 0.500 -6.295 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.179 -1.536 -7.164 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.432 -1.020 -4.366 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.568 -3.464 -4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.885 -3.214 -5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.196 -3.269 -6.101 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.233 -1.706 -3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.590 -1.419 -5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.289 -0.072 -4.285 1.00 0.00 H new ATOM 63 N ASN A 18 -9.710 0.750 -5.260 1.00 0.00 N ATOM 64 CA ASN A 18 -10.961 1.433 -4.885 1.00 0.00 C ATOM 65 C ASN A 18 -12.077 0.440 -4.523 1.00 0.00 C ATOM 66 O ASN A 18 -11.926 -0.765 -4.694 1.00 0.00 O ATOM 67 CB ASN A 18 -11.417 2.400 -6.000 1.00 0.00 C ATOM 68 CG ASN A 18 -10.338 3.433 -6.356 1.00 0.00 C ATOM 69 OD1 ASN A 18 -9.839 4.188 -5.538 1.00 0.00 O ATOM 70 ND2 ASN A 18 -9.908 3.415 -7.593 1.00 0.00 N ATOM 0 H ASN A 18 -8.928 1.021 -4.663 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.752 2.018 -3.989 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.676 1.827 -6.891 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.321 2.918 -5.680 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.150 4.035 -7.879 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.331 2.781 -8.271 1.00 0.00 H new ATOM 77 N ASP A 19 -13.137 0.947 -3.903 1.00 0.00 N ATOM 78 CA ASP A 19 -14.327 0.143 -3.533 1.00 0.00 C ATOM 79 C ASP A 19 -14.758 -0.904 -4.573 1.00 0.00 C ATOM 80 O ASP A 19 -14.896 -2.081 -4.233 1.00 0.00 O ATOM 81 CB ASP A 19 -15.532 1.039 -3.200 1.00 0.00 C ATOM 82 CG ASP A 19 -15.443 1.608 -1.784 1.00 0.00 C ATOM 83 OD1 ASP A 19 -14.871 2.720 -1.644 1.00 0.00 O ATOM 84 OD2 ASP A 19 -15.898 0.925 -0.843 1.00 0.00 O ATOM 0 H ASP A 19 -13.209 1.929 -3.636 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.002 -0.409 -2.651 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.586 1.858 -3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.452 0.464 -3.303 1.00 0.00 H new ATOM 90 N SER A 20 -14.665 -0.501 -5.844 1.00 0.00 N ATOM 91 CA SER A 20 -14.951 -1.308 -7.052 1.00 0.00 C ATOM 92 C SER A 20 -14.257 -2.670 -7.120 1.00 0.00 C ATOM 93 O SER A 20 -14.912 -3.677 -7.398 1.00 0.00 O ATOM 94 CB SER A 20 -14.545 -0.470 -8.275 1.00 0.00 C ATOM 95 OG SER A 20 -13.265 0.132 -8.057 1.00 0.00 O ATOM 0 H SER A 20 -14.373 0.448 -6.079 1.00 0.00 H new ATOM 0 HA SER A 20 -16.015 -1.542 -7.024 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.512 -1.101 -9.163 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.292 0.302 -8.460 1.00 0.00 H new ATOM 0 HG SER A 20 -13.015 0.662 -8.842 1.00 0.00 H new ATOM 101 N SER A 21 -12.966 -2.698 -6.827 1.00 0.00 N ATOM 102 CA SER A 21 -12.136 -3.920 -6.968 1.00 0.00 C ATOM 103 C SER A 21 -11.648 -4.513 -5.642 1.00 0.00 C ATOM 104 O SER A 21 -11.298 -5.692 -5.587 1.00 0.00 O ATOM 105 CB SER A 21 -10.910 -3.614 -7.825 1.00 0.00 C ATOM 106 OG SER A 21 -11.310 -2.889 -8.995 1.00 0.00 O ATOM 0 H SER A 21 -12.451 -1.887 -6.485 1.00 0.00 H new ATOM 0 HA SER A 21 -12.789 -4.660 -7.431 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.190 -3.030 -7.252 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.413 -4.541 -8.111 1.00 0.00 H new ATOM 0 HG SER A 21 -10.522 -2.692 -9.543 1.00 0.00 H new ATOM 112 N TRP A 22 -11.785 -3.740 -4.566 1.00 0.00 N ATOM 113 CA TRP A 22 -11.288 -4.065 -3.216 1.00 0.00 C ATOM 114 C TRP A 22 -11.625 -5.488 -2.750 1.00 0.00 C ATOM 115 O TRP A 22 -10.736 -6.299 -2.472 1.00 0.00 O ATOM 116 CB TRP A 22 -11.892 -3.001 -2.286 1.00 0.00 C ATOM 117 CG TRP A 22 -11.317 -3.091 -0.881 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.844 -3.773 0.137 1.00 0.00 C ATOM 119 CD2 TRP A 22 -10.123 -2.541 -0.436 1.00 0.00 C ATOM 120 NE1 TRP A 22 -11.040 -3.698 1.196 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.965 -2.988 0.887 1.00 0.00 C ATOM 122 CE3 TRP A 22 -9.088 -1.828 -1.086 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.760 -2.753 1.578 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.873 -1.628 -0.419 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.709 -2.096 0.909 1.00 0.00 C ATOM 0 H TRP A 22 -12.260 -2.838 -4.604 1.00 0.00 H new ATOM 0 HA TRP A 22 -10.198 -4.048 -3.208 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.700 -2.009 -2.695 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.974 -3.125 -2.245 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.783 -4.306 0.107 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -11.224 -4.122 2.105 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.233 -1.443 -2.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.644 -3.071 2.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.061 -1.117 -0.916 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.766 -1.947 1.414 1.00 0.00 H new ATOM 136 N LYS A 23 -12.891 -5.850 -2.907 1.00 0.00 N ATOM 137 CA LYS A 23 -13.425 -7.142 -2.443 1.00 0.00 C ATOM 138 C LYS A 23 -13.077 -8.380 -3.259 1.00 0.00 C ATOM 139 O LYS A 23 -13.346 -9.516 -2.872 1.00 0.00 O ATOM 140 CB LYS A 23 -14.922 -7.019 -2.217 1.00 0.00 C ATOM 141 CG LYS A 23 -15.042 -6.150 -0.974 1.00 0.00 C ATOM 142 CD LYS A 23 -16.481 -5.908 -0.566 1.00 0.00 C ATOM 143 CE LYS A 23 -16.417 -5.043 0.688 1.00 0.00 C ATOM 144 NZ LYS A 23 -17.776 -4.567 0.934 1.00 0.00 N ATOM 0 H LYS A 23 -13.587 -5.259 -3.361 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.899 -7.335 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.418 -6.560 -3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.384 -7.995 -2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.510 -6.626 -0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.555 -5.192 -1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -17.033 -5.405 -1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.994 -6.849 -0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.048 -5.618 1.537 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.733 -4.206 0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.786 -3.969 1.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.103 -4.013 0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.408 -5.380 1.076 1.00 0.00 H new ATOM 158 N GLU A 24 -12.455 -8.129 -4.410 1.00 0.00 N ATOM 159 CA GLU A 24 -11.983 -9.186 -5.308 1.00 0.00 C ATOM 160 C GLU A 24 -10.459 -9.255 -5.267 1.00 0.00 C ATOM 161 O GLU A 24 -9.948 -10.261 -4.818 1.00 0.00 O ATOM 162 CB GLU A 24 -12.458 -8.913 -6.738 1.00 0.00 C ATOM 163 CG GLU A 24 -13.981 -8.853 -6.663 1.00 0.00 C ATOM 164 CD GLU A 24 -14.594 -8.345 -7.963 1.00 0.00 C ATOM 165 OE1 GLU A 24 -15.126 -9.190 -8.713 1.00 0.00 O ATOM 166 OE2 GLU A 24 -14.595 -7.101 -8.116 1.00 0.00 O ATOM 0 H GLU A 24 -12.263 -7.186 -4.748 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.392 -10.141 -4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.047 -7.976 -7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.130 -9.701 -7.417 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.373 -9.845 -6.440 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.279 -8.201 -5.842 1.00 0.00 H new ATOM 174 N PHE A 25 -9.830 -8.087 -5.360 1.00 0.00 N ATOM 175 CA PHE A 25 -8.369 -7.945 -5.385 1.00 0.00 C ATOM 176 C PHE A 25 -7.642 -8.041 -4.049 1.00 0.00 C ATOM 177 O PHE A 25 -6.905 -8.978 -3.787 1.00 0.00 O ATOM 178 CB PHE A 25 -8.003 -6.673 -6.154 1.00 0.00 C ATOM 179 CG PHE A 25 -8.000 -6.913 -7.671 1.00 0.00 C ATOM 180 CD1 PHE A 25 -9.195 -6.869 -8.421 1.00 0.00 C ATOM 181 CD2 PHE A 25 -6.748 -7.061 -8.311 1.00 0.00 C ATOM 182 CE1 PHE A 25 -9.138 -6.934 -9.827 1.00 0.00 C ATOM 183 CE2 PHE A 25 -6.693 -7.135 -9.716 1.00 0.00 C ATOM 184 CZ PHE A 25 -7.886 -7.071 -10.459 1.00 0.00 C ATOM 0 H PHE A 25 -10.324 -7.197 -5.421 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.001 -8.831 -5.902 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.713 -5.883 -5.911 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.019 -6.326 -5.838 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -10.148 -6.786 -7.920 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.841 -7.117 -7.727 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -10.043 -6.879 -10.414 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.743 -7.240 -10.219 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.841 -7.128 -11.537 1.00 0.00 H new ATOM 194 N VAL A 26 -8.178 -7.285 -3.100 1.00 0.00 N ATOM 195 CA VAL A 26 -7.575 -7.182 -1.759 1.00 0.00 C ATOM 196 C VAL A 26 -8.124 -8.281 -0.850 1.00 0.00 C ATOM 197 O VAL A 26 -7.375 -8.858 -0.058 1.00 0.00 O ATOM 198 CB VAL A 26 -7.724 -5.770 -1.162 1.00 0.00 C ATOM 199 CG1 VAL A 26 -7.175 -5.678 0.263 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.996 -4.755 -2.049 1.00 0.00 C ATOM 0 H VAL A 26 -9.026 -6.732 -3.224 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.500 -7.341 -1.849 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.790 -5.548 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.304 -4.663 0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.714 -6.374 0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.115 -5.932 0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.103 -3.757 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.939 -5.014 -2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.427 -4.771 -3.050 1.00 0.00 H new ATOM 210 N LEU A 27 -9.423 -8.552 -0.977 1.00 0.00 N ATOM 211 CA LEU A 27 -10.059 -9.639 -0.213 1.00 0.00 C ATOM 212 C LEU A 27 -9.822 -11.028 -0.814 1.00 0.00 C ATOM 213 O LEU A 27 -10.159 -12.034 -0.192 1.00 0.00 O ATOM 214 CB LEU A 27 -11.521 -9.310 0.094 1.00 0.00 C ATOM 215 CG LEU A 27 -11.672 -8.423 1.348 1.00 0.00 C ATOM 216 CD1 LEU A 27 -11.013 -7.049 1.231 1.00 0.00 C ATOM 217 CD2 LEU A 27 -13.148 -8.253 1.686 1.00 0.00 C ATOM 0 H LEU A 27 -10.055 -8.042 -1.594 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.557 -9.702 0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.964 -8.802 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.077 -10.236 0.238 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.145 -8.945 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.167 -6.492 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.944 -7.172 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.457 -6.502 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.249 -7.626 2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.661 -7.782 0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.592 -9.230 1.880 1.00 0.00 H new ATOM 229 N GLU A 28 -9.201 -11.067 -1.995 1.00 0.00 N ATOM 230 CA GLU A 28 -8.761 -12.316 -2.644 1.00 0.00 C ATOM 231 C GLU A 28 -7.626 -12.112 -3.662 1.00 0.00 C ATOM 232 O GLU A 28 -7.781 -11.439 -4.676 1.00 0.00 O ATOM 233 CB GLU A 28 -9.954 -12.996 -3.349 1.00 0.00 C ATOM 234 CG GLU A 28 -10.180 -14.444 -2.927 1.00 0.00 C ATOM 235 CD GLU A 28 -9.128 -15.422 -3.458 1.00 0.00 C ATOM 236 OE1 GLU A 28 -8.055 -15.495 -2.824 1.00 0.00 O ATOM 237 OE2 GLU A 28 -9.429 -16.121 -4.447 1.00 0.00 O ATOM 0 H GLU A 28 -8.985 -10.230 -2.536 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.370 -12.949 -1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.858 -12.423 -3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.793 -12.963 -4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.192 -14.496 -1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.164 -14.762 -3.272 1.00 0.00 H new ATOM 245 N SER A 29 -6.414 -12.441 -3.259 1.00 0.00 N ATOM 246 CA SER A 29 -5.299 -12.586 -4.231 1.00 0.00 C ATOM 247 C SER A 29 -4.649 -13.962 -4.130 1.00 0.00 C ATOM 248 O SER A 29 -3.632 -14.248 -4.761 1.00 0.00 O ATOM 249 CB SER A 29 -4.253 -11.507 -4.000 1.00 0.00 C ATOM 250 OG SER A 29 -4.749 -10.260 -4.471 1.00 0.00 O ATOM 0 H SER A 29 -6.158 -12.615 -2.287 1.00 0.00 H new ATOM 0 HA SER A 29 -5.717 -12.477 -5.232 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.014 -11.438 -2.939 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.329 -11.763 -4.519 1.00 0.00 H new ATOM 0 HG SER A 29 -5.682 -10.153 -4.192 1.00 0.00 H new ATOM 256 N GLU A 30 -5.302 -14.808 -3.344 1.00 0.00 N ATOM 257 CA GLU A 30 -4.896 -16.134 -2.820 1.00 0.00 C ATOM 258 C GLU A 30 -3.760 -16.005 -1.798 1.00 0.00 C ATOM 259 O GLU A 30 -3.848 -16.431 -0.646 1.00 0.00 O ATOM 260 CB GLU A 30 -4.509 -17.133 -3.921 1.00 0.00 C ATOM 261 CG GLU A 30 -5.505 -18.292 -3.942 1.00 0.00 C ATOM 262 CD GLU A 30 -5.153 -19.379 -4.966 1.00 0.00 C ATOM 263 OE1 GLU A 30 -5.523 -20.538 -4.692 1.00 0.00 O ATOM 264 OE2 GLU A 30 -4.565 -19.049 -6.012 1.00 0.00 O ATOM 0 H GLU A 30 -6.236 -14.567 -3.013 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.779 -16.537 -2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.497 -16.634 -4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.502 -17.510 -3.745 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.551 -18.740 -2.949 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.499 -17.903 -4.163 1.00 0.00 H new ATOM 272 N VAL A 31 -2.843 -15.152 -2.215 1.00 0.00 N ATOM 273 CA VAL A 31 -1.620 -14.724 -1.507 1.00 0.00 C ATOM 274 C VAL A 31 -1.971 -13.581 -0.533 1.00 0.00 C ATOM 275 O VAL A 31 -2.924 -12.829 -0.805 1.00 0.00 O ATOM 276 CB VAL A 31 -0.578 -14.248 -2.555 1.00 0.00 C ATOM 277 CG1 VAL A 31 -0.227 -15.380 -3.521 1.00 0.00 C ATOM 278 CG2 VAL A 31 -1.025 -13.014 -3.355 1.00 0.00 C ATOM 0 H VAL A 31 -2.927 -14.698 -3.125 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.200 -15.552 -0.936 1.00 0.00 H new ATOM 0 HB VAL A 31 0.302 -13.955 -1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.505 -15.025 -4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.192 -16.217 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.127 -15.706 -4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.246 -12.740 -4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.945 -13.243 -3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.201 -12.182 -2.673 1.00 0.00 H new ATOM 288 N PRO A 32 -1.146 -13.359 0.499 1.00 0.00 N ATOM 289 CA PRO A 32 -1.237 -12.140 1.324 1.00 0.00 C ATOM 290 C PRO A 32 -1.145 -10.900 0.416 1.00 0.00 C ATOM 291 O PRO A 32 -0.633 -10.942 -0.705 1.00 0.00 O ATOM 292 CB PRO A 32 -0.049 -12.233 2.277 1.00 0.00 C ATOM 293 CG PRO A 32 0.118 -13.741 2.464 1.00 0.00 C ATOM 294 CD PRO A 32 -0.160 -14.293 1.065 1.00 0.00 C ATOM 0 HA PRO A 32 -2.176 -12.054 1.871 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.846 -11.776 1.854 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.248 -11.728 3.222 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.120 -13.997 2.807 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.582 -14.136 3.200 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.748 -14.327 0.463 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.553 -15.309 1.108 1.00 0.00 H new ATOM 302 N VAL A 33 -1.818 -9.852 0.856 1.00 0.00 N ATOM 303 CA VAL A 33 -2.024 -8.609 0.099 1.00 0.00 C ATOM 304 C VAL A 33 -1.417 -7.431 0.858 1.00 0.00 C ATOM 305 O VAL A 33 -1.601 -7.290 2.069 1.00 0.00 O ATOM 306 CB VAL A 33 -3.555 -8.421 -0.085 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.926 -7.069 -0.689 1.00 0.00 C ATOM 308 CG2 VAL A 33 -4.169 -9.536 -0.938 1.00 0.00 C ATOM 0 H VAL A 33 -2.254 -9.832 1.778 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.536 -8.660 -0.874 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.968 -8.466 0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.009 -7.001 -0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.572 -6.270 -0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.462 -6.969 -1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.241 -9.366 -1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.705 -9.537 -1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.999 -10.499 -0.456 1.00 0.00 H new ATOM 318 N MET A 34 -0.847 -6.529 0.066 1.00 0.00 N ATOM 319 CA MET A 34 -0.305 -5.245 0.526 1.00 0.00 C ATOM 320 C MET A 34 -1.029 -4.113 -0.197 1.00 0.00 C ATOM 321 O MET A 34 -1.211 -4.142 -1.414 1.00 0.00 O ATOM 322 CB MET A 34 1.192 -5.170 0.229 1.00 0.00 C ATOM 323 CG MET A 34 1.793 -3.853 0.728 1.00 0.00 C ATOM 324 SD MET A 34 3.615 -3.751 0.613 1.00 0.00 S ATOM 325 CE MET A 34 4.042 -4.956 1.850 1.00 0.00 C ATOM 0 H MET A 34 -0.744 -6.669 -0.939 1.00 0.00 H new ATOM 0 HA MET A 34 -0.454 -5.153 1.602 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.702 -6.008 0.705 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.357 -5.264 -0.844 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.360 -3.032 0.156 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.500 -3.707 1.768 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.554 -4.463 2.676 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.135 -5.435 2.219 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.698 -5.709 1.413 1.00 0.00 H new ATOM 335 N VAL A 35 -1.419 -3.116 0.583 1.00 0.00 N ATOM 336 CA VAL A 35 -2.052 -1.900 0.055 1.00 0.00 C ATOM 337 C VAL A 35 -1.339 -0.603 0.468 1.00 0.00 C ATOM 338 O VAL A 35 -0.962 -0.434 1.626 1.00 0.00 O ATOM 339 CB VAL A 35 -3.527 -1.826 0.449 1.00 0.00 C ATOM 340 CG1 VAL A 35 -4.324 -2.930 -0.250 1.00 0.00 C ATOM 341 CG2 VAL A 35 -3.771 -1.858 1.952 1.00 0.00 C ATOM 0 H VAL A 35 -1.310 -3.119 1.597 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.966 -1.979 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.878 -0.850 0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.372 -2.863 0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.240 -2.811 -1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.929 -3.903 0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.842 -1.801 2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.375 -2.786 2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.271 -1.010 2.420 1.00 0.00 H new ATOM 351 N ASP A 36 -1.236 0.278 -0.519 1.00 0.00 N ATOM 352 CA ASP A 36 -0.698 1.643 -0.361 1.00 0.00 C ATOM 353 C ASP A 36 -1.822 2.657 -0.607 1.00 0.00 C ATOM 354 O ASP A 36 -2.366 2.763 -1.708 1.00 0.00 O ATOM 355 CB ASP A 36 0.462 1.867 -1.346 1.00 0.00 C ATOM 356 CG ASP A 36 1.101 3.257 -1.159 1.00 0.00 C ATOM 357 OD1 ASP A 36 1.759 3.431 -0.116 1.00 0.00 O ATOM 358 OD2 ASP A 36 0.894 4.106 -2.056 1.00 0.00 O ATOM 0 H ASP A 36 -1.527 0.070 -1.474 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.315 1.775 0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.218 1.095 -1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.097 1.768 -2.368 1.00 0.00 H new ATOM 364 N PHE A 37 -2.128 3.390 0.448 1.00 0.00 N ATOM 365 CA PHE A 37 -3.159 4.437 0.394 1.00 0.00 C ATOM 366 C PHE A 37 -2.515 5.794 0.079 1.00 0.00 C ATOM 367 O PHE A 37 -1.683 6.284 0.846 1.00 0.00 O ATOM 368 CB PHE A 37 -3.919 4.599 1.712 1.00 0.00 C ATOM 369 CG PHE A 37 -4.959 3.500 1.993 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.575 2.144 2.082 1.00 0.00 C ATOM 371 CD2 PHE A 37 -6.308 3.889 2.099 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.570 1.159 2.263 1.00 0.00 C ATOM 373 CE2 PHE A 37 -7.304 2.904 2.280 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.923 1.545 2.338 1.00 0.00 C ATOM 0 H PHE A 37 -1.682 3.287 1.359 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.858 4.126 -0.382 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.200 4.618 2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.423 5.565 1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.534 1.864 2.013 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.579 4.933 2.042 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.296 0.117 2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -8.342 3.186 2.373 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.684 0.786 2.442 1.00 0.00 H new ATOM 384 N TRP A 38 -2.945 6.367 -1.033 1.00 0.00 N ATOM 385 CA TRP A 38 -2.398 7.659 -1.464 1.00 0.00 C ATOM 386 C TRP A 38 -3.521 8.704 -1.611 1.00 0.00 C ATOM 387 O TRP A 38 -4.643 8.372 -1.989 1.00 0.00 O ATOM 388 CB TRP A 38 -1.572 7.457 -2.740 1.00 0.00 C ATOM 389 CG TRP A 38 -2.403 7.345 -4.007 1.00 0.00 C ATOM 390 CD1 TRP A 38 -3.005 6.240 -4.445 1.00 0.00 C ATOM 391 CD2 TRP A 38 -2.831 8.391 -4.806 1.00 0.00 C ATOM 392 NE1 TRP A 38 -3.772 6.517 -5.496 1.00 0.00 N ATOM 393 CE2 TRP A 38 -3.730 7.826 -5.732 1.00 0.00 C ATOM 394 CE3 TRP A 38 -2.600 9.782 -4.783 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -4.450 8.656 -6.595 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -3.301 10.605 -5.683 1.00 0.00 C ATOM 397 CH2 TRP A 38 -4.223 10.056 -6.595 1.00 0.00 C ATOM 0 H TRP A 38 -3.657 5.974 -1.649 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.725 8.058 -0.706 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.878 8.291 -2.846 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.971 6.554 -2.632 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.887 5.259 -4.009 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.307 5.835 -6.035 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.895 10.209 -4.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.182 8.230 -7.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.130 11.671 -5.674 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.752 10.694 -7.287 1.00 0.00 H new ATOM 408 N ALA A 39 -3.128 9.961 -1.491 1.00 0.00 N ATOM 409 CA ALA A 39 -4.082 11.082 -1.466 1.00 0.00 C ATOM 410 C ALA A 39 -3.615 12.182 -2.424 1.00 0.00 C ATOM 411 O ALA A 39 -2.418 12.477 -2.459 1.00 0.00 O ATOM 412 CB ALA A 39 -4.176 11.627 -0.046 1.00 0.00 C ATOM 0 H ALA A 39 -2.151 10.243 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.065 10.735 -1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.881 12.458 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.520 10.839 0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.194 11.975 0.276 1.00 0.00 H new ATOM 418 N PRO A 40 -4.519 12.725 -3.245 1.00 0.00 N ATOM 419 CA PRO A 40 -4.190 13.848 -4.135 1.00 0.00 C ATOM 420 C PRO A 40 -3.562 15.034 -3.372 1.00 0.00 C ATOM 421 O PRO A 40 -2.422 15.397 -3.636 1.00 0.00 O ATOM 422 CB PRO A 40 -5.469 14.217 -4.869 1.00 0.00 C ATOM 423 CG PRO A 40 -6.548 13.249 -4.388 1.00 0.00 C ATOM 424 CD PRO A 40 -5.839 12.161 -3.572 1.00 0.00 C ATOM 0 HA PRO A 40 -3.423 13.560 -4.854 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.752 15.248 -4.658 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.332 14.139 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.288 13.768 -3.779 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.080 12.813 -5.233 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.399 11.918 -2.669 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.743 11.239 -4.145 1.00 0.00 H new ATOM 557 N ALA A 49 4.977 5.326 -4.407 1.00 0.00 N ATOM 558 CA ALA A 49 4.843 3.895 -4.132 1.00 0.00 C ATOM 559 C ALA A 49 6.170 3.111 -4.248 1.00 0.00 C ATOM 560 O ALA A 49 6.109 1.891 -4.081 1.00 0.00 O ATOM 561 CB ALA A 49 3.749 3.347 -5.063 1.00 0.00 C ATOM 0 HA ALA A 49 4.557 3.758 -3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.621 2.279 -4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.810 3.863 -4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.039 3.510 -6.101 1.00 0.00 H new ATOM 567 N PRO A 50 7.369 3.732 -4.195 1.00 0.00 N ATOM 568 CA PRO A 50 8.642 3.053 -4.483 1.00 0.00 C ATOM 569 C PRO A 50 8.979 2.047 -3.379 1.00 0.00 C ATOM 570 O PRO A 50 9.239 0.897 -3.700 1.00 0.00 O ATOM 571 CB PRO A 50 9.720 4.129 -4.514 1.00 0.00 C ATOM 572 CG PRO A 50 9.000 5.432 -4.174 1.00 0.00 C ATOM 573 CD PRO A 50 7.745 4.944 -3.451 1.00 0.00 C ATOM 0 HA PRO A 50 8.576 2.514 -5.428 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.509 3.916 -3.793 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.192 4.185 -5.495 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.608 6.077 -3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.755 6.005 -5.069 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.946 4.725 -2.402 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.952 5.692 -3.475 1.00 0.00 H new ATOM 581 N VAL A 51 8.868 2.456 -2.108 1.00 0.00 N ATOM 582 CA VAL A 51 9.074 1.586 -0.929 1.00 0.00 C ATOM 583 C VAL A 51 8.239 0.308 -1.093 1.00 0.00 C ATOM 584 O VAL A 51 8.807 -0.749 -1.328 1.00 0.00 O ATOM 585 CB VAL A 51 8.724 2.352 0.370 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.826 1.457 1.612 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.623 3.569 0.568 1.00 0.00 C ATOM 0 H VAL A 51 8.629 3.416 -1.860 1.00 0.00 H new ATOM 0 HA VAL A 51 10.122 1.297 -0.855 1.00 0.00 H new ATOM 0 HB VAL A 51 7.691 2.681 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.572 2.036 2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.135 0.620 1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.844 1.078 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.346 4.080 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.663 3.247 0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.503 4.251 -0.274 1.00 0.00 H new ATOM 597 N ILE A 52 6.943 0.507 -1.330 1.00 0.00 N ATOM 598 CA ILE A 52 5.979 -0.571 -1.594 1.00 0.00 C ATOM 599 C ILE A 52 6.351 -1.417 -2.825 1.00 0.00 C ATOM 600 O ILE A 52 6.505 -2.624 -2.716 1.00 0.00 O ATOM 601 CB ILE A 52 4.578 0.121 -1.616 1.00 0.00 C ATOM 602 CG1 ILE A 52 4.006 0.398 -0.222 1.00 0.00 C ATOM 603 CG2 ILE A 52 3.522 -0.609 -2.449 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.836 1.369 0.629 1.00 0.00 C ATOM 0 H ILE A 52 6.522 1.436 -1.345 1.00 0.00 H new ATOM 0 HA ILE A 52 5.978 -1.337 -0.819 1.00 0.00 H new ATOM 0 HB ILE A 52 4.793 1.072 -2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.999 0.801 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.915 -0.547 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.582 -0.059 -2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.858 -0.677 -3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.373 -1.612 -2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.356 1.505 1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.837 0.962 0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.906 2.330 0.120 1.00 0.00 H new ATOM 616 N ASP A 53 6.755 -0.737 -3.901 1.00 0.00 N ATOM 617 CA ASP A 53 7.227 -1.389 -5.149 1.00 0.00 C ATOM 618 C ASP A 53 8.514 -2.227 -4.975 1.00 0.00 C ATOM 619 O ASP A 53 8.718 -3.239 -5.649 1.00 0.00 O ATOM 620 CB ASP A 53 7.419 -0.376 -6.280 1.00 0.00 C ATOM 621 CG ASP A 53 6.103 0.289 -6.704 1.00 0.00 C ATOM 622 OD1 ASP A 53 6.140 1.526 -6.847 1.00 0.00 O ATOM 623 OD2 ASP A 53 5.096 -0.430 -6.844 1.00 0.00 O ATOM 0 H ASP A 53 6.768 0.282 -3.943 1.00 0.00 H new ATOM 0 HA ASP A 53 6.431 -2.084 -5.415 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.123 0.392 -5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.863 -0.877 -7.140 1.00 0.00 H new ATOM 629 N GLU A 54 9.358 -1.766 -4.067 1.00 0.00 N ATOM 630 CA GLU A 54 10.592 -2.436 -3.650 1.00 0.00 C ATOM 631 C GLU A 54 10.290 -3.624 -2.745 1.00 0.00 C ATOM 632 O GLU A 54 10.674 -4.749 -3.084 1.00 0.00 O ATOM 633 CB GLU A 54 11.490 -1.486 -2.875 1.00 0.00 C ATOM 634 CG GLU A 54 12.192 -0.468 -3.779 1.00 0.00 C ATOM 635 CD GLU A 54 12.842 0.655 -2.981 1.00 0.00 C ATOM 636 OE1 GLU A 54 12.496 1.819 -3.272 1.00 0.00 O ATOM 637 OE2 GLU A 54 13.688 0.345 -2.104 1.00 0.00 O ATOM 0 H GLU A 54 9.203 -0.884 -3.579 1.00 0.00 H new ATOM 0 HA GLU A 54 11.091 -2.772 -4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.895 -0.956 -2.131 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.240 -2.062 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.951 -0.975 -4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.470 -0.045 -4.477 1.00 0.00 H new ATOM 645 N LEU A 55 9.424 -3.393 -1.752 1.00 0.00 N ATOM 646 CA LEU A 55 8.965 -4.448 -0.840 1.00 0.00 C ATOM 647 C LEU A 55 8.375 -5.667 -1.568 1.00 0.00 C ATOM 648 O LEU A 55 8.760 -6.810 -1.293 1.00 0.00 O ATOM 649 CB LEU A 55 7.879 -3.853 0.072 1.00 0.00 C ATOM 650 CG LEU A 55 8.309 -2.759 1.063 1.00 0.00 C ATOM 651 CD1 LEU A 55 7.079 -2.324 1.852 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.414 -3.215 2.019 1.00 0.00 C ATOM 0 H LEU A 55 9.023 -2.475 -1.558 1.00 0.00 H new ATOM 0 HA LEU A 55 9.833 -4.797 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.094 -3.443 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.434 -4.668 0.642 1.00 0.00 H new ATOM 0 HG LEU A 55 8.727 -1.929 0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.359 -1.547 2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.326 -1.935 1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.671 -3.179 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.673 -2.398 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.063 -4.067 2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.294 -3.505 1.446 1.00 0.00 H new ATOM 664 N ALA A 56 7.778 -5.331 -2.714 1.00 0.00 N ATOM 665 CA ALA A 56 7.146 -6.258 -3.661 1.00 0.00 C ATOM 666 C ALA A 56 8.099 -7.364 -4.134 1.00 0.00 C ATOM 667 O ALA A 56 7.806 -8.555 -4.024 1.00 0.00 O ATOM 668 CB ALA A 56 6.673 -5.450 -4.860 1.00 0.00 C ATOM 0 H ALA A 56 7.718 -4.361 -3.023 1.00 0.00 H new ATOM 0 HA ALA A 56 6.317 -6.753 -3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.198 -6.114 -5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.955 -4.698 -4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.526 -4.958 -5.326 1.00 0.00 H new ATOM 674 N LYS A 57 9.270 -6.957 -4.615 1.00 0.00 N ATOM 675 CA LYS A 57 10.314 -7.887 -5.083 1.00 0.00 C ATOM 676 C LYS A 57 11.293 -8.345 -3.999 1.00 0.00 C ATOM 677 O LYS A 57 11.729 -9.498 -4.021 1.00 0.00 O ATOM 678 CB LYS A 57 11.050 -7.295 -6.289 1.00 0.00 C ATOM 679 CG LYS A 57 11.700 -5.962 -5.936 1.00 0.00 C ATOM 680 CD LYS A 57 12.051 -5.200 -7.202 1.00 0.00 C ATOM 681 CE LYS A 57 12.611 -3.851 -6.768 1.00 0.00 C ATOM 682 NZ LYS A 57 12.499 -2.956 -7.930 1.00 0.00 N ATOM 0 H LYS A 57 9.530 -5.974 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 57 9.793 -8.796 -5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.812 -7.995 -6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.350 -7.155 -7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.022 -5.369 -5.322 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.599 -6.133 -5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.784 -5.750 -7.793 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.170 -5.068 -7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.054 -3.455 -5.919 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.650 -3.946 -6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.871 -2.017 -7.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.047 -3.347 -8.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.500 -2.871 -8.208 1.00 0.00 H new ATOM 696 N GLU A 58 11.430 -7.536 -2.948 1.00 0.00 N ATOM 697 CA GLU A 58 12.316 -7.775 -1.804 1.00 0.00 C ATOM 698 C GLU A 58 11.987 -9.112 -1.100 1.00 0.00 C ATOM 699 O GLU A 58 12.869 -9.897 -0.776 1.00 0.00 O ATOM 700 CB GLU A 58 12.080 -6.571 -0.916 1.00 0.00 C ATOM 701 CG GLU A 58 12.971 -6.475 0.315 1.00 0.00 C ATOM 702 CD GLU A 58 12.781 -5.135 1.027 1.00 0.00 C ATOM 703 OE1 GLU A 58 13.054 -5.123 2.246 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.427 -4.130 0.365 1.00 0.00 O ATOM 0 H GLU A 58 10.908 -6.663 -2.865 1.00 0.00 H new ATOM 0 HA GLU A 58 13.364 -7.876 -2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.218 -5.669 -1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.040 -6.581 -0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.740 -7.291 1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.015 -6.591 0.023 1.00 0.00 H new ATOM 712 N TYR A 59 10.696 -9.307 -0.874 1.00 0.00 N ATOM 713 CA TYR A 59 10.155 -10.598 -0.421 1.00 0.00 C ATOM 714 C TYR A 59 9.066 -10.992 -1.435 1.00 0.00 C ATOM 715 O TYR A 59 7.910 -10.586 -1.381 1.00 0.00 O ATOM 716 CB TYR A 59 9.751 -10.611 1.064 1.00 0.00 C ATOM 717 CG TYR A 59 9.021 -9.364 1.534 1.00 0.00 C ATOM 718 CD1 TYR A 59 9.784 -8.215 1.815 1.00 0.00 C ATOM 719 CD2 TYR A 59 7.622 -9.354 1.457 1.00 0.00 C ATOM 720 CE1 TYR A 59 9.119 -6.982 1.971 1.00 0.00 C ATOM 721 CE2 TYR A 59 6.955 -8.132 1.614 1.00 0.00 C ATOM 722 CZ TYR A 59 7.707 -6.973 1.860 1.00 0.00 C ATOM 723 OH TYR A 59 7.033 -5.825 2.078 1.00 0.00 O ATOM 0 H TYR A 59 9.989 -8.582 -0.997 1.00 0.00 H new ATOM 0 HA TYR A 59 10.919 -11.376 -0.419 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.116 -11.478 1.246 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.648 -10.740 1.670 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.858 -8.277 1.909 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.071 -10.266 1.281 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.668 -6.073 2.169 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.878 -8.083 1.547 1.00 0.00 H new ATOM 0 HH TYR A 59 7.490 -5.304 2.771 1.00 0.00 H new ATOM 733 N SER A 60 9.670 -11.321 -2.577 1.00 0.00 N ATOM 734 CA SER A 60 8.997 -11.748 -3.814 1.00 0.00 C ATOM 735 C SER A 60 7.914 -12.811 -3.672 1.00 0.00 C ATOM 736 O SER A 60 8.027 -13.733 -2.868 1.00 0.00 O ATOM 737 CB SER A 60 10.032 -12.279 -4.808 1.00 0.00 C ATOM 738 OG SER A 60 10.031 -11.357 -5.897 1.00 0.00 O ATOM 0 H SER A 60 10.685 -11.298 -2.674 1.00 0.00 H new ATOM 0 HA SER A 60 8.490 -10.845 -4.154 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.019 -12.342 -4.349 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.772 -13.283 -5.145 1.00 0.00 H new ATOM 0 HG SER A 60 10.681 -11.646 -6.571 1.00 0.00 H new ATOM 744 N GLY A 61 6.819 -12.547 -4.380 1.00 0.00 N ATOM 745 CA GLY A 61 5.642 -13.430 -4.451 1.00 0.00 C ATOM 746 C GLY A 61 4.788 -13.509 -3.171 1.00 0.00 C ATOM 747 O GLY A 61 3.679 -14.031 -3.187 1.00 0.00 O ATOM 0 H GLY A 61 6.716 -11.697 -4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.006 -13.092 -5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.980 -14.435 -4.703 1.00 0.00 H new ATOM 751 N LYS A 62 5.318 -12.928 -2.093 1.00 0.00 N ATOM 752 CA LYS A 62 4.723 -12.906 -0.738 1.00 0.00 C ATOM 753 C LYS A 62 3.409 -12.126 -0.630 1.00 0.00 C ATOM 754 O LYS A 62 2.449 -12.592 -0.031 1.00 0.00 O ATOM 755 CB LYS A 62 5.734 -12.268 0.212 1.00 0.00 C ATOM 756 CG LYS A 62 7.000 -13.098 0.432 1.00 0.00 C ATOM 757 CD LYS A 62 6.831 -14.325 1.320 1.00 0.00 C ATOM 758 CE LYS A 62 8.196 -14.632 1.920 1.00 0.00 C ATOM 759 NZ LYS A 62 8.265 -16.050 2.310 1.00 0.00 N ATOM 0 H LYS A 62 6.211 -12.437 -2.133 1.00 0.00 H new ATOM 0 HA LYS A 62 4.489 -13.940 -0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.017 -11.291 -0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.253 -12.098 1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.375 -13.422 -0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.764 -12.456 0.870 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.099 -14.135 2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.465 -15.173 0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.980 -14.406 1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.372 -13.998 2.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.200 -16.253 2.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.528 -16.252 3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.117 -16.648 1.472 1.00 0.00 H new ATOM 773 N ILE A 63 3.461 -10.871 -1.073 1.00 0.00 N ATOM 774 CA ILE A 63 2.337 -9.925 -0.988 1.00 0.00 C ATOM 775 C ILE A 63 1.965 -9.317 -2.351 1.00 0.00 C ATOM 776 O ILE A 63 2.818 -9.039 -3.195 1.00 0.00 O ATOM 777 CB ILE A 63 2.568 -8.835 0.084 1.00 0.00 C ATOM 778 CG1 ILE A 63 3.961 -8.200 0.043 1.00 0.00 C ATOM 779 CG2 ILE A 63 2.282 -9.370 1.496 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.214 -7.232 -1.110 1.00 0.00 C ATOM 0 H ILE A 63 4.293 -10.472 -1.508 1.00 0.00 H new ATOM 0 HA ILE A 63 1.476 -10.511 -0.667 1.00 0.00 H new ATOM 0 HB ILE A 63 1.858 -8.045 -0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.126 -7.670 0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.702 -8.998 -0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.454 -8.579 2.226 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.245 -9.701 1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.944 -10.210 1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.230 -6.842 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.089 -7.755 -2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.504 -6.407 -1.055 1.00 0.00 H new ATOM 792 N ALA A 64 0.660 -9.247 -2.561 1.00 0.00 N ATOM 793 CA ALA A 64 0.073 -8.632 -3.766 1.00 0.00 C ATOM 794 C ALA A 64 -0.084 -7.116 -3.570 1.00 0.00 C ATOM 795 O ALA A 64 -0.887 -6.649 -2.752 1.00 0.00 O ATOM 796 CB ALA A 64 -1.258 -9.316 -4.088 1.00 0.00 C ATOM 0 H ALA A 64 -0.032 -9.612 -1.907 1.00 0.00 H new ATOM 0 HA ALA A 64 0.738 -8.774 -4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.694 -8.863 -4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.088 -10.378 -4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.942 -9.195 -3.248 1.00 0.00 H new ATOM 802 N VAL A 65 0.817 -6.397 -4.219 1.00 0.00 N ATOM 803 CA VAL A 65 0.997 -4.937 -4.115 1.00 0.00 C ATOM 804 C VAL A 65 -0.027 -4.099 -4.882 1.00 0.00 C ATOM 805 O VAL A 65 0.076 -3.833 -6.079 1.00 0.00 O ATOM 806 CB VAL A 65 2.443 -4.531 -4.483 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.295 -4.474 -3.213 1.00 0.00 C ATOM 808 CG2 VAL A 65 3.100 -5.319 -5.607 1.00 0.00 C ATOM 0 H VAL A 65 1.480 -6.825 -4.866 1.00 0.00 H new ATOM 0 HA VAL A 65 0.811 -4.705 -3.066 1.00 0.00 H new ATOM 0 HB VAL A 65 2.372 -3.537 -4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.315 -4.188 -3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.875 -3.739 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.303 -5.454 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.110 -4.943 -5.773 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.146 -6.373 -5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.516 -5.206 -6.520 1.00 0.00 H new ATOM 818 N TYR A 66 -1.000 -3.643 -4.101 1.00 0.00 N ATOM 819 CA TYR A 66 -2.134 -2.835 -4.577 1.00 0.00 C ATOM 820 C TYR A 66 -2.129 -1.408 -4.042 1.00 0.00 C ATOM 821 O TYR A 66 -1.634 -1.135 -2.946 1.00 0.00 O ATOM 822 CB TYR A 66 -3.438 -3.543 -4.185 1.00 0.00 C ATOM 823 CG TYR A 66 -3.616 -4.933 -4.797 1.00 0.00 C ATOM 824 CD1 TYR A 66 -3.109 -5.237 -6.077 1.00 0.00 C ATOM 825 CD2 TYR A 66 -4.186 -5.948 -3.998 1.00 0.00 C ATOM 826 CE1 TYR A 66 -3.169 -6.557 -6.569 1.00 0.00 C ATOM 827 CE2 TYR A 66 -4.250 -7.275 -4.479 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.727 -7.563 -5.769 1.00 0.00 C ATOM 829 OH TYR A 66 -3.770 -8.817 -6.287 1.00 0.00 O ATOM 0 H TYR A 66 -1.030 -3.824 -3.098 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.046 -2.749 -5.660 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.476 -3.631 -3.099 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.280 -2.918 -4.484 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.673 -4.456 -6.683 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.573 -5.710 -3.018 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.789 -6.790 -7.553 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.689 -8.057 -3.877 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.495 -9.321 -5.863 1.00 0.00 H new ATOM 839 N LYS A 67 -2.615 -0.485 -4.856 1.00 0.00 N ATOM 840 CA LYS A 67 -2.753 0.934 -4.465 1.00 0.00 C ATOM 841 C LYS A 67 -4.111 1.528 -4.856 1.00 0.00 C ATOM 842 O LYS A 67 -4.687 1.137 -5.870 1.00 0.00 O ATOM 843 CB LYS A 67 -1.636 1.847 -5.012 1.00 0.00 C ATOM 844 CG LYS A 67 -1.336 1.725 -6.511 1.00 0.00 C ATOM 845 CD LYS A 67 -0.386 0.562 -6.841 1.00 0.00 C ATOM 846 CE LYS A 67 1.009 0.762 -6.227 1.00 0.00 C ATOM 847 NZ LYS A 67 1.843 -0.415 -6.519 1.00 0.00 N ATOM 0 H LYS A 67 -2.928 -0.684 -5.806 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.668 0.910 -3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.904 2.882 -4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.720 1.635 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.272 1.588 -7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.896 2.658 -6.865 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.814 -0.370 -6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.295 0.465 -7.923 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.473 1.660 -6.634 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.927 0.906 -5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.843 -0.132 -6.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.709 -1.129 -5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.567 -0.817 -7.438 1.00 0.00 H new ATOM 861 N LEU A 68 -4.714 2.178 -3.876 1.00 0.00 N ATOM 862 CA LEU A 68 -5.980 2.924 -4.114 1.00 0.00 C ATOM 863 C LEU A 68 -5.947 4.424 -3.811 1.00 0.00 C ATOM 864 O LEU A 68 -5.248 4.883 -2.904 1.00 0.00 O ATOM 865 CB LEU A 68 -7.223 2.238 -3.494 1.00 0.00 C ATOM 866 CG LEU A 68 -7.390 2.143 -1.965 1.00 0.00 C ATOM 867 CD1 LEU A 68 -6.219 1.409 -1.294 1.00 0.00 C ATOM 868 CD2 LEU A 68 -7.726 3.465 -1.303 1.00 0.00 C ATOM 0 H LEU A 68 -4.371 2.217 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.080 2.872 -5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.101 2.756 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.255 1.221 -3.884 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.272 1.523 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.384 1.369 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.151 0.395 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.290 1.942 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.828 3.318 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.929 4.182 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.663 3.847 -1.707 1.00 0.00 H new ATOM 880 N ASN A 69 -6.759 5.148 -4.586 1.00 0.00 N ATOM 881 CA ASN A 69 -6.998 6.597 -4.398 1.00 0.00 C ATOM 882 C ASN A 69 -7.852 6.720 -3.147 1.00 0.00 C ATOM 883 O ASN A 69 -9.071 6.555 -3.189 1.00 0.00 O ATOM 884 CB ASN A 69 -7.745 7.203 -5.596 1.00 0.00 C ATOM 885 CG ASN A 69 -7.396 6.673 -6.983 1.00 0.00 C ATOM 886 OD1 ASN A 69 -7.661 5.532 -7.329 1.00 0.00 O ATOM 887 ND2 ASN A 69 -6.993 7.568 -7.863 1.00 0.00 N ATOM 0 H ASN A 69 -7.277 4.750 -5.370 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.053 7.133 -4.309 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.813 7.053 -5.437 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.570 8.279 -5.593 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.899 7.311 -8.846 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.775 8.518 -7.561 1.00 0.00 H new ATOM 894 N THR A 70 -7.191 7.013 -2.038 1.00 0.00 N ATOM 895 CA THR A 70 -7.869 7.036 -0.723 1.00 0.00 C ATOM 896 C THR A 70 -9.151 7.888 -0.660 1.00 0.00 C ATOM 897 O THR A 70 -10.233 7.380 -0.392 1.00 0.00 O ATOM 898 CB THR A 70 -6.895 7.373 0.418 1.00 0.00 C ATOM 899 OG1 THR A 70 -7.477 6.907 1.641 1.00 0.00 O ATOM 900 CG2 THR A 70 -6.518 8.853 0.585 1.00 0.00 C ATOM 0 H THR A 70 -6.197 7.238 -2.007 1.00 0.00 H new ATOM 0 HA THR A 70 -8.220 6.014 -0.580 1.00 0.00 H new ATOM 0 HB THR A 70 -5.959 6.879 0.158 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.890 7.659 2.114 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.827 8.960 1.421 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.042 9.212 -0.327 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.417 9.438 0.780 1.00 0.00 H new ATOM 908 N ASP A 71 -9.031 9.046 -1.311 1.00 0.00 N ATOM 909 CA ASP A 71 -10.133 10.025 -1.464 1.00 0.00 C ATOM 910 C ASP A 71 -11.280 9.521 -2.361 1.00 0.00 C ATOM 911 O ASP A 71 -12.434 9.883 -2.134 1.00 0.00 O ATOM 912 CB ASP A 71 -9.627 11.377 -1.985 1.00 0.00 C ATOM 913 CG ASP A 71 -8.773 12.097 -0.937 1.00 0.00 C ATOM 914 OD1 ASP A 71 -7.558 11.801 -0.901 1.00 0.00 O ATOM 915 OD2 ASP A 71 -9.340 12.949 -0.217 1.00 0.00 O ATOM 0 H ASP A 71 -8.162 9.343 -1.755 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.537 10.156 -0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.040 11.223 -2.891 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.476 12.004 -2.258 1.00 0.00 H new ATOM 921 N GLU A 72 -10.941 8.678 -3.331 1.00 0.00 N ATOM 922 CA GLU A 72 -11.920 8.077 -4.258 1.00 0.00 C ATOM 923 C GLU A 72 -12.625 6.855 -3.646 1.00 0.00 C ATOM 924 O GLU A 72 -13.676 6.428 -4.118 1.00 0.00 O ATOM 925 CB GLU A 72 -11.158 7.684 -5.531 1.00 0.00 C ATOM 926 CG GLU A 72 -12.054 7.496 -6.760 1.00 0.00 C ATOM 927 CD GLU A 72 -11.170 7.368 -8.003 1.00 0.00 C ATOM 928 OE1 GLU A 72 -10.809 6.228 -8.344 1.00 0.00 O ATOM 929 OE2 GLU A 72 -10.854 8.434 -8.586 1.00 0.00 O ATOM 0 H GLU A 72 -9.979 8.385 -3.505 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.706 8.799 -4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.415 8.451 -5.749 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.614 6.758 -5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.672 6.606 -6.643 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.732 8.343 -6.865 1.00 0.00 H new ATOM 937 N ALA A 73 -11.996 6.264 -2.631 1.00 0.00 N ATOM 938 CA ALA A 73 -12.574 5.145 -1.870 1.00 0.00 C ATOM 939 C ALA A 73 -12.777 5.513 -0.386 1.00 0.00 C ATOM 940 O ALA A 73 -12.222 4.861 0.507 1.00 0.00 O ATOM 941 CB ALA A 73 -11.648 3.936 -2.096 1.00 0.00 C ATOM 0 H ALA A 73 -11.070 6.544 -2.309 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.577 4.896 -2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.034 3.075 -1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.607 3.703 -3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.646 4.173 -1.738 1.00 0.00 H new ATOM 947 N PRO A 74 -13.758 6.392 -0.083 1.00 0.00 N ATOM 948 CA PRO A 74 -14.008 6.909 1.275 1.00 0.00 C ATOM 949 C PRO A 74 -14.353 5.790 2.274 1.00 0.00 C ATOM 950 O PRO A 74 -13.852 5.767 3.394 1.00 0.00 O ATOM 951 CB PRO A 74 -15.192 7.866 1.149 1.00 0.00 C ATOM 952 CG PRO A 74 -15.281 8.180 -0.336 1.00 0.00 C ATOM 953 CD PRO A 74 -14.802 6.890 -1.001 1.00 0.00 C ATOM 0 HA PRO A 74 -13.112 7.397 1.658 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -16.112 7.407 1.512 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -15.034 8.771 1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -16.299 8.431 -0.633 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.652 9.028 -0.606 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.614 6.171 -1.112 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -14.403 7.077 -1.998 1.00 0.00 H new ATOM 961 N GLY A 75 -15.133 4.808 1.799 1.00 0.00 N ATOM 962 CA GLY A 75 -15.586 3.623 2.556 1.00 0.00 C ATOM 963 C GLY A 75 -14.412 2.708 2.964 1.00 0.00 C ATOM 964 O GLY A 75 -14.294 2.345 4.131 1.00 0.00 O ATOM 0 H GLY A 75 -15.481 4.814 0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.119 3.947 3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.293 3.056 1.951 1.00 0.00 H new ATOM 968 N ILE A 76 -13.469 2.540 2.041 1.00 0.00 N ATOM 969 CA ILE A 76 -12.240 1.760 2.276 1.00 0.00 C ATOM 970 C ILE A 76 -11.412 2.448 3.364 1.00 0.00 C ATOM 971 O ILE A 76 -11.282 1.944 4.472 1.00 0.00 O ATOM 972 CB ILE A 76 -11.504 1.600 0.932 1.00 0.00 C ATOM 973 CG1 ILE A 76 -12.344 0.875 -0.133 1.00 0.00 C ATOM 974 CG2 ILE A 76 -10.144 0.919 1.088 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.974 -0.439 0.324 1.00 0.00 C ATOM 0 H ILE A 76 -13.528 2.939 1.104 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.452 0.756 2.644 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.336 2.617 0.579 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.137 1.544 -0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.712 0.676 -0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.667 0.831 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.513 1.514 1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.281 -0.074 1.516 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.545 -0.873 -0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.190 -1.133 0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.637 -0.250 1.168 1.00 0.00 H new ATOM 987 N ALA A 77 -11.141 3.720 3.102 1.00 0.00 N ATOM 988 CA ALA A 77 -10.441 4.613 4.049 1.00 0.00 C ATOM 989 C ALA A 77 -11.051 4.622 5.453 1.00 0.00 C ATOM 990 O ALA A 77 -10.332 4.389 6.436 1.00 0.00 O ATOM 991 CB ALA A 77 -10.428 6.024 3.450 1.00 0.00 C ATOM 0 H ALA A 77 -11.397 4.174 2.225 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.427 4.235 4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.916 6.704 4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.907 6.008 2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.452 6.365 3.299 1.00 0.00 H new ATOM 997 N THR A 78 -12.388 4.645 5.513 1.00 0.00 N ATOM 998 CA THR A 78 -13.153 4.567 6.772 1.00 0.00 C ATOM 999 C THR A 78 -12.848 3.251 7.500 1.00 0.00 C ATOM 1000 O THR A 78 -12.264 3.239 8.585 1.00 0.00 O ATOM 1001 CB THR A 78 -14.648 4.563 6.479 1.00 0.00 C ATOM 1002 OG1 THR A 78 -15.053 5.758 5.777 1.00 0.00 O ATOM 1003 CG2 THR A 78 -15.555 4.457 7.699 1.00 0.00 C ATOM 0 H THR A 78 -12.978 4.719 4.684 1.00 0.00 H new ATOM 0 HA THR A 78 -12.872 5.427 7.380 1.00 0.00 H new ATOM 0 HB THR A 78 -14.773 3.662 5.879 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.782 5.693 4.838 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.597 4.463 7.379 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.344 3.529 8.230 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.374 5.303 8.362 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.157 2.144 6.807 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.063 0.788 7.349 1.00 0.00 C ATOM 1013 C GLN A 79 -11.650 0.420 7.844 1.00 0.00 C ATOM 1014 O GLN A 79 -11.497 -0.274 8.851 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.518 -0.207 6.276 1.00 0.00 C ATOM 1016 CG GLN A 79 -13.634 -1.661 6.755 1.00 0.00 C ATOM 1017 CD GLN A 79 -14.657 -1.856 7.879 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -15.851 -2.003 7.665 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -14.196 -1.829 9.107 1.00 0.00 N ATOM 0 H GLN A 79 -13.483 2.171 5.841 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.711 0.743 8.224 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.487 0.113 5.891 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.816 -0.168 5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -13.910 -2.292 5.910 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -12.657 -2.000 7.101 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.197 -1.706 9.274 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -14.836 -1.931 9.894 1.00 0.00 H new ATOM 1028 N TYR A 80 -10.656 0.941 7.141 1.00 0.00 N ATOM 1029 CA TYR A 80 -9.237 0.683 7.435 1.00 0.00 C ATOM 1030 C TYR A 80 -8.554 1.735 8.302 1.00 0.00 C ATOM 1031 O TYR A 80 -7.322 1.721 8.425 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.513 0.413 6.104 1.00 0.00 C ATOM 1033 CG TYR A 80 -9.081 -0.846 5.428 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.069 -2.066 6.139 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.947 -0.646 4.345 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -9.988 -3.080 5.782 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.872 -1.639 3.984 1.00 0.00 C ATOM 1038 CZ TYR A 80 -10.872 -2.844 4.711 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.540 -3.914 4.191 1.00 0.00 O ATOM 0 H TYR A 80 -10.802 1.560 6.344 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.178 -0.201 8.070 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.626 1.271 5.441 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.445 0.287 6.283 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.367 -2.223 6.945 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.903 0.276 3.785 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.012 -4.016 6.320 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.565 -1.482 3.170 1.00 0.00 H new ATOM 0 HH TYR A 80 -12.406 -3.620 3.840 1.00 0.00 H new ATOM 1049 N ASN A 81 -9.366 2.611 8.892 1.00 0.00 N ATOM 1050 CA ASN A 81 -8.947 3.635 9.880 1.00 0.00 C ATOM 1051 C ASN A 81 -7.674 4.410 9.492 1.00 0.00 C ATOM 1052 O ASN A 81 -6.792 4.700 10.299 1.00 0.00 O ATOM 1053 CB ASN A 81 -8.881 3.020 11.290 1.00 0.00 C ATOM 1054 CG ASN A 81 -7.951 1.797 11.420 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -6.746 1.864 11.577 1.00 0.00 O ATOM 1056 ND2 ASN A 81 -8.545 0.610 11.400 1.00 0.00 N ATOM 0 H ASN A 81 -10.367 2.638 8.698 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.718 4.405 9.883 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.549 3.787 11.990 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.887 2.727 11.591 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.992 -0.239 11.516 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.555 0.547 11.269 1.00 0.00 H new ATOM 1063 N ILE A 82 -7.674 4.833 8.228 1.00 0.00 N ATOM 1064 CA ILE A 82 -6.519 5.550 7.646 1.00 0.00 C ATOM 1065 C ILE A 82 -6.560 7.024 8.061 1.00 0.00 C ATOM 1066 O ILE A 82 -7.492 7.772 7.784 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.307 5.220 6.148 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -7.209 5.992 5.180 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.408 3.714 5.861 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -6.634 7.389 4.916 1.00 0.00 C ATOM 0 H ILE A 82 -8.452 4.697 7.583 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.584 5.182 8.068 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.289 5.559 5.957 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.299 5.445 4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.213 6.077 5.597 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.252 3.535 4.797 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.648 3.183 6.434 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.396 3.354 6.148 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.285 7.926 4.226 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.568 7.939 5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.640 7.297 4.479 1.00 0.00 H new ATOM 1082 N ARG A 83 -5.652 7.281 8.993 1.00 0.00 N ATOM 1083 CA ARG A 83 -5.495 8.598 9.641 1.00 0.00 C ATOM 1084 C ARG A 83 -4.208 9.330 9.252 1.00 0.00 C ATOM 1085 O ARG A 83 -3.807 10.319 9.869 1.00 0.00 O ATOM 1086 CB ARG A 83 -5.572 8.424 11.172 1.00 0.00 C ATOM 1087 CG ARG A 83 -6.860 7.720 11.629 1.00 0.00 C ATOM 1088 CD ARG A 83 -8.128 8.481 11.243 1.00 0.00 C ATOM 1089 NE ARG A 83 -9.265 7.584 11.504 1.00 0.00 N ATOM 1090 CZ ARG A 83 -10.156 7.134 10.625 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -9.998 7.244 9.309 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -11.144 6.368 11.045 1.00 0.00 N ATOM 0 H ARG A 83 -4.992 6.581 9.331 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.311 9.226 9.284 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.710 7.850 11.511 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.510 9.403 11.648 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.896 6.722 11.193 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.834 7.594 12.711 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.219 9.398 11.825 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.099 8.771 10.193 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.383 7.272 12.468 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.162 7.691 8.931 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.712 6.882 8.678 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.218 6.127 12.033 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.834 6.016 10.381 1.00 0.00 H new ATOM 1106 N SER A 84 -3.531 8.776 8.253 1.00 0.00 N ATOM 1107 CA SER A 84 -2.277 9.323 7.698 1.00 0.00 C ATOM 1108 C SER A 84 -1.993 8.725 6.317 1.00 0.00 C ATOM 1109 O SER A 84 -2.340 7.577 6.047 1.00 0.00 O ATOM 1110 CB SER A 84 -1.069 9.004 8.585 1.00 0.00 C ATOM 1111 OG SER A 84 -1.232 9.649 9.851 1.00 0.00 O ATOM 0 H SER A 84 -3.835 7.919 7.791 1.00 0.00 H new ATOM 0 HA SER A 84 -2.416 10.403 7.639 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.977 7.926 8.721 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.151 9.344 8.106 1.00 0.00 H new ATOM 0 HG SER A 84 -2.009 10.245 9.817 1.00 0.00 H new ATOM 1117 N ILE A 85 -1.463 9.575 5.441 1.00 0.00 N ATOM 1118 CA ILE A 85 -1.097 9.217 4.064 1.00 0.00 C ATOM 1119 C ILE A 85 0.416 9.463 3.859 1.00 0.00 C ATOM 1120 O ILE A 85 0.843 10.591 4.089 1.00 0.00 O ATOM 1121 CB ILE A 85 -1.991 10.006 3.074 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -3.466 9.589 3.178 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -1.501 9.954 1.618 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -3.759 8.104 2.918 1.00 0.00 C ATOM 0 H ILE A 85 -1.271 10.551 5.668 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.274 8.159 3.871 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.909 11.048 3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.826 9.842 4.175 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.043 10.184 2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.178 10.529 0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.499 10.378 1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.479 8.919 1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.829 7.921 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.438 7.841 1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.218 7.494 3.642 1.00 0.00 H new ATOM 1136 N PRO A 86 1.138 8.492 3.274 1.00 0.00 N ATOM 1137 CA PRO A 86 0.629 7.173 2.826 1.00 0.00 C ATOM 1138 C PRO A 86 0.496 6.127 3.945 1.00 0.00 C ATOM 1139 O PRO A 86 1.327 6.068 4.844 1.00 0.00 O ATOM 1140 CB PRO A 86 1.594 6.746 1.718 1.00 0.00 C ATOM 1141 CG PRO A 86 2.917 7.408 2.103 1.00 0.00 C ATOM 1142 CD PRO A 86 2.514 8.707 2.805 1.00 0.00 C ATOM 0 HA PRO A 86 -0.399 7.254 2.472 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.690 5.661 1.669 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.251 7.080 0.739 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.503 6.767 2.762 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.530 7.607 1.224 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.182 8.926 3.638 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.567 9.555 2.122 1.00 0.00 H new ATOM 1150 N THR A 87 -0.568 5.344 3.864 1.00 0.00 N ATOM 1151 CA THR A 87 -0.856 4.239 4.811 1.00 0.00 C ATOM 1152 C THR A 87 -0.532 2.915 4.116 1.00 0.00 C ATOM 1153 O THR A 87 -0.890 2.732 2.955 1.00 0.00 O ATOM 1154 CB THR A 87 -2.356 4.148 5.151 1.00 0.00 C ATOM 1155 OG1 THR A 87 -3.040 5.374 4.921 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.569 3.631 6.578 1.00 0.00 C ATOM 0 H THR A 87 -1.275 5.446 3.135 1.00 0.00 H new ATOM 0 HA THR A 87 -0.270 4.424 5.711 1.00 0.00 H new ATOM 0 HB THR A 87 -2.796 3.422 4.468 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.553 6.106 5.353 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.637 3.577 6.790 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.129 2.638 6.675 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.092 4.309 7.286 1.00 0.00 H new ATOM 1164 N VAL A 88 0.075 2.004 4.873 1.00 0.00 N ATOM 1165 CA VAL A 88 0.381 0.662 4.363 1.00 0.00 C ATOM 1166 C VAL A 88 -0.098 -0.446 5.320 1.00 0.00 C ATOM 1167 O VAL A 88 0.228 -0.479 6.506 1.00 0.00 O ATOM 1168 CB VAL A 88 1.851 0.565 3.930 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.822 0.568 5.110 1.00 0.00 C ATOM 1170 CG2 VAL A 88 2.087 -0.650 3.034 1.00 0.00 C ATOM 0 H VAL A 88 0.365 2.165 5.837 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.198 0.488 3.456 1.00 0.00 H new ATOM 0 HB VAL A 88 2.058 1.466 3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.845 0.497 4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.704 1.492 5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.611 -0.283 5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.137 -0.690 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.825 -1.558 3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.467 -0.569 2.141 1.00 0.00 H new ATOM 1180 N LEU A 89 -0.955 -1.290 4.746 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.603 -2.412 5.449 1.00 0.00 C ATOM 1182 C LEU A 89 -1.266 -3.745 4.779 1.00 0.00 C ATOM 1183 O LEU A 89 -1.214 -3.843 3.542 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.140 -2.272 5.468 1.00 0.00 C ATOM 1185 CG LEU A 89 -3.695 -1.044 6.187 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -3.631 0.227 5.330 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.158 -1.286 6.527 1.00 0.00 C ATOM 0 H LEU A 89 -1.227 -1.218 3.766 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.223 -2.390 6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.496 -2.256 4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.560 -3.162 5.936 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.081 -0.896 7.076 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.039 1.066 5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.594 0.436 5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.214 0.082 4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.561 -0.413 7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.721 -1.459 5.610 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.242 -2.159 7.174 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.168 -4.785 5.607 1.00 0.00 N ATOM 1200 CA PHE A 90 -0.806 -6.148 5.195 1.00 0.00 C ATOM 1201 C PHE A 90 -1.897 -7.102 5.692 1.00 0.00 C ATOM 1202 O PHE A 90 -2.244 -7.178 6.868 1.00 0.00 O ATOM 1203 CB PHE A 90 0.545 -6.601 5.751 1.00 0.00 C ATOM 1204 CG PHE A 90 1.565 -5.474 5.906 1.00 0.00 C ATOM 1205 CD1 PHE A 90 2.156 -4.899 4.763 1.00 0.00 C ATOM 1206 CD2 PHE A 90 1.661 -4.839 7.170 1.00 0.00 C ATOM 1207 CE1 PHE A 90 2.819 -3.665 4.874 1.00 0.00 C ATOM 1208 CE2 PHE A 90 2.316 -3.594 7.278 1.00 0.00 C ATOM 1209 CZ PHE A 90 2.877 -3.024 6.128 1.00 0.00 C ATOM 0 H PHE A 90 -1.342 -4.705 6.609 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.722 -6.158 4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.387 -7.070 6.722 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.960 -7.364 5.092 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.100 -5.403 3.809 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.235 -5.306 8.046 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.279 -3.213 4.008 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.384 -3.089 8.230 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.368 -2.065 6.204 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.490 -7.716 4.677 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.667 -8.602 4.772 1.00 0.00 C ATOM 1221 C PHE A 91 -3.408 -10.021 4.315 1.00 0.00 C ATOM 1222 O PHE A 91 -2.820 -10.245 3.268 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.736 -8.040 3.828 1.00 0.00 C ATOM 1224 CG PHE A 91 -5.192 -6.627 4.149 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -6.188 -6.442 5.131 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -4.845 -5.589 3.256 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -6.867 -5.215 5.212 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -5.533 -4.360 3.335 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.539 -4.185 4.305 1.00 0.00 C ATOM 0 H PHE A 91 -2.157 -7.613 3.718 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.957 -8.633 5.822 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.347 -8.058 2.810 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.603 -8.700 3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.427 -7.241 5.818 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.065 -5.734 2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.631 -5.062 5.960 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -5.289 -3.557 2.655 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.069 -3.245 4.356 1.00 0.00 H new ATOM 1239 N LYS A 92 -4.170 -10.905 4.926 1.00 0.00 N ATOM 1240 CA LYS A 92 -4.291 -12.308 4.496 1.00 0.00 C ATOM 1241 C LYS A 92 -5.662 -12.419 3.801 1.00 0.00 C ATOM 1242 O LYS A 92 -6.675 -12.668 4.429 1.00 0.00 O ATOM 1243 CB LYS A 92 -4.187 -13.282 5.677 1.00 0.00 C ATOM 1244 CG LYS A 92 -4.396 -14.731 5.233 1.00 0.00 C ATOM 1245 CD LYS A 92 -3.230 -15.263 4.382 1.00 0.00 C ATOM 1246 CE LYS A 92 -3.544 -16.666 3.888 1.00 0.00 C ATOM 1247 NZ LYS A 92 -2.332 -17.232 3.290 1.00 0.00 N ATOM 0 H LYS A 92 -4.734 -10.680 5.745 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.477 -12.579 3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.208 -13.182 6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.930 -13.021 6.431 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.517 -15.363 6.113 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.321 -14.802 4.660 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.056 -14.601 3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.313 -15.273 4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.886 -17.290 4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.350 -16.638 3.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.531 -18.193 2.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.027 -16.636 2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.577 -17.269 4.004 1.00 0.00 H new ATOM 1261 N ASN A 93 -5.680 -11.801 2.619 1.00 0.00 N ATOM 1262 CA ASN A 93 -6.872 -11.729 1.751 1.00 0.00 C ATOM 1263 C ASN A 93 -8.013 -10.990 2.474 1.00 0.00 C ATOM 1264 O ASN A 93 -9.006 -11.547 2.934 1.00 0.00 O ATOM 1265 CB ASN A 93 -7.301 -13.137 1.293 1.00 0.00 C ATOM 1266 CG ASN A 93 -6.227 -13.823 0.455 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -5.894 -13.430 -0.657 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -5.602 -14.828 1.033 1.00 0.00 N ATOM 0 H ASN A 93 -4.864 -11.330 2.228 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.622 -11.161 0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.524 -13.749 2.167 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -8.221 -13.064 0.712 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.829 -15.291 0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.891 -15.144 1.959 1.00 0.00 H new ATOM 1275 N GLY A 94 -7.730 -9.703 2.678 1.00 0.00 N ATOM 1276 CA GLY A 94 -8.574 -8.762 3.438 1.00 0.00 C ATOM 1277 C GLY A 94 -8.585 -8.930 4.961 1.00 0.00 C ATOM 1278 O GLY A 94 -9.140 -8.093 5.666 1.00 0.00 O ATOM 0 H GLY A 94 -6.884 -9.267 2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.246 -7.748 3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.598 -8.855 3.077 1.00 0.00 H new ATOM 1282 N GLU A 95 -7.795 -9.873 5.464 1.00 0.00 N ATOM 1283 CA GLU A 95 -7.724 -10.178 6.902 1.00 0.00 C ATOM 1284 C GLU A 95 -6.454 -9.559 7.467 1.00 0.00 C ATOM 1285 O GLU A 95 -5.342 -10.035 7.248 1.00 0.00 O ATOM 1286 CB GLU A 95 -7.721 -11.688 7.156 1.00 0.00 C ATOM 1287 CG GLU A 95 -8.985 -12.368 6.611 1.00 0.00 C ATOM 1288 CD GLU A 95 -8.918 -13.891 6.768 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -9.562 -14.383 7.721 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -8.220 -14.531 5.963 1.00 0.00 O ATOM 0 H GLU A 95 -7.182 -10.453 4.891 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.604 -9.763 7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.841 -12.132 6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.642 -11.875 8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.860 -11.986 7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.110 -12.115 5.558 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.675 -8.417 8.088 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.608 -7.532 8.559 1.00 0.00 C ATOM 1300 C ARG A 96 -4.704 -8.119 9.645 1.00 0.00 C ATOM 1301 O ARG A 96 -5.143 -8.494 10.731 1.00 0.00 O ATOM 1302 CB ARG A 96 -6.202 -6.192 9.005 1.00 0.00 C ATOM 1303 CG ARG A 96 -5.134 -5.122 8.889 1.00 0.00 C ATOM 1304 CD ARG A 96 -5.694 -3.719 9.116 1.00 0.00 C ATOM 1305 NE ARG A 96 -5.635 -3.277 10.524 1.00 0.00 N ATOM 1306 CZ ARG A 96 -5.814 -2.029 10.962 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -6.054 -1.011 10.147 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -5.713 -1.762 12.250 1.00 0.00 N ATOM 0 H ARG A 96 -7.612 -8.066 8.286 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.947 -7.389 7.704 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.062 -5.936 8.386 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.558 -6.260 10.033 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.345 -5.318 9.615 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.677 -5.173 7.901 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.140 -3.012 8.499 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.730 -3.692 8.779 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.440 -3.991 11.226 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.108 -1.166 9.140 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.184 -0.073 10.527 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.498 -2.509 12.910 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.850 -0.808 12.585 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.449 -8.213 9.236 1.00 0.00 N ATOM 1323 CA LYS A 97 -2.342 -8.756 10.040 1.00 0.00 C ATOM 1324 C LYS A 97 -1.597 -7.618 10.764 1.00 0.00 C ATOM 1325 O LYS A 97 -1.304 -7.716 11.952 1.00 0.00 O ATOM 1326 CB LYS A 97 -1.389 -9.529 9.125 1.00 0.00 C ATOM 1327 CG LYS A 97 -2.200 -10.594 8.386 1.00 0.00 C ATOM 1328 CD LYS A 97 -1.338 -11.525 7.557 1.00 0.00 C ATOM 1329 CE LYS A 97 -0.768 -10.908 6.279 1.00 0.00 C ATOM 1330 NZ LYS A 97 0.035 -11.944 5.618 1.00 0.00 N ATOM 0 H LYS A 97 -3.153 -7.907 8.309 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.739 -9.432 10.797 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.911 -8.854 8.415 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.594 -9.993 9.708 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.765 -11.180 9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.926 -10.105 7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.511 -11.876 8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.929 -12.401 7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.571 -10.568 5.625 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.156 -10.037 6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.767 -11.494 5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.488 -12.544 6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.580 -12.529 5.017 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.292 -6.568 10.004 1.00 0.00 N ATOM 1345 CA GLU A 98 -0.598 -5.371 10.511 1.00 0.00 C ATOM 1346 C GLU A 98 -0.892 -4.145 9.633 1.00 0.00 C ATOM 1347 O GLU A 98 -1.283 -4.281 8.468 1.00 0.00 O ATOM 1348 CB GLU A 98 0.912 -5.671 10.573 1.00 0.00 C ATOM 1349 CG GLU A 98 1.724 -4.686 11.427 1.00 0.00 C ATOM 1350 CD GLU A 98 1.395 -4.795 12.922 1.00 0.00 C ATOM 1351 OE1 GLU A 98 0.384 -4.186 13.331 1.00 0.00 O ATOM 1352 OE2 GLU A 98 2.196 -5.464 13.614 1.00 0.00 O ATOM 0 H GLU A 98 -1.518 -6.517 9.011 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.961 -5.132 11.511 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.053 -6.677 10.968 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.312 -5.668 9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.788 -4.872 11.278 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.528 -3.669 11.088 1.00 0.00 H new ATOM 1360 N SER A 99 -0.831 -2.974 10.271 1.00 0.00 N ATOM 1361 CA SER A 99 -0.987 -1.671 9.609 1.00 0.00 C ATOM 1362 C SER A 99 -0.046 -0.599 10.169 1.00 0.00 C ATOM 1363 O SER A 99 0.173 -0.485 11.381 1.00 0.00 O ATOM 1364 CB SER A 99 -2.428 -1.153 9.707 1.00 0.00 C ATOM 1365 OG SER A 99 -2.888 -1.138 11.061 1.00 0.00 O ATOM 0 H SER A 99 -0.670 -2.900 11.275 1.00 0.00 H new ATOM 0 HA SER A 99 -0.727 -1.850 8.566 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.483 -0.147 9.292 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.084 -1.783 9.106 1.00 0.00 H new ATOM 0 HG SER A 99 -3.540 -0.415 11.177 1.00 0.00 H new ATOM 1371 N ILE A 100 0.685 -0.009 9.231 1.00 0.00 N ATOM 1372 CA ILE A 100 1.593 1.127 9.463 1.00 0.00 C ATOM 1373 C ILE A 100 0.965 2.359 8.799 1.00 0.00 C ATOM 1374 O ILE A 100 0.892 2.472 7.575 1.00 0.00 O ATOM 1375 CB ILE A 100 2.988 0.804 8.881 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.600 -0.497 9.438 1.00 0.00 C ATOM 1377 CG2 ILE A 100 3.963 1.988 9.007 1.00 0.00 C ATOM 1378 CD1 ILE A 100 3.617 -0.608 10.970 1.00 0.00 C ATOM 0 H ILE A 100 0.668 -0.310 8.257 1.00 0.00 H new ATOM 0 HA ILE A 100 1.729 1.322 10.527 1.00 0.00 H new ATOM 0 HB ILE A 100 2.822 0.629 7.818 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.044 -1.343 9.035 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.623 -0.584 9.072 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.929 1.711 8.584 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.564 2.847 8.468 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.088 2.246 10.059 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.066 -1.557 11.261 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.200 0.213 11.388 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.597 -0.558 11.350 1.00 0.00 H new ATOM 1390 N ILE A 101 0.469 3.233 9.667 1.00 0.00 N ATOM 1391 CA ILE A 101 -0.200 4.490 9.269 1.00 0.00 C ATOM 1392 C ILE A 101 0.632 5.444 8.383 1.00 0.00 C ATOM 1393 O ILE A 101 0.063 6.122 7.524 1.00 0.00 O ATOM 1394 CB ILE A 101 -0.789 5.118 10.556 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -2.164 5.739 10.292 1.00 0.00 C ATOM 1396 CG2 ILE A 101 0.148 6.095 11.274 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -3.243 4.662 10.116 1.00 0.00 C ATOM 0 H ILE A 101 0.514 3.099 10.677 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.007 4.262 8.573 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.912 4.288 11.252 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.434 6.394 11.121 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.118 6.360 9.397 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.346 6.486 12.163 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.061 5.576 11.565 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.396 6.919 10.605 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.206 5.138 9.930 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.985 4.023 9.271 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.306 4.058 11.021 1.00 0.00 H new ATOM 1409 N GLY A 102 1.950 5.420 8.568 1.00 0.00 N ATOM 1410 CA GLY A 102 2.916 6.249 7.813 1.00 0.00 C ATOM 1411 C GLY A 102 3.950 5.406 7.071 1.00 0.00 C ATOM 1412 O GLY A 102 5.001 5.061 7.606 1.00 0.00 O ATOM 0 H GLY A 102 2.396 4.815 9.258 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.377 6.870 7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.427 6.924 8.500 1.00 0.00 H new ATOM 1416 N ALA A 103 3.676 5.173 5.792 1.00 0.00 N ATOM 1417 CA ALA A 103 4.492 4.374 4.860 1.00 0.00 C ATOM 1418 C ALA A 103 5.753 5.051 4.287 1.00 0.00 C ATOM 1419 O ALA A 103 6.220 4.763 3.181 1.00 0.00 O ATOM 1420 CB ALA A 103 3.574 3.894 3.732 1.00 0.00 C ATOM 0 H ALA A 103 2.840 5.551 5.347 1.00 0.00 H new ATOM 0 HA ALA A 103 4.904 3.552 5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.149 3.298 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.771 3.286 4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.147 4.756 3.219 1.00 0.00 H new ATOM 1426 N VAL A 104 6.426 5.798 5.156 1.00 0.00 N ATOM 1427 CA VAL A 104 7.647 6.545 4.791 1.00 0.00 C ATOM 1428 C VAL A 104 8.957 5.857 5.268 1.00 0.00 C ATOM 1429 O VAL A 104 9.825 5.659 4.415 1.00 0.00 O ATOM 1430 CB VAL A 104 7.495 8.049 5.084 1.00 0.00 C ATOM 1431 CG1 VAL A 104 8.804 8.848 4.989 1.00 0.00 C ATOM 1432 CG2 VAL A 104 6.459 8.677 4.138 1.00 0.00 C ATOM 0 H VAL A 104 6.150 5.909 6.132 1.00 0.00 H new ATOM 0 HA VAL A 104 7.767 6.504 3.708 1.00 0.00 H new ATOM 0 HB VAL A 104 7.164 8.107 6.121 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.607 9.897 5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 104 9.523 8.455 5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.212 8.760 3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.363 9.740 4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.784 8.548 3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.495 8.189 4.279 1.00 0.00 H new ATOM 1442 N PRO A 105 9.122 5.445 6.547 1.00 0.00 N ATOM 1443 CA PRO A 105 10.348 4.758 6.984 1.00 0.00 C ATOM 1444 C PRO A 105 10.321 3.278 6.586 1.00 0.00 C ATOM 1445 O PRO A 105 9.820 2.404 7.286 1.00 0.00 O ATOM 1446 CB PRO A 105 10.430 4.990 8.491 1.00 0.00 C ATOM 1447 CG PRO A 105 8.964 5.096 8.913 1.00 0.00 C ATOM 1448 CD PRO A 105 8.278 5.762 7.719 1.00 0.00 C ATOM 0 HA PRO A 105 11.244 5.148 6.500 1.00 0.00 H new ATOM 0 HB2 PRO A 105 10.936 4.168 8.997 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.983 5.899 8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.537 4.115 9.121 1.00 0.00 H new ATOM 0 HG3 PRO A 105 8.852 5.691 9.819 1.00 0.00 H new ATOM 0 HD2 PRO A 105 7.265 5.382 7.587 1.00 0.00 H new ATOM 0 HD3 PRO A 105 8.198 6.839 7.864 1.00 0.00 H new ATOM 1456 N LYS A 106 10.961 3.045 5.449 1.00 0.00 N ATOM 1457 CA LYS A 106 11.104 1.756 4.750 1.00 0.00 C ATOM 1458 C LYS A 106 11.316 0.540 5.670 1.00 0.00 C ATOM 1459 O LYS A 106 10.484 -0.358 5.710 1.00 0.00 O ATOM 1460 CB LYS A 106 12.265 1.980 3.765 1.00 0.00 C ATOM 1461 CG LYS A 106 12.365 0.933 2.648 1.00 0.00 C ATOM 1462 CD LYS A 106 13.179 -0.278 3.081 1.00 0.00 C ATOM 1463 CE LYS A 106 13.146 -1.337 1.988 1.00 0.00 C ATOM 1464 NZ LYS A 106 14.066 -2.397 2.392 1.00 0.00 N ATOM 0 H LYS A 106 11.431 3.799 4.947 1.00 0.00 H new ATOM 0 HA LYS A 106 10.176 1.487 4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.155 2.966 3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.201 1.988 4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 106 11.364 0.614 2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.823 1.383 1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 106 14.209 0.017 3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 106 12.776 -0.686 4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.137 -1.730 1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 106 13.445 -0.912 1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 14.793 -2.523 1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 14.521 -2.138 3.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 13.540 -3.286 2.514 1.00 0.00 H new ATOM 1478 N SER A 107 12.281 0.671 6.581 1.00 0.00 N ATOM 1479 CA SER A 107 12.666 -0.402 7.530 1.00 0.00 C ATOM 1480 C SER A 107 11.539 -0.907 8.439 1.00 0.00 C ATOM 1481 O SER A 107 11.367 -2.116 8.600 1.00 0.00 O ATOM 1482 CB SER A 107 13.843 0.080 8.375 1.00 0.00 C ATOM 1483 OG SER A 107 13.567 1.411 8.841 1.00 0.00 O ATOM 0 H SER A 107 12.827 1.525 6.691 1.00 0.00 H new ATOM 0 HA SER A 107 12.937 -1.261 6.917 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.000 -0.590 9.220 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.760 0.070 7.785 1.00 0.00 H new ATOM 0 HG SER A 107 14.317 1.729 9.386 1.00 0.00 H new ATOM 1489 N THR A 108 10.730 0.013 8.961 1.00 0.00 N ATOM 1490 CA THR A 108 9.541 -0.293 9.796 1.00 0.00 C ATOM 1491 C THR A 108 8.522 -1.192 9.079 1.00 0.00 C ATOM 1492 O THR A 108 8.010 -2.160 9.635 1.00 0.00 O ATOM 1493 CB THR A 108 8.899 1.052 10.189 1.00 0.00 C ATOM 1494 OG1 THR A 108 9.921 1.908 10.695 1.00 0.00 O ATOM 1495 CG2 THR A 108 7.757 0.898 11.188 1.00 0.00 C ATOM 0 H THR A 108 10.874 1.013 8.821 1.00 0.00 H new ATOM 0 HA THR A 108 9.858 -0.854 10.675 1.00 0.00 H new ATOM 0 HB THR A 108 8.446 1.492 9.300 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.530 2.770 10.949 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.346 1.879 11.425 1.00 0.00 H new ATOM 0 HG22 THR A 108 6.976 0.273 10.755 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.131 0.431 12.099 1.00 0.00 H new ATOM 1503 N LEU A 109 8.289 -0.835 7.825 1.00 0.00 N ATOM 1504 CA LEU A 109 7.446 -1.588 6.878 1.00 0.00 C ATOM 1505 C LEU A 109 8.011 -3.001 6.664 1.00 0.00 C ATOM 1506 O LEU A 109 7.319 -3.975 6.932 1.00 0.00 O ATOM 1507 CB LEU A 109 7.413 -0.893 5.515 1.00 0.00 C ATOM 1508 CG LEU A 109 6.528 0.356 5.516 1.00 0.00 C ATOM 1509 CD1 LEU A 109 7.076 1.574 6.245 1.00 0.00 C ATOM 1510 CD2 LEU A 109 6.293 0.763 4.057 1.00 0.00 C ATOM 0 H LEU A 109 8.688 0.010 7.416 1.00 0.00 H new ATOM 0 HA LEU A 109 6.443 -1.638 7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.427 -0.616 5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.048 -1.592 4.763 1.00 0.00 H new ATOM 0 HG LEU A 109 5.627 0.069 6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.360 2.393 6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.243 1.326 7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.019 1.877 5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.664 1.653 4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.250 0.977 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.798 -0.051 3.527 1.00 0.00 H new ATOM 1522 N THR A 110 9.336 -3.062 6.504 1.00 0.00 N ATOM 1523 CA THR A 110 10.030 -4.348 6.279 1.00 0.00 C ATOM 1524 C THR A 110 9.894 -5.282 7.484 1.00 0.00 C ATOM 1525 O THR A 110 9.419 -6.417 7.400 1.00 0.00 O ATOM 1526 CB THR A 110 11.494 -4.224 5.895 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.729 -3.087 5.055 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.810 -5.512 5.131 1.00 0.00 C ATOM 0 H THR A 110 9.951 -2.248 6.525 1.00 0.00 H new ATOM 0 HA THR A 110 9.520 -4.777 5.416 1.00 0.00 H new ATOM 0 HB THR A 110 12.122 -4.087 6.775 1.00 0.00 H new ATOM 0 HG1 THR A 110 12.679 -2.847 5.087 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.854 -5.502 4.817 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.634 -6.371 5.778 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.167 -5.581 4.253 1.00 0.00 H new ATOM 1536 N ASP A 111 10.119 -4.674 8.635 1.00 0.00 N ATOM 1537 CA ASP A 111 9.966 -5.296 9.956 1.00 0.00 C ATOM 1538 C ASP A 111 8.549 -5.870 10.138 1.00 0.00 C ATOM 1539 O ASP A 111 8.380 -7.087 10.238 1.00 0.00 O ATOM 1540 CB ASP A 111 10.235 -4.142 10.923 1.00 0.00 C ATOM 1541 CG ASP A 111 10.622 -4.572 12.346 1.00 0.00 C ATOM 1542 OD1 ASP A 111 11.285 -5.630 12.485 1.00 0.00 O ATOM 1543 OD2 ASP A 111 10.294 -3.798 13.267 1.00 0.00 O ATOM 0 H ASP A 111 10.424 -3.702 8.687 1.00 0.00 H new ATOM 0 HA ASP A 111 10.637 -6.140 10.113 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.035 -3.523 10.515 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.344 -3.516 10.977 1.00 0.00 H new ATOM 1549 N SER A 112 7.564 -5.037 9.794 1.00 0.00 N ATOM 1550 CA SER A 112 6.127 -5.338 9.910 1.00 0.00 C ATOM 1551 C SER A 112 5.567 -6.500 9.097 1.00 0.00 C ATOM 1552 O SER A 112 4.557 -7.071 9.493 1.00 0.00 O ATOM 1553 CB SER A 112 5.273 -4.105 9.610 1.00 0.00 C ATOM 1554 OG SER A 112 5.572 -3.074 10.539 1.00 0.00 O ATOM 0 H SER A 112 7.745 -4.107 9.416 1.00 0.00 H new ATOM 0 HA SER A 112 6.062 -5.658 10.950 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.463 -3.758 8.594 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.215 -4.362 9.666 1.00 0.00 H new ATOM 0 HG SER A 112 6.436 -2.670 10.313 1.00 0.00 H new ATOM 1560 N ILE A 113 6.143 -6.785 7.933 1.00 0.00 N ATOM 1561 CA ILE A 113 5.682 -7.927 7.118 1.00 0.00 C ATOM 1562 C ILE A 113 6.502 -9.194 7.405 1.00 0.00 C ATOM 1563 O ILE A 113 5.968 -10.270 7.683 1.00 0.00 O ATOM 1564 CB ILE A 113 5.672 -7.816 5.598 1.00 0.00 C ATOM 1565 CG1 ILE A 113 6.163 -6.491 5.077 1.00 0.00 C ATOM 1566 CG2 ILE A 113 4.298 -8.106 5.043 1.00 0.00 C ATOM 1567 CD1 ILE A 113 7.664 -6.586 5.024 1.00 0.00 C ATOM 0 H ILE A 113 6.917 -6.257 7.530 1.00 0.00 H new ATOM 0 HA ILE A 113 4.641 -7.954 7.439 1.00 0.00 H new ATOM 0 HB ILE A 113 6.379 -8.569 5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.752 -6.286 4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 113 5.848 -5.676 5.729 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.319 -8.020 3.957 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.999 -9.117 5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.583 -7.391 5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.075 -5.648 4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.052 -6.780 6.024 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.954 -7.399 4.358 1.00 0.00 H new ATOM 1579 N GLU A 114 7.811 -8.959 7.509 1.00 0.00 N ATOM 1580 CA GLU A 114 8.834 -10.006 7.633 1.00 0.00 C ATOM 1581 C GLU A 114 9.010 -10.580 9.052 1.00 0.00 C ATOM 1582 O GLU A 114 10.014 -11.188 9.428 1.00 0.00 O ATOM 1583 CB GLU A 114 10.139 -9.507 7.013 1.00 0.00 C ATOM 1584 CG GLU A 114 9.923 -9.488 5.502 1.00 0.00 C ATOM 1585 CD GLU A 114 11.251 -9.539 4.751 1.00 0.00 C ATOM 1586 OE1 GLU A 114 11.692 -8.453 4.307 1.00 0.00 O ATOM 1587 OE2 GLU A 114 11.793 -10.652 4.623 1.00 0.00 O ATOM 0 H GLU A 114 8.201 -8.016 7.510 1.00 0.00 H new ATOM 0 HA GLU A 114 8.481 -10.872 7.073 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.388 -8.512 7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.969 -10.162 7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.305 -10.337 5.210 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.379 -8.586 5.222 1.00 0.00 H new ATOM 1595 N LYS A 115 8.022 -10.202 9.841 1.00 0.00 N ATOM 1596 CA LYS A 115 7.639 -10.686 11.173 1.00 0.00 C ATOM 1597 C LYS A 115 6.934 -12.049 11.019 1.00 0.00 C ATOM 1598 O LYS A 115 7.282 -13.021 11.685 1.00 0.00 O ATOM 1599 CB LYS A 115 6.670 -9.583 11.580 1.00 0.00 C ATOM 1600 CG LYS A 115 6.048 -9.726 12.973 1.00 0.00 C ATOM 1601 CD LYS A 115 5.006 -8.620 13.177 1.00 0.00 C ATOM 1602 CE LYS A 115 5.617 -7.220 13.314 1.00 0.00 C ATOM 1603 NZ LYS A 115 6.282 -7.113 14.617 1.00 0.00 N ATOM 0 H LYS A 115 7.389 -9.462 9.536 1.00 0.00 H new ATOM 0 HA LYS A 115 8.444 -10.850 11.889 1.00 0.00 H new ATOM 0 HB2 LYS A 115 7.194 -8.628 11.532 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.866 -9.542 10.846 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.581 -10.705 13.077 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.821 -9.659 13.738 1.00 0.00 H new ATOM 0 HD2 LYS A 115 4.314 -8.625 12.335 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.423 -8.842 14.071 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.332 -7.041 12.511 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.841 -6.460 13.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.565 -6.126 14.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.628 -7.416 15.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.125 -7.722 14.627 1.00 0.00 H new ATOM 1617 N TYR A 116 5.979 -12.091 10.087 1.00 0.00 N ATOM 1618 CA TYR A 116 5.159 -13.276 9.757 1.00 0.00 C ATOM 1619 C TYR A 116 5.582 -13.974 8.464 1.00 0.00 C ATOM 1620 O TYR A 116 6.032 -15.122 8.516 1.00 0.00 O ATOM 1621 CB TYR A 116 3.649 -12.989 9.770 1.00 0.00 C ATOM 1622 CG TYR A 116 3.245 -11.614 9.228 1.00 0.00 C ATOM 1623 CD1 TYR A 116 2.936 -11.428 7.868 1.00 0.00 C ATOM 1624 CD2 TYR A 116 3.137 -10.592 10.192 1.00 0.00 C ATOM 1625 CE1 TYR A 116 2.537 -10.143 7.455 1.00 0.00 C ATOM 1626 CE2 TYR A 116 2.714 -9.323 9.776 1.00 0.00 C ATOM 1627 CZ TYR A 116 2.442 -9.114 8.410 1.00 0.00 C ATOM 1628 OH TYR A 116 2.091 -7.866 8.033 1.00 0.00 O ATOM 0 H TYR A 116 5.742 -11.278 9.518 1.00 0.00 H new ATOM 0 HA TYR A 116 5.358 -13.978 10.567 1.00 0.00 H new ATOM 0 HB2 TYR A 116 3.144 -13.756 9.184 1.00 0.00 H new ATOM 0 HB3 TYR A 116 3.286 -13.080 10.794 1.00 0.00 H new ATOM 0 HD1 TYR A 116 3.003 -12.244 7.164 1.00 0.00 H new ATOM 0 HD2 TYR A 116 3.375 -10.783 11.228 1.00 0.00 H new ATOM 0 HE1 TYR A 116 2.307 -9.949 6.418 1.00 0.00 H new ATOM 0 HE2 TYR A 116 2.599 -8.520 10.489 1.00 0.00 H new ATOM 0 HH TYR A 116 2.742 -7.223 8.384 1.00 0.00 H new ATOM 1638 N LEU A 117 5.503 -13.278 7.329 1.00 0.00 N ATOM 1639 CA LEU A 117 5.950 -13.838 6.031 1.00 0.00 C ATOM 1640 C LEU A 117 7.457 -13.599 5.847 1.00 0.00 C ATOM 1641 O LEU A 117 7.974 -12.830 5.052 1.00 0.00 O ATOM 1642 CB LEU A 117 5.074 -13.421 4.841 1.00 0.00 C ATOM 1643 CG LEU A 117 4.879 -11.907 4.647 1.00 0.00 C ATOM 1644 CD1 LEU A 117 5.942 -11.288 3.737 1.00 0.00 C ATOM 1645 CD2 LEU A 117 3.525 -11.702 3.972 1.00 0.00 C ATOM 0 H LEU A 117 5.137 -12.328 7.271 1.00 0.00 H new ATOM 0 HA LEU A 117 5.804 -14.918 6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.512 -13.831 3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.093 -13.882 4.958 1.00 0.00 H new ATOM 0 HG LEU A 117 4.949 -11.429 5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.756 -10.219 3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.929 -11.445 4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 117 5.899 -11.759 2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 117 3.353 -10.637 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.517 -12.213 3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.737 -12.109 4.606 1.00 0.00 H new