USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=24 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 84 SER OG : rot -110:sc= 0.00499 USER MOD Set 1.2: A 87 THR OG1 : rot -43:sc= 1.01 USER MOD Set 2.1: A 29 SER OG : rot 169:sc= 1.72 USER MOD Set 2.2: A 66 TYR OH : rot 70:sc= -0.234 USER MOD Set 3.1: A 23 LYS NZ :NH3+ 129:sc=-0.00907 (180deg=-0.229) USER MOD Set 3.2: A 79 GLN : amide:sc= 0.509 K(o=1.9,f=-3.6) USER MOD Set 3.3: A 80 TYR OH : rot 155:sc= 1.36 USER MOD Single : A 15 GLN : amide:sc= -0.0506 X(o=-0.051,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.505 K(o=-0.51,f=-3.9!) USER MOD Single : A 20 SER OG : rot 109:sc= 0.5 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -128:sc= -5.42! (180deg=-9.81!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 130:sc= 0 USER MOD Single : A 60 SER OG : rot 82:sc= 0.716 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -107:sc= 0.0317 (180deg=-0.00644) USER MOD Single : A 69 ASN : amide:sc= 1.81 K(o=1.8,f=-3.8!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 65:sc= 0.86 USER MOD Single : A 81 ASN : amide:sc= -0.419 X(o=-0.42,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -129:sc= -1.42 (180deg=-4.9!) USER MOD Single : A 93 ASN : amide:sc= 0.566 K(o=0.57,f=-5!) USER MOD Single : A 97 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00417) USER MOD Single : A 99 SER OG : rot 80:sc= -0.022 USER MOD Single : A 106 LYS NZ :NH3+ -157:sc= 0.866 (180deg=0.0981) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0374 USER MOD Single : A 108 THR OG1 : rot -150:sc= -0.268 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0689 USER MOD Single : A 112 SER OG : rot -132:sc= 0.794 USER MOD Single : A 115 LYS NZ :NH3+ -164:sc= -0.0338 (180deg=-0.289) USER MOD Single : A 116 TYR OH : rot 50:sc= -1.81! USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -1.921 -4.010 -9.130 1.00 0.00 N ATOM 2 CA VAL A 14 -3.105 -3.140 -9.243 1.00 0.00 C ATOM 3 C VAL A 14 -3.542 -2.726 -10.653 1.00 0.00 C ATOM 4 O VAL A 14 -2.754 -2.687 -11.602 1.00 0.00 O ATOM 5 CB VAL A 14 -2.860 -1.926 -8.318 1.00 0.00 C ATOM 6 CG1 VAL A 14 -2.127 -0.753 -8.980 1.00 0.00 C ATOM 7 CG2 VAL A 14 -4.157 -1.445 -7.683 1.00 0.00 C ATOM 0 HA VAL A 14 -3.966 -3.732 -8.932 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.188 -2.299 -7.545 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.000 0.052 -8.256 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.149 -1.085 -9.329 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.710 -0.391 -9.827 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.951 -0.591 -7.038 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.857 -1.150 -8.465 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.593 -2.250 -7.091 1.00 0.00 H new ATOM 17 N GLN A 15 -4.865 -2.669 -10.761 1.00 0.00 N ATOM 18 CA GLN A 15 -5.598 -1.882 -11.776 1.00 0.00 C ATOM 19 C GLN A 15 -6.604 -1.011 -11.017 1.00 0.00 C ATOM 20 O GLN A 15 -7.807 -1.247 -11.003 1.00 0.00 O ATOM 21 CB GLN A 15 -6.283 -2.757 -12.838 1.00 0.00 C ATOM 22 CG GLN A 15 -5.304 -3.319 -13.862 1.00 0.00 C ATOM 23 CD GLN A 15 -5.146 -4.831 -13.683 1.00 0.00 C ATOM 24 OE1 GLN A 15 -5.884 -5.635 -14.224 1.00 0.00 O ATOM 25 NE2 GLN A 15 -4.161 -5.235 -12.913 1.00 0.00 N ATOM 0 H GLN A 15 -5.485 -3.180 -10.132 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.898 -1.267 -12.342 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.799 -3.581 -12.345 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.042 -2.168 -13.353 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.659 -3.102 -14.870 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.335 -2.831 -13.753 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.550 -4.552 -12.466 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.007 -6.232 -12.763 1.00 0.00 H new ATOM 34 N ASP A 16 -6.023 -0.127 -10.199 1.00 0.00 N ATOM 35 CA ASP A 16 -6.718 0.794 -9.273 1.00 0.00 C ATOM 36 C ASP A 16 -7.895 0.212 -8.482 1.00 0.00 C ATOM 37 O ASP A 16 -9.062 0.392 -8.813 1.00 0.00 O ATOM 38 CB ASP A 16 -7.062 2.100 -9.997 1.00 0.00 C ATOM 39 CG ASP A 16 -5.803 2.950 -10.163 1.00 0.00 C ATOM 40 OD1 ASP A 16 -5.030 2.650 -11.093 1.00 0.00 O ATOM 41 OD2 ASP A 16 -5.647 3.859 -9.327 1.00 0.00 O ATOM 0 H ASP A 16 -5.009 -0.024 -10.157 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.003 0.999 -8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.495 1.882 -10.973 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.812 2.653 -9.432 1.00 0.00 H new ATOM 47 N VAL A 17 -7.522 -0.181 -7.274 1.00 0.00 N ATOM 48 CA VAL A 17 -8.409 -0.873 -6.325 1.00 0.00 C ATOM 49 C VAL A 17 -9.358 0.022 -5.487 1.00 0.00 C ATOM 50 O VAL A 17 -9.767 -0.367 -4.398 1.00 0.00 O ATOM 51 CB VAL A 17 -7.543 -1.753 -5.406 1.00 0.00 C ATOM 52 CG1 VAL A 17 -7.203 -3.069 -6.084 1.00 0.00 C ATOM 53 CG2 VAL A 17 -6.314 -1.098 -4.768 1.00 0.00 C ATOM 0 H VAL A 17 -6.581 -0.030 -6.911 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.094 -1.462 -6.935 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.182 -1.936 -4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.590 -3.675 -5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.122 -3.605 -6.319 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.652 -2.873 -7.004 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.795 -1.827 -4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.643 -0.745 -5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.629 -0.255 -4.152 1.00 0.00 H new ATOM 63 N ASN A 18 -9.845 1.121 -6.068 1.00 0.00 N ATOM 64 CA ASN A 18 -10.663 2.113 -5.333 1.00 0.00 C ATOM 65 C ASN A 18 -12.144 1.675 -5.282 1.00 0.00 C ATOM 66 O ASN A 18 -12.979 2.120 -6.065 1.00 0.00 O ATOM 67 CB ASN A 18 -10.523 3.510 -5.940 1.00 0.00 C ATOM 68 CG ASN A 18 -9.073 3.865 -6.278 1.00 0.00 C ATOM 69 OD1 ASN A 18 -8.242 4.232 -5.449 1.00 0.00 O ATOM 70 ND2 ASN A 18 -8.751 3.785 -7.541 1.00 0.00 N ATOM 0 H ASN A 18 -9.691 1.355 -7.049 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.289 2.160 -4.310 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.128 3.571 -6.845 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.920 4.247 -5.241 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.807 4.027 -7.843 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.443 3.480 -8.225 1.00 0.00 H new ATOM 77 N ASP A 19 -12.397 0.771 -4.336 1.00 0.00 N ATOM 78 CA ASP A 19 -13.640 -0.030 -4.186 1.00 0.00 C ATOM 79 C ASP A 19 -13.797 -1.090 -5.271 1.00 0.00 C ATOM 80 O ASP A 19 -14.129 -2.243 -4.982 1.00 0.00 O ATOM 81 CB ASP A 19 -14.909 0.837 -4.127 1.00 0.00 C ATOM 82 CG ASP A 19 -15.453 0.961 -2.706 1.00 0.00 C ATOM 83 OD1 ASP A 19 -16.467 0.288 -2.437 1.00 0.00 O ATOM 84 OD2 ASP A 19 -14.838 1.724 -1.921 1.00 0.00 O ATOM 0 H ASP A 19 -11.714 0.557 -3.610 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.526 -0.535 -3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -14.688 1.830 -4.518 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -15.674 0.404 -4.771 1.00 0.00 H new ATOM 90 N SER A 20 -13.437 -0.697 -6.492 1.00 0.00 N ATOM 91 CA SER A 20 -13.378 -1.529 -7.706 1.00 0.00 C ATOM 92 C SER A 20 -12.444 -2.730 -7.523 1.00 0.00 C ATOM 93 O SER A 20 -11.225 -2.597 -7.371 1.00 0.00 O ATOM 94 CB SER A 20 -12.925 -0.653 -8.867 1.00 0.00 C ATOM 95 OG SER A 20 -11.780 0.110 -8.472 1.00 0.00 O ATOM 0 H SER A 20 -13.161 0.267 -6.678 1.00 0.00 H new ATOM 0 HA SER A 20 -14.368 -1.936 -7.913 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.682 -1.272 -9.730 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.732 0.014 -9.170 1.00 0.00 H new ATOM 0 HG SER A 20 -10.984 -0.235 -8.928 1.00 0.00 H new ATOM 101 N SER A 21 -13.124 -3.850 -7.284 1.00 0.00 N ATOM 102 CA SER A 21 -12.549 -5.194 -7.060 1.00 0.00 C ATOM 103 C SER A 21 -11.694 -5.379 -5.801 1.00 0.00 C ATOM 104 O SER A 21 -11.303 -6.513 -5.526 1.00 0.00 O ATOM 105 CB SER A 21 -11.780 -5.678 -8.298 1.00 0.00 C ATOM 106 OG SER A 21 -12.691 -5.738 -9.400 1.00 0.00 O ATOM 0 H SER A 21 -14.143 -3.855 -7.237 1.00 0.00 H new ATOM 0 HA SER A 21 -13.427 -5.814 -6.881 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.957 -4.999 -8.523 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.343 -6.659 -8.113 1.00 0.00 H new ATOM 0 HG SER A 21 -12.216 -6.044 -10.201 1.00 0.00 H new ATOM 112 N TRP A 22 -11.708 -4.389 -4.892 1.00 0.00 N ATOM 113 CA TRP A 22 -10.882 -4.395 -3.666 1.00 0.00 C ATOM 114 C TRP A 22 -11.016 -5.692 -2.840 1.00 0.00 C ATOM 115 O TRP A 22 -10.040 -6.377 -2.547 1.00 0.00 O ATOM 116 CB TRP A 22 -11.272 -3.163 -2.840 1.00 0.00 C ATOM 117 CG TRP A 22 -10.661 -3.124 -1.427 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.118 -3.785 -0.377 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.485 -2.501 -1.033 1.00 0.00 C ATOM 120 NE1 TRP A 22 -10.301 -3.649 0.669 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.266 -2.880 0.309 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.575 -1.646 -1.687 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.126 -2.444 1.007 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.417 -1.230 -1.003 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.201 -1.620 0.330 1.00 0.00 C ATOM 0 H TRP A 22 -12.293 -3.559 -4.984 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.831 -4.357 -3.952 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.965 -2.267 -3.380 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.358 -3.127 -2.754 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.032 -4.360 -0.367 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.442 -4.063 1.591 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.763 -1.315 -2.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.962 -2.732 2.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.691 -0.608 -1.505 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.313 -1.284 0.845 1.00 0.00 H new ATOM 136 N LYS A 23 -12.263 -6.111 -2.656 1.00 0.00 N ATOM 137 CA LYS A 23 -12.617 -7.260 -1.800 1.00 0.00 C ATOM 138 C LYS A 23 -12.163 -8.647 -2.284 1.00 0.00 C ATOM 139 O LYS A 23 -12.295 -9.649 -1.585 1.00 0.00 O ATOM 140 CB LYS A 23 -14.106 -7.207 -1.493 1.00 0.00 C ATOM 141 CG LYS A 23 -14.324 -5.999 -0.580 1.00 0.00 C ATOM 142 CD LYS A 23 -15.803 -5.776 -0.273 1.00 0.00 C ATOM 143 CE LYS A 23 -15.949 -4.671 0.783 1.00 0.00 C ATOM 144 NZ LYS A 23 -15.449 -3.385 0.278 1.00 0.00 N ATOM 0 H LYS A 23 -13.069 -5.666 -3.095 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.033 -7.143 -0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.687 -7.109 -2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.433 -8.125 -1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.778 -6.145 0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.913 -5.107 -1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.335 -5.497 -1.182 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.253 -6.700 0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.997 -4.571 1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.401 -4.949 1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.169 -2.650 0.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.579 -3.127 0.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.244 -3.467 -0.738 1.00 0.00 H new ATOM 158 N GLU A 24 -11.580 -8.650 -3.474 1.00 0.00 N ATOM 159 CA GLU A 24 -11.012 -9.861 -4.093 1.00 0.00 C ATOM 160 C GLU A 24 -9.560 -9.659 -4.516 1.00 0.00 C ATOM 161 O GLU A 24 -8.663 -10.242 -3.924 1.00 0.00 O ATOM 162 CB GLU A 24 -11.835 -10.264 -5.310 1.00 0.00 C ATOM 163 CG GLU A 24 -13.273 -10.525 -4.867 1.00 0.00 C ATOM 164 CD GLU A 24 -14.175 -9.891 -5.910 1.00 0.00 C ATOM 165 OE1 GLU A 24 -14.507 -8.696 -5.720 1.00 0.00 O ATOM 166 OE2 GLU A 24 -14.383 -10.559 -6.941 1.00 0.00 O ATOM 0 H GLU A 24 -11.482 -7.813 -4.048 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.042 -10.650 -3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.809 -9.475 -6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.414 -11.157 -5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.465 -11.595 -4.789 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.458 -10.095 -3.883 1.00 0.00 H new ATOM 174 N PHE A 25 -9.366 -8.546 -5.213 1.00 0.00 N ATOM 175 CA PHE A 25 -8.077 -8.112 -5.776 1.00 0.00 C ATOM 176 C PHE A 25 -7.046 -7.653 -4.729 1.00 0.00 C ATOM 177 O PHE A 25 -5.901 -7.371 -5.059 1.00 0.00 O ATOM 178 CB PHE A 25 -8.414 -6.987 -6.749 1.00 0.00 C ATOM 179 CG PHE A 25 -7.449 -6.915 -7.922 1.00 0.00 C ATOM 180 CD1 PHE A 25 -7.462 -7.929 -8.906 1.00 0.00 C ATOM 181 CD2 PHE A 25 -6.660 -5.750 -8.083 1.00 0.00 C ATOM 182 CE1 PHE A 25 -6.703 -7.759 -10.081 1.00 0.00 C ATOM 183 CE2 PHE A 25 -5.898 -5.580 -9.248 1.00 0.00 C ATOM 184 CZ PHE A 25 -5.924 -6.584 -10.241 1.00 0.00 C ATOM 0 H PHE A 25 -10.123 -7.893 -5.413 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.590 -8.958 -6.261 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -9.427 -7.130 -7.126 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -8.403 -6.036 -6.216 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.047 -8.825 -8.759 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.645 -4.995 -7.311 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.714 -8.515 -10.852 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.299 -4.692 -9.384 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.339 -6.455 -11.140 1.00 0.00 H new ATOM 194 N VAL A 26 -7.531 -7.476 -3.507 1.00 0.00 N ATOM 195 CA VAL A 26 -6.743 -7.144 -2.309 1.00 0.00 C ATOM 196 C VAL A 26 -7.077 -8.214 -1.266 1.00 0.00 C ATOM 197 O VAL A 26 -6.335 -9.191 -1.166 1.00 0.00 O ATOM 198 CB VAL A 26 -7.005 -5.703 -1.787 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.365 -5.426 -0.422 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.466 -4.668 -2.779 1.00 0.00 C ATOM 0 H VAL A 26 -8.527 -7.562 -3.306 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.678 -7.147 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.087 -5.622 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.587 -4.403 -0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.767 -6.120 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.285 -5.557 -0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.658 -3.665 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.393 -4.809 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.964 -4.792 -3.741 1.00 0.00 H new ATOM 210 N LEU A 27 -8.332 -8.232 -0.822 1.00 0.00 N ATOM 211 CA LEU A 27 -8.742 -9.100 0.299 1.00 0.00 C ATOM 212 C LEU A 27 -8.616 -10.611 0.045 1.00 0.00 C ATOM 213 O LEU A 27 -8.159 -11.338 0.922 1.00 0.00 O ATOM 214 CB LEU A 27 -10.147 -8.766 0.811 1.00 0.00 C ATOM 215 CG LEU A 27 -10.295 -7.324 1.339 1.00 0.00 C ATOM 216 CD1 LEU A 27 -11.703 -7.157 1.931 1.00 0.00 C ATOM 217 CD2 LEU A 27 -9.285 -6.963 2.426 1.00 0.00 C ATOM 0 H LEU A 27 -9.083 -7.663 -1.212 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.011 -8.868 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.863 -8.922 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.407 -9.463 1.608 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.116 -6.662 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.821 -6.141 2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.448 -7.346 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.841 -7.866 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.450 -5.935 2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.409 -7.634 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.274 -7.062 2.031 1.00 0.00 H new ATOM 229 N GLU A 28 -8.890 -11.038 -1.187 1.00 0.00 N ATOM 230 CA GLU A 28 -8.821 -12.483 -1.514 1.00 0.00 C ATOM 231 C GLU A 28 -7.906 -12.753 -2.733 1.00 0.00 C ATOM 232 O GLU A 28 -8.259 -13.460 -3.679 1.00 0.00 O ATOM 233 CB GLU A 28 -10.239 -13.040 -1.696 1.00 0.00 C ATOM 234 CG GLU A 28 -11.065 -13.035 -0.403 1.00 0.00 C ATOM 235 CD GLU A 28 -10.444 -13.890 0.711 1.00 0.00 C ATOM 236 OE1 GLU A 28 -10.359 -15.118 0.514 1.00 0.00 O ATOM 237 OE2 GLU A 28 -10.126 -13.299 1.773 1.00 0.00 O ATOM 0 H GLU A 28 -9.156 -10.433 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.360 -13.014 -0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.758 -12.452 -2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.175 -14.060 -2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.170 -12.009 -0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.068 -13.402 -0.618 1.00 0.00 H new ATOM 245 N SER A 29 -6.715 -12.164 -2.657 1.00 0.00 N ATOM 246 CA SER A 29 -5.682 -12.235 -3.705 1.00 0.00 C ATOM 247 C SER A 29 -4.612 -13.265 -3.314 1.00 0.00 C ATOM 248 O SER A 29 -4.935 -14.350 -2.836 1.00 0.00 O ATOM 249 CB SER A 29 -5.186 -10.775 -3.889 1.00 0.00 C ATOM 250 OG SER A 29 -4.148 -10.673 -4.864 1.00 0.00 O ATOM 0 H SER A 29 -6.428 -11.610 -1.850 1.00 0.00 H new ATOM 0 HA SER A 29 -6.040 -12.596 -4.669 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.024 -10.144 -4.186 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.823 -10.394 -2.934 1.00 0.00 H new ATOM 0 HG SER A 29 -3.992 -9.729 -5.078 1.00 0.00 H new ATOM 256 N GLU A 30 -3.342 -12.905 -3.490 1.00 0.00 N ATOM 257 CA GLU A 30 -2.157 -13.660 -3.035 1.00 0.00 C ATOM 258 C GLU A 30 -2.003 -13.304 -1.548 1.00 0.00 C ATOM 259 O GLU A 30 -1.401 -12.290 -1.202 1.00 0.00 O ATOM 260 CB GLU A 30 -0.979 -13.170 -3.873 1.00 0.00 C ATOM 261 CG GLU A 30 0.357 -13.828 -3.526 1.00 0.00 C ATOM 262 CD GLU A 30 1.486 -13.156 -4.301 1.00 0.00 C ATOM 263 OE1 GLU A 30 1.888 -12.042 -3.886 1.00 0.00 O ATOM 264 OE2 GLU A 30 1.876 -13.717 -5.352 1.00 0.00 O ATOM 0 H GLU A 30 -3.091 -12.043 -3.974 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.228 -14.742 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.197 -13.351 -4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.883 -12.091 -3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.543 -13.750 -2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.322 -14.891 -3.766 1.00 0.00 H new ATOM 272 N VAL A 31 -3.020 -13.819 -0.866 1.00 0.00 N ATOM 273 CA VAL A 31 -3.356 -13.681 0.572 1.00 0.00 C ATOM 274 C VAL A 31 -2.511 -12.750 1.474 1.00 0.00 C ATOM 275 O VAL A 31 -3.116 -11.768 1.917 1.00 0.00 O ATOM 276 CB VAL A 31 -3.910 -14.950 1.251 1.00 0.00 C ATOM 277 CG1 VAL A 31 -5.421 -15.010 1.025 1.00 0.00 C ATOM 278 CG2 VAL A 31 -3.231 -16.251 0.817 1.00 0.00 C ATOM 0 H VAL A 31 -3.707 -14.405 -1.342 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.219 -13.025 0.460 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.684 -14.869 2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.825 -15.904 1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.889 -14.126 1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.628 -15.043 -0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.683 -17.091 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.357 -16.386 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.168 -16.204 1.055 1.00 0.00 H new ATOM 288 N PRO A 32 -1.188 -12.913 1.678 1.00 0.00 N ATOM 289 CA PRO A 32 -0.360 -11.864 2.312 1.00 0.00 C ATOM 290 C PRO A 32 -0.341 -10.685 1.332 1.00 0.00 C ATOM 291 O PRO A 32 0.247 -10.743 0.257 1.00 0.00 O ATOM 292 CB PRO A 32 1.040 -12.448 2.489 1.00 0.00 C ATOM 293 CG PRO A 32 0.819 -13.957 2.381 1.00 0.00 C ATOM 294 CD PRO A 32 -0.351 -14.105 1.410 1.00 0.00 C ATOM 0 HA PRO A 32 -0.736 -11.536 3.281 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.724 -12.087 1.721 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.469 -12.174 3.453 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.710 -14.463 2.009 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.586 -14.394 3.352 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.011 -14.130 0.375 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.902 -15.029 1.586 1.00 0.00 H new ATOM 302 N VAL A 33 -1.136 -9.671 1.651 1.00 0.00 N ATOM 303 CA VAL A 33 -1.385 -8.564 0.701 1.00 0.00 C ATOM 304 C VAL A 33 -0.898 -7.213 1.231 1.00 0.00 C ATOM 305 O VAL A 33 -1.211 -6.798 2.354 1.00 0.00 O ATOM 306 CB VAL A 33 -2.882 -8.561 0.306 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.288 -7.373 -0.563 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.250 -9.821 -0.479 1.00 0.00 C ATOM 0 H VAL A 33 -1.619 -9.581 2.545 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.795 -8.732 -0.200 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.411 -8.506 1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.350 -7.441 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.094 -6.445 -0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.710 -7.384 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.307 -9.790 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.651 -9.871 -1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.054 -10.701 0.133 1.00 0.00 H new ATOM 318 N MET A 34 -0.382 -6.467 0.267 1.00 0.00 N ATOM 319 CA MET A 34 0.164 -5.120 0.456 1.00 0.00 C ATOM 320 C MET A 34 -0.651 -4.083 -0.318 1.00 0.00 C ATOM 321 O MET A 34 -0.860 -4.149 -1.529 1.00 0.00 O ATOM 322 CB MET A 34 1.598 -5.103 -0.058 1.00 0.00 C ATOM 323 CG MET A 34 2.280 -3.796 0.330 1.00 0.00 C ATOM 324 SD MET A 34 4.089 -3.974 0.512 1.00 0.00 S ATOM 325 CE MET A 34 4.112 -5.220 1.783 1.00 0.00 C ATOM 0 H MET A 34 -0.327 -6.786 -0.700 1.00 0.00 H new ATOM 0 HA MET A 34 0.125 -4.870 1.516 1.00 0.00 H new ATOM 0 HB2 MET A 34 2.150 -5.947 0.355 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.605 -5.218 -1.142 1.00 0.00 H new ATOM 0 HG2 MET A 34 2.067 -3.041 -0.427 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.858 -3.435 1.268 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.749 -4.891 2.604 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.099 -5.382 2.152 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.502 -6.151 1.372 1.00 0.00 H new ATOM 335 N VAL A 35 -0.936 -3.014 0.421 1.00 0.00 N ATOM 336 CA VAL A 35 -1.644 -1.857 -0.136 1.00 0.00 C ATOM 337 C VAL A 35 -1.108 -0.516 0.384 1.00 0.00 C ATOM 338 O VAL A 35 -0.952 -0.321 1.590 1.00 0.00 O ATOM 339 CB VAL A 35 -3.157 -2.029 0.054 1.00 0.00 C ATOM 340 CG1 VAL A 35 -3.578 -1.961 1.523 1.00 0.00 C ATOM 341 CG2 VAL A 35 -3.908 -0.973 -0.755 1.00 0.00 C ATOM 0 H VAL A 35 -0.689 -2.922 1.406 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.448 -1.822 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.414 -3.025 -0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.658 -2.089 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.079 -2.753 2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.297 -0.993 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.981 -1.102 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.615 0.021 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.665 -1.083 -1.812 1.00 0.00 H new ATOM 351 N ASP A 36 -0.925 0.397 -0.558 1.00 0.00 N ATOM 352 CA ASP A 36 -0.483 1.768 -0.234 1.00 0.00 C ATOM 353 C ASP A 36 -1.561 2.825 -0.471 1.00 0.00 C ATOM 354 O ASP A 36 -2.102 2.951 -1.559 1.00 0.00 O ATOM 355 CB ASP A 36 0.812 2.155 -0.960 1.00 0.00 C ATOM 356 CG ASP A 36 0.730 2.228 -2.482 1.00 0.00 C ATOM 357 OD1 ASP A 36 0.876 1.152 -3.109 1.00 0.00 O ATOM 358 OD2 ASP A 36 0.626 3.366 -2.993 1.00 0.00 O ATOM 0 H ASP A 36 -1.072 0.226 -1.553 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.280 1.749 0.837 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.138 3.126 -0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.585 1.434 -0.692 1.00 0.00 H new ATOM 364 N PHE A 37 -1.823 3.559 0.606 1.00 0.00 N ATOM 365 CA PHE A 37 -2.760 4.697 0.601 1.00 0.00 C ATOM 366 C PHE A 37 -1.983 6.012 0.670 1.00 0.00 C ATOM 367 O PHE A 37 -1.174 6.232 1.582 1.00 0.00 O ATOM 368 CB PHE A 37 -3.696 4.727 1.814 1.00 0.00 C ATOM 369 CG PHE A 37 -4.752 3.624 1.877 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.364 2.273 1.989 1.00 0.00 C ATOM 371 CD2 PHE A 37 -6.109 4.006 1.853 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.361 1.271 2.044 1.00 0.00 C ATOM 373 CE2 PHE A 37 -7.101 3.005 1.928 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.724 1.641 1.992 1.00 0.00 C ATOM 0 H PHE A 37 -1.394 3.387 1.515 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.341 4.580 -0.314 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.088 4.672 2.717 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.205 5.691 1.830 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.318 2.006 2.032 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.385 5.048 1.778 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.083 0.231 2.125 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -8.146 3.278 1.937 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.486 0.876 2.001 1.00 0.00 H new ATOM 384 N TRP A 38 -2.331 6.878 -0.267 1.00 0.00 N ATOM 385 CA TRP A 38 -1.793 8.242 -0.354 1.00 0.00 C ATOM 386 C TRP A 38 -2.954 9.229 -0.549 1.00 0.00 C ATOM 387 O TRP A 38 -4.008 8.862 -1.084 1.00 0.00 O ATOM 388 CB TRP A 38 -0.783 8.326 -1.506 1.00 0.00 C ATOM 389 CG TRP A 38 -1.428 8.228 -2.889 1.00 0.00 C ATOM 390 CD1 TRP A 38 -1.992 7.137 -3.393 1.00 0.00 C ATOM 391 CD2 TRP A 38 -1.845 9.300 -3.668 1.00 0.00 C ATOM 392 NE1 TRP A 38 -2.733 7.442 -4.456 1.00 0.00 N ATOM 393 CE2 TRP A 38 -2.715 8.756 -4.633 1.00 0.00 C ATOM 394 CE3 TRP A 38 -1.650 10.697 -3.590 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -3.456 9.590 -5.495 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -2.361 11.521 -4.458 1.00 0.00 C ATOM 397 CH2 TRP A 38 -3.268 10.988 -5.405 1.00 0.00 C ATOM 0 H TRP A 38 -3.003 6.659 -1.002 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.271 8.502 0.567 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.238 9.267 -1.433 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.052 7.525 -1.397 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.867 6.140 -2.996 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.234 6.773 -5.040 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.963 11.118 -2.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.151 9.171 -6.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.217 12.590 -4.408 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.817 11.650 -6.059 1.00 0.00 H new ATOM 408 N ALA A 39 -2.636 10.502 -0.379 1.00 0.00 N ATOM 409 CA ALA A 39 -3.664 11.570 -0.382 1.00 0.00 C ATOM 410 C ALA A 39 -3.235 12.748 -1.265 1.00 0.00 C ATOM 411 O ALA A 39 -2.080 13.179 -1.164 1.00 0.00 O ATOM 412 CB ALA A 39 -3.924 12.048 1.034 1.00 0.00 C ATOM 0 H ALA A 39 -1.683 10.836 -0.237 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.583 11.154 -0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.681 12.832 1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.277 11.214 1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.001 12.442 1.460 1.00 0.00 H new ATOM 418 N PRO A 40 -4.136 13.240 -2.118 1.00 0.00 N ATOM 419 CA PRO A 40 -3.853 14.408 -2.970 1.00 0.00 C ATOM 420 C PRO A 40 -3.559 15.669 -2.149 1.00 0.00 C ATOM 421 O PRO A 40 -2.553 16.322 -2.405 1.00 0.00 O ATOM 422 CB PRO A 40 -5.056 14.582 -3.897 1.00 0.00 C ATOM 423 CG PRO A 40 -6.105 13.546 -3.470 1.00 0.00 C ATOM 424 CD PRO A 40 -5.418 12.607 -2.479 1.00 0.00 C ATOM 0 HA PRO A 40 -2.947 14.243 -3.554 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.458 15.592 -3.821 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.766 14.432 -4.937 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.964 14.033 -3.009 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.476 12.993 -4.333 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.038 12.456 -1.595 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.254 11.626 -2.925 1.00 0.00 H new ATOM 557 N ALA A 49 4.596 4.619 -3.248 1.00 0.00 N ATOM 558 CA ALA A 49 4.510 3.804 -4.472 1.00 0.00 C ATOM 559 C ALA A 49 5.786 3.071 -4.927 1.00 0.00 C ATOM 560 O ALA A 49 5.743 1.846 -5.005 1.00 0.00 O ATOM 561 CB ALA A 49 3.786 4.577 -5.591 1.00 0.00 C ATOM 0 HA ALA A 49 3.895 2.949 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.733 3.957 -6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.777 4.830 -5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.335 5.492 -5.815 1.00 0.00 H new ATOM 567 N PRO A 50 6.947 3.733 -5.033 1.00 0.00 N ATOM 568 CA PRO A 50 8.251 3.115 -5.356 1.00 0.00 C ATOM 569 C PRO A 50 8.701 2.117 -4.280 1.00 0.00 C ATOM 570 O PRO A 50 9.145 1.017 -4.612 1.00 0.00 O ATOM 571 CB PRO A 50 9.255 4.247 -5.419 1.00 0.00 C ATOM 572 CG PRO A 50 8.425 5.496 -5.687 1.00 0.00 C ATOM 573 CD PRO A 50 7.078 5.197 -5.016 1.00 0.00 C ATOM 0 HA PRO A 50 8.172 2.565 -6.294 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.810 4.335 -4.485 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.987 4.082 -6.210 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.893 6.385 -5.264 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.308 5.676 -6.756 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.054 5.581 -3.996 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.257 5.671 -5.555 1.00 0.00 H new ATOM 581 N VAL A 51 8.512 2.480 -3.008 1.00 0.00 N ATOM 582 CA VAL A 51 8.805 1.593 -1.852 1.00 0.00 C ATOM 583 C VAL A 51 8.016 0.275 -1.980 1.00 0.00 C ATOM 584 O VAL A 51 8.593 -0.808 -1.983 1.00 0.00 O ATOM 585 CB VAL A 51 8.530 2.366 -0.549 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.618 1.480 0.701 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.490 3.557 -0.390 1.00 0.00 C ATOM 0 H VAL A 51 8.152 3.395 -2.739 1.00 0.00 H new ATOM 0 HA VAL A 51 9.856 1.304 -1.835 1.00 0.00 H new ATOM 0 HB VAL A 51 7.506 2.729 -0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.415 2.081 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.884 0.677 0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.618 1.052 0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.269 4.081 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.518 3.195 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.365 4.240 -1.230 1.00 0.00 H new ATOM 597 N ILE A 52 6.720 0.406 -2.251 1.00 0.00 N ATOM 598 CA ILE A 52 5.830 -0.748 -2.508 1.00 0.00 C ATOM 599 C ILE A 52 6.225 -1.576 -3.732 1.00 0.00 C ATOM 600 O ILE A 52 6.295 -2.794 -3.671 1.00 0.00 O ATOM 601 CB ILE A 52 4.379 -0.198 -2.539 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.938 0.414 -1.203 1.00 0.00 C ATOM 603 CG2 ILE A 52 3.333 -1.195 -3.047 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.370 -0.378 0.030 1.00 0.00 C ATOM 0 H ILE A 52 6.248 1.309 -2.301 1.00 0.00 H new ATOM 0 HA ILE A 52 5.923 -1.482 -1.708 1.00 0.00 H new ATOM 0 HB ILE A 52 4.426 0.603 -3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.341 1.424 -1.130 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.852 0.503 -1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.349 -0.727 -3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.580 -1.494 -4.066 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.325 -2.074 -2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.016 0.127 0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.945 -1.381 -0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.458 -0.446 0.056 1.00 0.00 H new ATOM 616 N ASP A 53 6.662 -0.865 -4.780 1.00 0.00 N ATOM 617 CA ASP A 53 7.178 -1.512 -6.008 1.00 0.00 C ATOM 618 C ASP A 53 8.455 -2.336 -5.794 1.00 0.00 C ATOM 619 O ASP A 53 8.732 -3.313 -6.474 1.00 0.00 O ATOM 620 CB ASP A 53 7.378 -0.507 -7.152 1.00 0.00 C ATOM 621 CG ASP A 53 6.053 -0.092 -7.788 1.00 0.00 C ATOM 622 OD1 ASP A 53 5.696 1.092 -7.622 1.00 0.00 O ATOM 623 OD2 ASP A 53 5.420 -0.959 -8.420 1.00 0.00 O ATOM 0 H ASP A 53 6.671 0.155 -4.809 1.00 0.00 H new ATOM 0 HA ASP A 53 6.397 -2.217 -6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.890 0.377 -6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.023 -0.947 -7.913 1.00 0.00 H new ATOM 629 N GLU A 54 9.242 -1.864 -4.838 1.00 0.00 N ATOM 630 CA GLU A 54 10.444 -2.547 -4.348 1.00 0.00 C ATOM 631 C GLU A 54 10.103 -3.766 -3.481 1.00 0.00 C ATOM 632 O GLU A 54 10.599 -4.871 -3.721 1.00 0.00 O ATOM 633 CB GLU A 54 11.293 -1.589 -3.520 1.00 0.00 C ATOM 634 CG GLU A 54 11.948 -0.528 -4.405 1.00 0.00 C ATOM 635 CD GLU A 54 12.625 0.549 -3.566 1.00 0.00 C ATOM 636 OE1 GLU A 54 11.914 1.506 -3.192 1.00 0.00 O ATOM 637 OE2 GLU A 54 13.842 0.405 -3.330 1.00 0.00 O ATOM 0 H GLU A 54 9.064 -0.977 -4.367 1.00 0.00 H new ATOM 0 HA GLU A 54 10.994 -2.887 -5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.671 -1.105 -2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.062 -2.148 -2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.683 -0.999 -5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.195 -0.072 -5.048 1.00 0.00 H new ATOM 645 N LEU A 55 9.193 -3.557 -2.528 1.00 0.00 N ATOM 646 CA LEU A 55 8.628 -4.640 -1.701 1.00 0.00 C ATOM 647 C LEU A 55 8.007 -5.774 -2.519 1.00 0.00 C ATOM 648 O LEU A 55 8.162 -6.938 -2.151 1.00 0.00 O ATOM 649 CB LEU A 55 7.601 -4.060 -0.709 1.00 0.00 C ATOM 650 CG LEU A 55 8.288 -3.252 0.407 1.00 0.00 C ATOM 651 CD1 LEU A 55 7.278 -2.334 1.103 1.00 0.00 C ATOM 652 CD2 LEU A 55 8.977 -4.170 1.407 1.00 0.00 C ATOM 0 H LEU A 55 8.823 -2.634 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 55 9.460 -5.086 -1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.899 -3.420 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.021 -4.871 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 55 9.058 -2.629 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.780 -1.770 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.853 -1.643 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.481 -2.935 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.453 -3.571 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.240 -4.832 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.732 -4.765 0.894 1.00 0.00 H new ATOM 664 N ALA A 56 7.620 -5.442 -3.741 1.00 0.00 N ATOM 665 CA ALA A 56 7.063 -6.383 -4.735 1.00 0.00 C ATOM 666 C ALA A 56 8.075 -7.494 -5.045 1.00 0.00 C ATOM 667 O ALA A 56 7.875 -8.652 -4.662 1.00 0.00 O ATOM 668 CB ALA A 56 6.714 -5.602 -6.007 1.00 0.00 C ATOM 0 H ALA A 56 7.681 -4.486 -4.091 1.00 0.00 H new ATOM 0 HA ALA A 56 6.164 -6.852 -4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.301 -6.284 -6.751 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.978 -4.833 -5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.614 -5.133 -6.404 1.00 0.00 H new ATOM 674 N LYS A 57 9.247 -7.089 -5.530 1.00 0.00 N ATOM 675 CA LYS A 57 10.343 -8.028 -5.825 1.00 0.00 C ATOM 676 C LYS A 57 10.983 -8.636 -4.572 1.00 0.00 C ATOM 677 O LYS A 57 11.125 -9.863 -4.505 1.00 0.00 O ATOM 678 CB LYS A 57 11.357 -7.446 -6.806 1.00 0.00 C ATOM 679 CG LYS A 57 11.870 -6.070 -6.396 1.00 0.00 C ATOM 680 CD LYS A 57 12.796 -5.483 -7.451 1.00 0.00 C ATOM 681 CE LYS A 57 13.229 -4.096 -6.984 1.00 0.00 C ATOM 682 NZ LYS A 57 14.115 -3.507 -7.989 1.00 0.00 N ATOM 0 H LYS A 57 9.469 -6.114 -5.730 1.00 0.00 H new ATOM 0 HA LYS A 57 9.883 -8.874 -6.335 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.201 -8.130 -6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.899 -7.376 -7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.026 -5.399 -6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.400 -6.146 -5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.665 -6.125 -7.594 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.286 -5.419 -8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.356 -3.461 -6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.742 -4.165 -6.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.414 -2.561 -7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.952 -4.112 -8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.609 -3.429 -8.894 1.00 0.00 H new ATOM 696 N GLU A 58 11.036 -7.839 -3.504 1.00 0.00 N ATOM 697 CA GLU A 58 11.508 -8.275 -2.173 1.00 0.00 C ATOM 698 C GLU A 58 10.751 -9.493 -1.626 1.00 0.00 C ATOM 699 O GLU A 58 11.334 -10.390 -1.024 1.00 0.00 O ATOM 700 CB GLU A 58 11.402 -7.122 -1.169 1.00 0.00 C ATOM 701 CG GLU A 58 12.662 -6.273 -1.141 1.00 0.00 C ATOM 702 CD GLU A 58 12.464 -5.000 -0.328 1.00 0.00 C ATOM 703 OE1 GLU A 58 11.933 -4.031 -0.924 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.805 -5.013 0.880 1.00 0.00 O ATOM 0 H GLU A 58 10.751 -6.860 -3.531 1.00 0.00 H new ATOM 0 HA GLU A 58 12.548 -8.574 -2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.548 -6.495 -1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.214 -7.524 -0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.482 -6.852 -0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.949 -6.013 -2.160 1.00 0.00 H new ATOM 712 N TYR A 59 9.444 -9.460 -1.849 1.00 0.00 N ATOM 713 CA TYR A 59 8.536 -10.557 -1.481 1.00 0.00 C ATOM 714 C TYR A 59 7.778 -11.110 -2.685 1.00 0.00 C ATOM 715 O TYR A 59 6.546 -11.130 -2.757 1.00 0.00 O ATOM 716 CB TYR A 59 7.632 -10.090 -0.346 1.00 0.00 C ATOM 717 CG TYR A 59 8.419 -9.844 0.938 1.00 0.00 C ATOM 718 CD1 TYR A 59 9.139 -10.931 1.509 1.00 0.00 C ATOM 719 CD2 TYR A 59 8.658 -8.513 1.317 1.00 0.00 C ATOM 720 CE1 TYR A 59 10.171 -10.658 2.412 1.00 0.00 C ATOM 721 CE2 TYR A 59 9.692 -8.240 2.229 1.00 0.00 C ATOM 722 CZ TYR A 59 10.441 -9.319 2.742 1.00 0.00 C ATOM 723 OH TYR A 59 11.558 -9.032 3.472 1.00 0.00 O ATOM 0 H TYR A 59 8.974 -8.671 -2.292 1.00 0.00 H new ATOM 0 HA TYR A 59 9.117 -11.405 -1.119 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.122 -9.173 -0.641 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.862 -10.839 -0.163 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.892 -11.950 1.249 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.057 -7.712 0.914 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.749 -11.460 2.847 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.908 -7.226 2.530 1.00 0.00 H new ATOM 0 HH TYR A 59 12.060 -8.314 3.033 1.00 0.00 H new ATOM 733 N SER A 60 8.590 -11.580 -3.626 1.00 0.00 N ATOM 734 CA SER A 60 8.112 -12.241 -4.865 1.00 0.00 C ATOM 735 C SER A 60 7.406 -13.558 -4.560 1.00 0.00 C ATOM 736 O SER A 60 7.981 -14.455 -3.946 1.00 0.00 O ATOM 737 CB SER A 60 9.251 -12.509 -5.855 1.00 0.00 C ATOM 738 OG SER A 60 9.627 -11.256 -6.413 1.00 0.00 O ATOM 0 H SER A 60 9.606 -11.519 -3.563 1.00 0.00 H new ATOM 0 HA SER A 60 7.406 -11.547 -5.321 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.097 -12.975 -5.351 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.928 -13.197 -6.636 1.00 0.00 H new ATOM 0 HG SER A 60 10.231 -10.792 -5.797 1.00 0.00 H new ATOM 744 N GLY A 61 6.090 -13.483 -4.732 1.00 0.00 N ATOM 745 CA GLY A 61 5.175 -14.604 -4.443 1.00 0.00 C ATOM 746 C GLY A 61 4.450 -14.416 -3.098 1.00 0.00 C ATOM 747 O GLY A 61 3.372 -14.962 -2.892 1.00 0.00 O ATOM 0 H GLY A 61 5.618 -12.646 -5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.440 -14.689 -5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.737 -15.538 -4.426 1.00 0.00 H new ATOM 751 N LYS A 62 5.069 -13.648 -2.201 1.00 0.00 N ATOM 752 CA LYS A 62 4.537 -13.317 -0.863 1.00 0.00 C ATOM 753 C LYS A 62 3.444 -12.231 -0.884 1.00 0.00 C ATOM 754 O LYS A 62 2.276 -12.560 -0.710 1.00 0.00 O ATOM 755 CB LYS A 62 5.629 -12.899 0.132 1.00 0.00 C ATOM 756 CG LYS A 62 6.489 -14.057 0.635 1.00 0.00 C ATOM 757 CD LYS A 62 7.634 -14.363 -0.323 1.00 0.00 C ATOM 758 CE LYS A 62 8.644 -15.346 0.263 1.00 0.00 C ATOM 759 NZ LYS A 62 9.580 -15.690 -0.813 1.00 0.00 N ATOM 0 H LYS A 62 5.979 -13.224 -2.382 1.00 0.00 H new ATOM 0 HA LYS A 62 4.088 -14.251 -0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.275 -12.160 -0.343 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.160 -12.411 0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.892 -13.812 1.618 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.869 -14.945 0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.229 -14.773 -1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.144 -13.435 -0.582 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.172 -14.900 1.106 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.142 -16.238 0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.289 -16.361 -0.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.059 -16.125 -1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.057 -14.828 -1.147 1.00 0.00 H new ATOM 773 N ILE A 63 3.843 -10.986 -1.149 1.00 0.00 N ATOM 774 CA ILE A 63 2.898 -9.863 -1.049 1.00 0.00 C ATOM 775 C ILE A 63 2.398 -9.256 -2.362 1.00 0.00 C ATOM 776 O ILE A 63 3.155 -8.782 -3.212 1.00 0.00 O ATOM 777 CB ILE A 63 3.272 -8.802 -0.001 1.00 0.00 C ATOM 778 CG1 ILE A 63 4.685 -8.228 -0.126 1.00 0.00 C ATOM 779 CG2 ILE A 63 3.068 -9.344 1.419 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.856 -7.224 -1.264 1.00 0.00 C ATOM 0 H ILE A 63 4.790 -10.729 -1.428 1.00 0.00 H new ATOM 0 HA ILE A 63 2.016 -10.373 -0.663 1.00 0.00 H new ATOM 0 HB ILE A 63 2.594 -7.973 -0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.953 -7.744 0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.387 -9.049 -0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.339 -8.576 2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.023 -9.620 1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.697 -10.221 1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.886 -6.866 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.623 -7.707 -2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.182 -6.381 -1.110 1.00 0.00 H new ATOM 792 N ALA A 64 1.087 -9.318 -2.467 1.00 0.00 N ATOM 793 CA ALA A 64 0.324 -8.726 -3.580 1.00 0.00 C ATOM 794 C ALA A 64 0.259 -7.197 -3.380 1.00 0.00 C ATOM 795 O ALA A 64 -0.383 -6.715 -2.455 1.00 0.00 O ATOM 796 CB ALA A 64 -1.041 -9.406 -3.613 1.00 0.00 C ATOM 0 H ALA A 64 0.499 -9.786 -1.777 1.00 0.00 H new ATOM 0 HA ALA A 64 0.795 -8.887 -4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.635 -8.991 -4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.910 -10.477 -3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.555 -9.237 -2.667 1.00 0.00 H new ATOM 802 N VAL A 65 0.830 -6.469 -4.324 1.00 0.00 N ATOM 803 CA VAL A 65 1.123 -5.029 -4.218 1.00 0.00 C ATOM 804 C VAL A 65 0.149 -4.104 -4.973 1.00 0.00 C ATOM 805 O VAL A 65 0.047 -4.108 -6.210 1.00 0.00 O ATOM 806 CB VAL A 65 2.581 -4.756 -4.616 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.463 -4.831 -3.368 1.00 0.00 C ATOM 808 CG2 VAL A 65 3.138 -5.609 -5.751 1.00 0.00 C ATOM 0 H VAL A 65 1.116 -6.866 -5.219 1.00 0.00 H new ATOM 0 HA VAL A 65 0.972 -4.774 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 65 2.591 -3.751 -5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.500 -4.638 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.135 -4.084 -2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.384 -5.824 -2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.173 -5.327 -5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.094 -6.661 -5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.545 -5.449 -6.651 1.00 0.00 H new ATOM 818 N TYR A 66 -0.592 -3.348 -4.173 1.00 0.00 N ATOM 819 CA TYR A 66 -1.643 -2.443 -4.665 1.00 0.00 C ATOM 820 C TYR A 66 -1.515 -0.999 -4.185 1.00 0.00 C ATOM 821 O TYR A 66 -1.024 -0.724 -3.085 1.00 0.00 O ATOM 822 CB TYR A 66 -3.015 -2.974 -4.254 1.00 0.00 C ATOM 823 CG TYR A 66 -3.222 -4.426 -4.675 1.00 0.00 C ATOM 824 CD1 TYR A 66 -3.320 -4.757 -6.041 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.129 -5.423 -3.686 1.00 0.00 C ATOM 826 CE1 TYR A 66 -3.277 -6.105 -6.439 1.00 0.00 C ATOM 827 CE2 TYR A 66 -3.103 -6.771 -4.070 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.162 -7.101 -5.445 1.00 0.00 C ATOM 829 OH TYR A 66 -3.194 -8.409 -5.808 1.00 0.00 O ATOM 0 H TYR A 66 -0.487 -3.340 -3.159 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.525 -2.423 -5.748 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.125 -2.892 -3.173 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.792 -2.354 -4.702 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.428 -3.977 -6.781 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.078 -5.152 -2.642 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.331 -6.373 -7.484 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.039 -7.550 -3.324 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.373 -8.634 -6.293 1.00 0.00 H new ATOM 839 N LYS A 67 -2.117 -0.100 -4.968 1.00 0.00 N ATOM 840 CA LYS A 67 -2.168 1.335 -4.655 1.00 0.00 C ATOM 841 C LYS A 67 -3.586 1.883 -4.723 1.00 0.00 C ATOM 842 O LYS A 67 -4.379 1.554 -5.613 1.00 0.00 O ATOM 843 CB LYS A 67 -1.218 2.244 -5.453 1.00 0.00 C ATOM 844 CG LYS A 67 -0.755 1.740 -6.830 1.00 0.00 C ATOM 845 CD LYS A 67 0.438 0.780 -6.724 1.00 0.00 C ATOM 846 CE LYS A 67 1.732 1.512 -6.401 1.00 0.00 C ATOM 847 NZ LYS A 67 2.767 0.516 -6.127 1.00 0.00 N ATOM 0 H LYS A 67 -2.585 -0.345 -5.840 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.799 1.368 -3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.710 3.206 -5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.332 2.425 -4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.583 1.235 -7.327 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.480 2.591 -7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.239 0.038 -5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.552 0.239 -7.663 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.028 2.147 -7.236 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.594 2.164 -5.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.971 0.498 -5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.435 -0.422 -6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.632 0.762 -6.648 1.00 0.00 H new ATOM 861 N LEU A 68 -3.909 2.508 -3.597 1.00 0.00 N ATOM 862 CA LEU A 68 -5.196 3.163 -3.341 1.00 0.00 C ATOM 863 C LEU A 68 -5.058 4.689 -3.287 1.00 0.00 C ATOM 864 O LEU A 68 -4.359 5.265 -2.450 1.00 0.00 O ATOM 865 CB LEU A 68 -5.692 2.614 -1.991 1.00 0.00 C ATOM 866 CG LEU A 68 -7.212 2.520 -1.834 1.00 0.00 C ATOM 867 CD1 LEU A 68 -7.905 3.862 -1.604 1.00 0.00 C ATOM 868 CD2 LEU A 68 -7.867 1.771 -2.990 1.00 0.00 C ATOM 0 H LEU A 68 -3.265 2.578 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.900 2.953 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.267 1.621 -1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.301 3.248 -1.195 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.353 1.943 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.979 3.704 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.519 4.320 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.713 4.521 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.945 1.731 -2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.656 2.289 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.469 0.757 -3.039 1.00 0.00 H new ATOM 880 N ASN A 69 -5.875 5.322 -4.124 1.00 0.00 N ATOM 881 CA ASN A 69 -6.066 6.781 -4.130 1.00 0.00 C ATOM 882 C ASN A 69 -7.124 7.003 -3.053 1.00 0.00 C ATOM 883 O ASN A 69 -8.313 6.769 -3.257 1.00 0.00 O ATOM 884 CB ASN A 69 -6.512 7.225 -5.529 1.00 0.00 C ATOM 885 CG ASN A 69 -5.589 6.788 -6.669 1.00 0.00 C ATOM 886 OD1 ASN A 69 -4.419 6.460 -6.516 1.00 0.00 O ATOM 887 ND2 ASN A 69 -6.121 6.719 -7.862 1.00 0.00 N ATOM 0 H ASN A 69 -6.432 4.837 -4.827 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.170 7.365 -3.918 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.510 6.831 -5.718 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.591 8.312 -5.541 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.562 6.395 -8.652 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.094 6.989 -8.003 1.00 0.00 H new ATOM 894 N THR A 70 -6.629 7.263 -1.840 1.00 0.00 N ATOM 895 CA THR A 70 -7.495 7.313 -0.632 1.00 0.00 C ATOM 896 C THR A 70 -8.789 8.120 -0.781 1.00 0.00 C ATOM 897 O THR A 70 -9.884 7.581 -0.654 1.00 0.00 O ATOM 898 CB THR A 70 -6.762 7.729 0.645 1.00 0.00 C ATOM 899 OG1 THR A 70 -7.641 7.454 1.737 1.00 0.00 O ATOM 900 CG2 THR A 70 -6.353 9.191 0.766 1.00 0.00 C ATOM 0 H THR A 70 -5.642 7.443 -1.656 1.00 0.00 H new ATOM 0 HA THR A 70 -7.791 6.269 -0.530 1.00 0.00 H new ATOM 0 HB THR A 70 -5.827 7.168 0.635 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.206 7.706 2.578 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.844 9.349 1.717 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.682 9.450 -0.053 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.241 9.822 0.721 1.00 0.00 H new ATOM 908 N ASP A 71 -8.600 9.289 -1.356 1.00 0.00 N ATOM 909 CA ASP A 71 -9.693 10.244 -1.616 1.00 0.00 C ATOM 910 C ASP A 71 -10.654 9.784 -2.720 1.00 0.00 C ATOM 911 O ASP A 71 -11.795 10.226 -2.782 1.00 0.00 O ATOM 912 CB ASP A 71 -9.165 11.641 -1.896 1.00 0.00 C ATOM 913 CG ASP A 71 -8.625 12.254 -0.607 1.00 0.00 C ATOM 914 OD1 ASP A 71 -7.459 11.954 -0.281 1.00 0.00 O ATOM 915 OD2 ASP A 71 -9.383 13.032 0.021 1.00 0.00 O ATOM 0 H ASP A 71 -7.685 9.619 -1.663 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.277 10.279 -0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.377 11.599 -2.648 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.960 12.266 -2.302 1.00 0.00 H new ATOM 921 N GLU A 72 -10.149 8.902 -3.576 1.00 0.00 N ATOM 922 CA GLU A 72 -10.965 8.276 -4.621 1.00 0.00 C ATOM 923 C GLU A 72 -11.868 7.168 -4.038 1.00 0.00 C ATOM 924 O GLU A 72 -12.951 6.900 -4.561 1.00 0.00 O ATOM 925 CB GLU A 72 -10.023 7.780 -5.722 1.00 0.00 C ATOM 926 CG GLU A 72 -10.824 7.475 -6.979 1.00 0.00 C ATOM 927 CD GLU A 72 -10.015 7.370 -8.264 1.00 0.00 C ATOM 928 OE1 GLU A 72 -8.884 6.846 -8.247 1.00 0.00 O ATOM 929 OE2 GLU A 72 -10.595 7.789 -9.285 1.00 0.00 O ATOM 0 H GLU A 72 -9.175 8.601 -3.570 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.655 8.998 -5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.266 8.535 -5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.496 6.886 -5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.358 6.537 -6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.576 8.253 -7.107 1.00 0.00 H new ATOM 937 N ALA A 73 -11.393 6.509 -2.983 1.00 0.00 N ATOM 938 CA ALA A 73 -12.205 5.550 -2.212 1.00 0.00 C ATOM 939 C ALA A 73 -12.197 5.836 -0.691 1.00 0.00 C ATOM 940 O ALA A 73 -11.605 5.088 0.097 1.00 0.00 O ATOM 941 CB ALA A 73 -11.788 4.121 -2.533 1.00 0.00 C ATOM 0 H ALA A 73 -10.441 6.619 -2.634 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.242 5.679 -2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.397 3.426 -1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.930 3.931 -3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.738 3.982 -2.277 1.00 0.00 H new ATOM 947 N PRO A 74 -12.986 6.846 -0.251 1.00 0.00 N ATOM 948 CA PRO A 74 -13.130 7.186 1.177 1.00 0.00 C ATOM 949 C PRO A 74 -13.664 6.013 2.001 1.00 0.00 C ATOM 950 O PRO A 74 -13.077 5.674 3.017 1.00 0.00 O ATOM 951 CB PRO A 74 -14.118 8.356 1.223 1.00 0.00 C ATOM 952 CG PRO A 74 -13.932 9.010 -0.137 1.00 0.00 C ATOM 953 CD PRO A 74 -13.720 7.821 -1.080 1.00 0.00 C ATOM 0 HA PRO A 74 -12.161 7.438 1.609 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.143 8.014 1.370 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.891 9.045 2.037 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.804 9.598 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.076 9.685 -0.144 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.668 7.414 -1.432 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -13.149 8.107 -1.963 1.00 0.00 H new ATOM 961 N GLY A 75 -14.597 5.274 1.406 1.00 0.00 N ATOM 962 CA GLY A 75 -15.260 4.068 1.963 1.00 0.00 C ATOM 963 C GLY A 75 -14.278 2.956 2.325 1.00 0.00 C ATOM 964 O GLY A 75 -14.382 2.370 3.398 1.00 0.00 O ATOM 0 H GLY A 75 -14.938 5.501 0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.824 4.349 2.852 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.978 3.688 1.237 1.00 0.00 H new ATOM 968 N ILE A 76 -13.273 2.742 1.474 1.00 0.00 N ATOM 969 CA ILE A 76 -12.184 1.798 1.765 1.00 0.00 C ATOM 970 C ILE A 76 -11.382 2.272 2.984 1.00 0.00 C ATOM 971 O ILE A 76 -11.353 1.606 4.011 1.00 0.00 O ATOM 972 CB ILE A 76 -11.333 1.594 0.486 1.00 0.00 C ATOM 973 CG1 ILE A 76 -12.106 0.846 -0.604 1.00 0.00 C ATOM 974 CG2 ILE A 76 -9.993 0.923 0.761 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.650 -0.525 -0.209 1.00 0.00 C ATOM 0 H ILE A 76 -13.188 3.211 0.572 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.579 0.820 2.038 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.114 2.596 0.117 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.941 1.469 -0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.452 0.722 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.445 0.809 -0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.413 1.538 1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.162 -0.058 1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.179 -0.964 -1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.824 -1.175 0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.336 -0.416 0.631 1.00 0.00 H new ATOM 987 N ALA A 77 -10.905 3.506 2.896 1.00 0.00 N ATOM 988 CA ALA A 77 -10.162 4.154 3.986 1.00 0.00 C ATOM 989 C ALA A 77 -10.926 4.121 5.330 1.00 0.00 C ATOM 990 O ALA A 77 -10.399 3.570 6.296 1.00 0.00 O ATOM 991 CB ALA A 77 -9.794 5.561 3.536 1.00 0.00 C ATOM 0 H ALA A 77 -11.018 4.093 2.069 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.248 3.597 4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.241 6.064 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.175 5.506 2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.702 6.122 3.316 1.00 0.00 H new ATOM 997 N THR A 78 -12.239 4.362 5.273 1.00 0.00 N ATOM 998 CA THR A 78 -13.166 4.249 6.429 1.00 0.00 C ATOM 999 C THR A 78 -13.096 2.834 7.012 1.00 0.00 C ATOM 1000 O THR A 78 -12.831 2.628 8.193 1.00 0.00 O ATOM 1001 CB THR A 78 -14.601 4.409 5.942 1.00 0.00 C ATOM 1002 OG1 THR A 78 -14.788 5.615 5.189 1.00 0.00 O ATOM 1003 CG2 THR A 78 -15.665 4.342 7.033 1.00 0.00 C ATOM 0 H THR A 78 -12.707 4.647 4.412 1.00 0.00 H new ATOM 0 HA THR A 78 -12.888 5.007 7.161 1.00 0.00 H new ATOM 0 HB THR A 78 -14.744 3.539 5.301 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.257 5.573 4.366 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.652 4.466 6.587 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.612 3.375 7.534 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.492 5.137 7.759 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.375 1.871 6.123 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.510 0.440 6.422 1.00 0.00 C ATOM 1013 C GLN A 79 -12.245 -0.176 7.060 1.00 0.00 C ATOM 1014 O GLN A 79 -12.334 -1.135 7.819 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.891 -0.252 5.113 1.00 0.00 C ATOM 1016 CG GLN A 79 -14.153 -1.753 5.197 1.00 0.00 C ATOM 1017 CD GLN A 79 -14.573 -2.338 3.851 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -13.858 -2.312 2.846 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -15.688 -3.034 3.835 1.00 0.00 N ATOM 0 H GLN A 79 -13.519 2.077 5.134 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.283 0.296 7.177 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.785 0.230 4.718 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -13.092 -0.083 4.391 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -13.253 -2.259 5.547 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -14.933 -1.944 5.934 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.285 -3.061 4.662 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -15.957 -3.548 2.996 1.00 0.00 H new ATOM 1028 N TYR A 80 -11.092 0.438 6.774 1.00 0.00 N ATOM 1029 CA TYR A 80 -9.792 0.019 7.343 1.00 0.00 C ATOM 1030 C TYR A 80 -9.257 0.916 8.467 1.00 0.00 C ATOM 1031 O TYR A 80 -8.124 0.741 8.928 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.757 -0.096 6.205 1.00 0.00 C ATOM 1033 CG TYR A 80 -9.136 -1.204 5.231 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.304 -2.505 5.757 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.764 -0.824 4.028 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -10.202 -3.405 5.132 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.672 -1.704 3.403 1.00 0.00 C ATOM 1038 CZ TYR A 80 -10.881 -2.974 3.978 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.761 -3.832 3.387 1.00 0.00 O ATOM 0 H TYR A 80 -11.026 1.238 6.144 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.964 -0.947 7.818 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.689 0.853 5.673 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.771 -0.297 6.624 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.750 -2.812 6.632 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.551 0.138 3.586 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.361 -4.396 5.531 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.195 -1.412 2.505 1.00 0.00 H new ATOM 0 HH TYR A 80 -12.429 -3.321 2.885 1.00 0.00 H new ATOM 1049 N ASN A 81 -10.104 1.845 8.923 1.00 0.00 N ATOM 1050 CA ASN A 81 -9.767 2.864 9.940 1.00 0.00 C ATOM 1051 C ASN A 81 -8.557 3.736 9.589 1.00 0.00 C ATOM 1052 O ASN A 81 -7.855 4.293 10.437 1.00 0.00 O ATOM 1053 CB ASN A 81 -9.674 2.266 11.361 1.00 0.00 C ATOM 1054 CG ASN A 81 -11.050 2.228 12.047 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -11.249 2.654 13.176 1.00 0.00 O ATOM 1056 ND2 ASN A 81 -12.079 1.921 11.299 1.00 0.00 N ATOM 0 H ASN A 81 -11.066 1.916 8.592 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.612 3.553 9.936 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.265 1.257 11.306 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.983 2.858 11.961 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -13.025 2.039 11.661 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.935 1.564 10.354 1.00 0.00 H new ATOM 1063 N ILE A 82 -8.438 3.982 8.293 1.00 0.00 N ATOM 1064 CA ILE A 82 -7.389 4.844 7.762 1.00 0.00 C ATOM 1065 C ILE A 82 -7.964 6.200 7.352 1.00 0.00 C ATOM 1066 O ILE A 82 -8.825 6.312 6.487 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.441 4.114 6.783 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -5.461 5.015 6.029 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -7.040 3.074 5.833 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -5.987 6.089 5.079 1.00 0.00 C ATOM 0 H ILE A 82 -9.060 3.594 7.583 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.682 5.103 8.550 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.885 3.531 7.517 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.842 5.516 6.774 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.802 4.366 5.452 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.251 2.652 5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.510 2.279 6.413 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.787 3.549 5.197 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.148 6.626 4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.574 5.620 4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.615 6.788 5.632 1.00 0.00 H new ATOM 1082 N ARG A 83 -7.695 7.105 8.286 1.00 0.00 N ATOM 1083 CA ARG A 83 -7.958 8.549 8.184 1.00 0.00 C ATOM 1084 C ARG A 83 -6.692 9.423 8.333 1.00 0.00 C ATOM 1085 O ARG A 83 -6.760 10.645 8.373 1.00 0.00 O ATOM 1086 CB ARG A 83 -8.935 8.925 9.309 1.00 0.00 C ATOM 1087 CG ARG A 83 -10.309 8.260 9.184 1.00 0.00 C ATOM 1088 CD ARG A 83 -11.157 8.871 8.058 1.00 0.00 C ATOM 1089 NE ARG A 83 -10.766 8.348 6.728 1.00 0.00 N ATOM 1090 CZ ARG A 83 -11.311 8.732 5.579 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -12.338 9.569 5.576 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -10.868 8.248 4.441 1.00 0.00 N ATOM 0 H ARG A 83 -7.269 6.849 9.177 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.359 8.739 7.189 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.494 8.649 10.267 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.065 10.007 9.318 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.178 7.194 8.998 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.843 8.356 10.129 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.210 8.655 8.238 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.048 9.955 8.068 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.028 7.645 6.692 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.712 9.920 6.457 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.754 9.862 4.692 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.102 7.574 4.437 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.290 8.546 3.561 1.00 0.00 H new ATOM 1106 N SER A 84 -5.551 8.750 8.395 1.00 0.00 N ATOM 1107 CA SER A 84 -4.241 9.369 8.649 1.00 0.00 C ATOM 1108 C SER A 84 -3.426 9.757 7.401 1.00 0.00 C ATOM 1109 O SER A 84 -3.321 10.958 7.149 1.00 0.00 O ATOM 1110 CB SER A 84 -3.425 8.449 9.570 1.00 0.00 C ATOM 1111 OG SER A 84 -3.475 7.123 9.028 1.00 0.00 O ATOM 0 H SER A 84 -5.501 7.739 8.269 1.00 0.00 H new ATOM 0 HA SER A 84 -4.452 10.326 9.127 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.393 8.795 9.637 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.832 8.463 10.581 1.00 0.00 H new ATOM 0 HG SER A 84 -4.018 6.552 9.611 1.00 0.00 H new ATOM 1117 N ILE A 85 -2.954 8.769 6.629 1.00 0.00 N ATOM 1118 CA ILE A 85 -2.087 8.949 5.431 1.00 0.00 C ATOM 1119 C ILE A 85 -0.658 9.425 5.808 1.00 0.00 C ATOM 1120 O ILE A 85 -0.523 10.427 6.501 1.00 0.00 O ATOM 1121 CB ILE A 85 -2.765 9.876 4.387 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -4.081 9.275 3.868 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -1.860 10.318 3.230 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -3.900 7.926 3.164 1.00 0.00 C ATOM 0 H ILE A 85 -3.165 7.789 6.817 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.964 7.972 4.964 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.988 10.791 4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.769 9.150 4.704 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.544 9.978 3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.422 10.962 2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.005 10.866 3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.509 9.440 2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.869 7.560 2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.237 8.049 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.465 7.208 3.859 1.00 0.00 H new ATOM 1136 N PRO A 86 0.380 8.774 5.247 1.00 0.00 N ATOM 1137 CA PRO A 86 0.316 7.593 4.353 1.00 0.00 C ATOM 1138 C PRO A 86 0.232 6.316 5.177 1.00 0.00 C ATOM 1139 O PRO A 86 0.982 6.127 6.141 1.00 0.00 O ATOM 1140 CB PRO A 86 1.612 7.605 3.531 1.00 0.00 C ATOM 1141 CG PRO A 86 2.401 8.826 3.991 1.00 0.00 C ATOM 1142 CD PRO A 86 1.773 9.276 5.314 1.00 0.00 C ATOM 0 HA PRO A 86 -0.563 7.630 3.710 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.183 6.690 3.692 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.395 7.662 2.464 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.454 8.579 4.126 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.352 9.622 3.248 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.305 8.859 6.169 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.800 10.361 5.419 1.00 0.00 H new ATOM 1150 N THR A 87 -0.641 5.416 4.761 1.00 0.00 N ATOM 1151 CA THR A 87 -0.850 4.142 5.479 1.00 0.00 C ATOM 1152 C THR A 87 -0.726 2.971 4.513 1.00 0.00 C ATOM 1153 O THR A 87 -1.206 3.016 3.375 1.00 0.00 O ATOM 1154 CB THR A 87 -2.197 4.116 6.209 1.00 0.00 C ATOM 1155 OG1 THR A 87 -2.237 5.283 7.045 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.445 2.847 7.028 1.00 0.00 C ATOM 0 H THR A 87 -1.223 5.531 3.931 1.00 0.00 H new ATOM 0 HA THR A 87 -0.075 4.051 6.240 1.00 0.00 H new ATOM 0 HB THR A 87 -2.995 4.115 5.467 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.370 5.399 7.486 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.420 2.911 7.512 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.423 1.979 6.369 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.669 2.746 7.787 1.00 0.00 H new ATOM 1164 N VAL A 88 0.099 2.040 4.952 1.00 0.00 N ATOM 1165 CA VAL A 88 0.328 0.771 4.234 1.00 0.00 C ATOM 1166 C VAL A 88 -0.097 -0.397 5.137 1.00 0.00 C ATOM 1167 O VAL A 88 0.461 -0.614 6.205 1.00 0.00 O ATOM 1168 CB VAL A 88 1.778 0.649 3.744 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.059 -0.679 3.028 1.00 0.00 C ATOM 1170 CG2 VAL A 88 2.100 1.771 2.743 1.00 0.00 C ATOM 0 H VAL A 88 0.636 2.128 5.815 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.284 0.747 3.332 1.00 0.00 H new ATOM 0 HB VAL A 88 2.397 0.712 4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.100 -0.705 2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.870 -1.508 3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.407 -0.769 2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.131 1.672 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.429 1.699 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.969 2.739 3.227 1.00 0.00 H new ATOM 1180 N LEU A 89 -1.119 -1.092 4.651 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.710 -2.251 5.354 1.00 0.00 C ATOM 1182 C LEU A 89 -1.246 -3.591 4.773 1.00 0.00 C ATOM 1183 O LEU A 89 -0.938 -3.708 3.586 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.246 -2.232 5.345 1.00 0.00 C ATOM 1185 CG LEU A 89 -3.862 -1.065 6.120 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -4.135 0.122 5.202 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.195 -1.528 6.714 1.00 0.00 C ATOM 0 H LEU A 89 -1.569 -0.878 3.761 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.355 -2.158 6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.592 -2.191 4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.613 -3.168 5.767 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.164 -0.756 6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.572 0.936 5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.200 0.457 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.828 -0.178 4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.649 -0.708 7.271 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.864 -1.836 5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.022 -2.370 7.384 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.201 -4.553 5.678 1.00 0.00 N ATOM 1200 CA PHE A 90 -0.789 -5.949 5.429 1.00 0.00 C ATOM 1201 C PHE A 90 -1.886 -6.894 5.923 1.00 0.00 C ATOM 1202 O PHE A 90 -2.193 -7.007 7.110 1.00 0.00 O ATOM 1203 CB PHE A 90 0.515 -6.301 6.158 1.00 0.00 C ATOM 1204 CG PHE A 90 1.600 -5.240 6.040 1.00 0.00 C ATOM 1205 CD1 PHE A 90 2.299 -5.113 4.819 1.00 0.00 C ATOM 1206 CD2 PHE A 90 1.678 -4.245 7.042 1.00 0.00 C ATOM 1207 CE1 PHE A 90 3.075 -3.961 4.600 1.00 0.00 C ATOM 1208 CE2 PHE A 90 2.451 -3.094 6.803 1.00 0.00 C ATOM 1209 CZ PHE A 90 3.140 -2.967 5.584 1.00 0.00 C ATOM 0 H PHE A 90 -1.459 -4.390 6.651 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.626 -6.058 4.357 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.296 -6.465 7.213 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.897 -7.242 5.762 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.239 -5.886 4.068 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.152 -4.367 7.977 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.620 -3.843 3.675 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.515 -2.315 7.549 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.733 -2.083 5.403 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.481 -7.496 4.901 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.614 -8.438 4.993 1.00 0.00 C ATOM 1221 C PHE A 91 -3.161 -9.873 4.788 1.00 0.00 C ATOM 1222 O PHE A 91 -2.084 -10.141 4.272 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.622 -8.140 3.875 1.00 0.00 C ATOM 1224 CG PHE A 91 -5.196 -6.733 3.944 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -4.555 -5.694 3.236 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -6.437 -6.531 4.600 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -5.152 -4.422 3.193 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -7.027 -5.250 4.545 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.383 -4.210 3.847 1.00 0.00 C ATOM 0 H PHE A 91 -2.182 -7.341 3.938 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.052 -8.317 5.984 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.136 -8.280 2.910 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.438 -8.861 3.929 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.616 -5.874 2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.920 -7.339 5.130 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.671 -3.613 2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.971 -5.068 5.037 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.840 -3.232 3.812 1.00 0.00 H new ATOM 1239 N LYS A 92 -3.985 -10.740 5.363 1.00 0.00 N ATOM 1240 CA LYS A 92 -3.872 -12.181 5.098 1.00 0.00 C ATOM 1241 C LYS A 92 -5.139 -12.641 4.337 1.00 0.00 C ATOM 1242 O LYS A 92 -5.420 -12.182 3.229 1.00 0.00 O ATOM 1243 CB LYS A 92 -3.634 -12.891 6.431 1.00 0.00 C ATOM 1244 CG LYS A 92 -3.003 -14.272 6.247 1.00 0.00 C ATOM 1245 CD LYS A 92 -1.540 -14.151 5.824 1.00 0.00 C ATOM 1246 CE LYS A 92 -0.927 -15.537 5.746 1.00 0.00 C ATOM 1247 NZ LYS A 92 0.507 -15.370 5.472 1.00 0.00 N ATOM 0 H LYS A 92 -4.732 -10.482 6.008 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.026 -12.431 4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.985 -12.278 7.056 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.582 -12.994 6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.071 -14.834 7.178 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.558 -14.833 5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.469 -13.654 4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.992 -13.538 6.539 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.079 -16.077 6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.402 -16.123 4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.777 -15.963 4.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.705 -14.373 5.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.056 -15.655 6.308 1.00 0.00 H new ATOM 1261 N ASN A 93 -6.052 -13.242 5.072 1.00 0.00 N ATOM 1262 CA ASN A 93 -7.298 -13.832 4.548 1.00 0.00 C ATOM 1263 C ASN A 93 -8.461 -12.823 4.628 1.00 0.00 C ATOM 1264 O ASN A 93 -9.411 -12.963 5.392 1.00 0.00 O ATOM 1265 CB ASN A 93 -7.542 -15.133 5.336 1.00 0.00 C ATOM 1266 CG ASN A 93 -7.606 -14.918 6.855 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -6.712 -14.398 7.499 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -8.743 -15.229 7.411 1.00 0.00 N ATOM 0 H ASN A 93 -5.958 -13.344 6.083 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.220 -14.074 3.488 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -8.476 -15.584 5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.746 -15.842 5.109 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -8.896 -15.038 8.401 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -9.480 -15.664 6.856 1.00 0.00 H new ATOM 1275 N GLY A 94 -8.260 -11.742 3.870 1.00 0.00 N ATOM 1276 CA GLY A 94 -9.121 -10.542 3.887 1.00 0.00 C ATOM 1277 C GLY A 94 -9.152 -9.882 5.276 1.00 0.00 C ATOM 1278 O GLY A 94 -10.055 -9.128 5.609 1.00 0.00 O ATOM 0 H GLY A 94 -7.483 -11.668 3.214 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.759 -9.824 3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.134 -10.817 3.592 1.00 0.00 H new ATOM 1282 N GLU A 95 -8.005 -9.987 5.946 1.00 0.00 N ATOM 1283 CA GLU A 95 -7.882 -9.714 7.381 1.00 0.00 C ATOM 1284 C GLU A 95 -6.582 -8.934 7.639 1.00 0.00 C ATOM 1285 O GLU A 95 -5.487 -9.469 7.439 1.00 0.00 O ATOM 1286 CB GLU A 95 -7.867 -11.118 7.996 1.00 0.00 C ATOM 1287 CG GLU A 95 -8.117 -11.207 9.497 1.00 0.00 C ATOM 1288 CD GLU A 95 -6.872 -10.954 10.344 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -6.954 -10.028 11.169 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -5.904 -11.747 10.214 1.00 0.00 O ATOM 0 H GLU A 95 -7.128 -10.266 5.507 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.677 -9.100 7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.620 -11.721 7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.899 -11.573 7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.885 -10.484 9.772 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.511 -12.196 9.733 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.746 -7.670 7.995 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.616 -6.762 8.274 1.00 0.00 C ATOM 1300 C ARG A 96 -4.965 -7.015 9.630 1.00 0.00 C ATOM 1301 O ARG A 96 -5.542 -6.856 10.709 1.00 0.00 O ATOM 1302 CB ARG A 96 -5.951 -5.271 8.124 1.00 0.00 C ATOM 1303 CG ARG A 96 -7.226 -4.856 8.860 1.00 0.00 C ATOM 1304 CD ARG A 96 -7.132 -3.413 9.326 1.00 0.00 C ATOM 1305 NE ARG A 96 -6.262 -3.330 10.517 1.00 0.00 N ATOM 1306 CZ ARG A 96 -5.932 -2.216 11.173 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -6.164 -1.009 10.686 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -5.220 -2.299 12.294 1.00 0.00 N ATOM 0 H ARG A 96 -7.661 -7.233 8.102 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.895 -7.008 7.494 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.116 -4.679 8.499 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.059 -5.036 7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.087 -4.975 8.202 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.386 -5.510 9.717 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.732 -2.788 8.527 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.125 -3.032 9.562 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.878 -4.206 10.871 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.612 -0.904 9.775 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.896 -0.183 11.221 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.930 -3.211 12.647 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.965 -1.451 12.800 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.782 -7.567 9.463 1.00 0.00 N ATOM 1323 CA LYS A 97 -2.903 -8.029 10.545 1.00 0.00 C ATOM 1324 C LYS A 97 -2.139 -6.822 11.124 1.00 0.00 C ATOM 1325 O LYS A 97 -2.335 -6.416 12.263 1.00 0.00 O ATOM 1326 CB LYS A 97 -1.915 -9.049 10.031 1.00 0.00 C ATOM 1327 CG LYS A 97 -2.680 -10.152 9.305 1.00 0.00 C ATOM 1328 CD LYS A 97 -1.708 -11.245 8.952 1.00 0.00 C ATOM 1329 CE LYS A 97 -1.406 -12.098 10.196 1.00 0.00 C ATOM 1330 NZ LYS A 97 -1.004 -13.415 9.709 1.00 0.00 N ATOM 0 H LYS A 97 -3.380 -7.717 8.538 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.512 -8.495 11.320 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.202 -8.577 9.355 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.341 -9.469 10.857 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.477 -10.542 9.938 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.152 -9.758 8.405 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.123 -11.872 8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.786 -10.812 8.564 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.613 -11.647 10.793 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.284 -12.173 10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.755 -14.022 10.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.790 -13.845 9.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.180 -13.317 9.083 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.371 -6.190 10.234 1.00 0.00 N ATOM 1345 CA GLU A 98 -0.522 -5.032 10.592 1.00 0.00 C ATOM 1346 C GLU A 98 -0.793 -3.834 9.684 1.00 0.00 C ATOM 1347 O GLU A 98 -0.970 -3.968 8.479 1.00 0.00 O ATOM 1348 CB GLU A 98 0.957 -5.386 10.516 1.00 0.00 C ATOM 1349 CG GLU A 98 1.507 -5.800 11.881 1.00 0.00 C ATOM 1350 CD GLU A 98 1.002 -7.168 12.359 1.00 0.00 C ATOM 1351 OE1 GLU A 98 0.668 -7.250 13.561 1.00 0.00 O ATOM 1352 OE2 GLU A 98 1.012 -8.104 11.530 1.00 0.00 O ATOM 0 H GLU A 98 -1.314 -6.457 9.251 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.777 -4.765 11.618 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.101 -6.198 9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.518 -4.530 10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.596 -5.821 11.833 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.234 -5.044 12.617 1.00 0.00 H new ATOM 1360 N SER A 99 -0.773 -2.675 10.322 1.00 0.00 N ATOM 1361 CA SER A 99 -1.037 -1.396 9.644 1.00 0.00 C ATOM 1362 C SER A 99 0.006 -0.326 9.995 1.00 0.00 C ATOM 1363 O SER A 99 0.041 0.184 11.121 1.00 0.00 O ATOM 1364 CB SER A 99 -2.437 -0.889 9.993 1.00 0.00 C ATOM 1365 OG SER A 99 -3.395 -1.844 9.516 1.00 0.00 O ATOM 0 H SER A 99 -0.576 -2.584 11.319 1.00 0.00 H new ATOM 0 HA SER A 99 -0.971 -1.582 8.572 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.536 -0.758 11.071 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.613 0.085 9.537 1.00 0.00 H new ATOM 0 HG SER A 99 -3.453 -2.592 10.147 1.00 0.00 H new ATOM 1371 N ILE A 100 0.907 -0.074 9.053 1.00 0.00 N ATOM 1372 CA ILE A 100 1.896 1.016 9.200 1.00 0.00 C ATOM 1373 C ILE A 100 1.179 2.323 8.843 1.00 0.00 C ATOM 1374 O ILE A 100 1.114 2.753 7.691 1.00 0.00 O ATOM 1375 CB ILE A 100 3.165 0.796 8.344 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.845 -0.566 8.578 1.00 0.00 C ATOM 1377 CG2 ILE A 100 4.171 1.919 8.527 1.00 0.00 C ATOM 1378 CD1 ILE A 100 4.029 -1.001 10.043 1.00 0.00 C ATOM 0 H ILE A 100 0.983 -0.598 8.181 1.00 0.00 H new ATOM 0 HA ILE A 100 2.262 1.047 10.226 1.00 0.00 H new ATOM 0 HB ILE A 100 2.811 0.799 7.313 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.261 -1.331 8.066 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.826 -0.543 8.103 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.048 1.726 7.909 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.718 2.865 8.230 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.470 1.973 9.574 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.518 -1.975 10.075 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.644 -0.268 10.566 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.055 -1.068 10.528 1.00 0.00 H new ATOM 1390 N ILE A 101 0.595 2.901 9.894 1.00 0.00 N ATOM 1391 CA ILE A 101 -0.224 4.128 9.819 1.00 0.00 C ATOM 1392 C ILE A 101 0.515 5.344 9.236 1.00 0.00 C ATOM 1393 O ILE A 101 -0.134 6.179 8.610 1.00 0.00 O ATOM 1394 CB ILE A 101 -0.804 4.441 11.219 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -1.353 3.193 11.927 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -1.987 5.389 11.061 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -0.982 3.212 13.413 1.00 0.00 C ATOM 0 H ILE A 101 0.675 2.529 10.840 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.031 3.929 9.114 1.00 0.00 H new ATOM 0 HB ILE A 101 0.011 4.863 11.807 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.437 3.153 11.817 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.951 2.295 11.457 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.404 5.617 12.042 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.653 6.311 10.586 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.751 4.918 10.442 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.379 2.321 13.899 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.103 3.229 13.517 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.405 4.100 13.882 1.00 0.00 H new ATOM 1409 N GLY A 102 1.776 5.498 9.634 1.00 0.00 N ATOM 1410 CA GLY A 102 2.699 6.518 9.092 1.00 0.00 C ATOM 1411 C GLY A 102 3.813 5.857 8.268 1.00 0.00 C ATOM 1412 O GLY A 102 4.951 5.731 8.706 1.00 0.00 O ATOM 0 H GLY A 102 2.201 4.913 10.353 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.147 7.221 8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.136 7.092 9.909 1.00 0.00 H new ATOM 1416 N ALA A 103 3.439 5.489 7.045 1.00 0.00 N ATOM 1417 CA ALA A 103 4.304 4.759 6.105 1.00 0.00 C ATOM 1418 C ALA A 103 5.264 5.658 5.304 1.00 0.00 C ATOM 1419 O ALA A 103 5.003 6.107 4.193 1.00 0.00 O ATOM 1420 CB ALA A 103 3.425 3.917 5.185 1.00 0.00 C ATOM 0 H ALA A 103 2.513 5.690 6.668 1.00 0.00 H new ATOM 0 HA ALA A 103 4.961 4.118 6.693 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.053 3.370 4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.847 3.211 5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.746 4.568 4.634 1.00 0.00 H new ATOM 1426 N VAL A 104 6.345 5.983 6.009 1.00 0.00 N ATOM 1427 CA VAL A 104 7.442 6.773 5.420 1.00 0.00 C ATOM 1428 C VAL A 104 8.858 6.134 5.473 1.00 0.00 C ATOM 1429 O VAL A 104 9.575 6.271 4.483 1.00 0.00 O ATOM 1430 CB VAL A 104 7.288 8.270 5.824 1.00 0.00 C ATOM 1431 CG1 VAL A 104 7.657 8.608 7.265 1.00 0.00 C ATOM 1432 CG2 VAL A 104 8.027 9.189 4.855 1.00 0.00 C ATOM 0 H VAL A 104 6.492 5.717 6.983 1.00 0.00 H new ATOM 0 HA VAL A 104 7.335 6.751 4.335 1.00 0.00 H new ATOM 0 HB VAL A 104 6.215 8.448 5.758 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.513 9.675 7.437 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.022 8.041 7.946 1.00 0.00 H new ATOM 0 HG13 VAL A 104 8.701 8.350 7.443 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.898 10.225 5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 104 9.088 8.939 4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.623 9.059 3.851 1.00 0.00 H new ATOM 1442 N PRO A 105 9.265 5.353 6.497 1.00 0.00 N ATOM 1443 CA PRO A 105 10.560 4.648 6.466 1.00 0.00 C ATOM 1444 C PRO A 105 10.403 3.230 5.899 1.00 0.00 C ATOM 1445 O PRO A 105 9.835 2.328 6.524 1.00 0.00 O ATOM 1446 CB PRO A 105 11.093 4.657 7.897 1.00 0.00 C ATOM 1447 CG PRO A 105 9.871 4.859 8.785 1.00 0.00 C ATOM 1448 CD PRO A 105 8.732 5.325 7.872 1.00 0.00 C ATOM 0 HA PRO A 105 11.270 5.143 5.804 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.599 3.721 8.133 1.00 0.00 H new ATOM 0 HB3 PRO A 105 11.819 5.457 8.040 1.00 0.00 H new ATOM 0 HG2 PRO A 105 9.605 3.932 9.293 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.074 5.599 9.559 1.00 0.00 H new ATOM 0 HD2 PRO A 105 7.880 4.648 7.942 1.00 0.00 H new ATOM 0 HD3 PRO A 105 8.379 6.313 8.169 1.00 0.00 H new ATOM 1456 N LYS A 106 11.024 3.068 4.739 1.00 0.00 N ATOM 1457 CA LYS A 106 11.055 1.841 3.909 1.00 0.00 C ATOM 1458 C LYS A 106 11.264 0.547 4.712 1.00 0.00 C ATOM 1459 O LYS A 106 10.447 -0.377 4.653 1.00 0.00 O ATOM 1460 CB LYS A 106 12.163 2.092 2.881 1.00 0.00 C ATOM 1461 CG LYS A 106 12.193 1.149 1.669 1.00 0.00 C ATOM 1462 CD LYS A 106 13.030 -0.110 1.926 1.00 0.00 C ATOM 1463 CE LYS A 106 13.002 -1.053 0.727 1.00 0.00 C ATOM 1464 NZ LYS A 106 11.625 -1.521 0.501 1.00 0.00 N ATOM 0 H LYS A 106 11.556 3.827 4.314 1.00 0.00 H new ATOM 0 HA LYS A 106 10.089 1.668 3.435 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.066 3.115 2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.124 2.025 3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 106 11.174 0.858 1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.598 1.681 0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 106 14.060 0.174 2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 106 12.650 -0.628 2.807 1.00 0.00 H new ATOM 0 HE2 LYS A 106 13.373 -0.541 -0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 106 13.662 -1.903 0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.645 -2.419 -0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.153 -1.665 1.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 11.103 -0.810 -0.050 1.00 0.00 H new ATOM 1478 N SER A 107 12.236 0.580 5.618 1.00 0.00 N ATOM 1479 CA SER A 107 12.569 -0.538 6.529 1.00 0.00 C ATOM 1480 C SER A 107 11.417 -1.036 7.393 1.00 0.00 C ATOM 1481 O SER A 107 11.136 -2.231 7.396 1.00 0.00 O ATOM 1482 CB SER A 107 13.765 -0.114 7.389 1.00 0.00 C ATOM 1483 OG SER A 107 13.566 1.225 7.872 1.00 0.00 O ATOM 0 H SER A 107 12.833 1.396 5.752 1.00 0.00 H new ATOM 0 HA SER A 107 12.814 -1.397 5.904 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.883 -0.800 8.228 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.683 -0.167 6.803 1.00 0.00 H new ATOM 0 HG SER A 107 14.332 1.491 8.423 1.00 0.00 H new ATOM 1489 N THR A 108 10.667 -0.129 8.014 1.00 0.00 N ATOM 1490 CA THR A 108 9.461 -0.440 8.820 1.00 0.00 C ATOM 1491 C THR A 108 8.383 -1.238 8.075 1.00 0.00 C ATOM 1492 O THR A 108 7.700 -2.083 8.639 1.00 0.00 O ATOM 1493 CB THR A 108 8.868 0.885 9.326 1.00 0.00 C ATOM 1494 OG1 THR A 108 9.917 1.646 9.937 1.00 0.00 O ATOM 1495 CG2 THR A 108 7.722 0.692 10.319 1.00 0.00 C ATOM 0 H THR A 108 10.875 0.869 7.978 1.00 0.00 H new ATOM 0 HA THR A 108 9.783 -1.085 9.638 1.00 0.00 H new ATOM 0 HB THR A 108 8.446 1.409 8.469 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.542 2.209 10.646 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.348 1.665 10.637 1.00 0.00 H new ATOM 0 HG22 THR A 108 6.917 0.133 9.842 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.082 0.140 11.187 1.00 0.00 H new ATOM 1503 N LEU A 109 8.223 -0.874 6.813 1.00 0.00 N ATOM 1504 CA LEU A 109 7.353 -1.568 5.844 1.00 0.00 C ATOM 1505 C LEU A 109 7.813 -3.013 5.627 1.00 0.00 C ATOM 1506 O LEU A 109 7.059 -3.930 5.954 1.00 0.00 O ATOM 1507 CB LEU A 109 7.300 -0.805 4.520 1.00 0.00 C ATOM 1508 CG LEU A 109 6.373 0.399 4.653 1.00 0.00 C ATOM 1509 CD1 LEU A 109 7.071 1.644 5.214 1.00 0.00 C ATOM 1510 CD2 LEU A 109 5.803 0.784 3.294 1.00 0.00 C ATOM 0 H LEU A 109 8.702 -0.068 6.412 1.00 0.00 H new ATOM 0 HA LEU A 109 6.345 -1.599 6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.300 -0.476 4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.946 -1.462 3.725 1.00 0.00 H new ATOM 0 HG LEU A 109 5.593 0.087 5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.355 2.463 5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.466 1.424 6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.889 1.932 4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.144 1.645 3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.618 1.037 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.239 -0.054 2.885 1.00 0.00 H new ATOM 1522 N THR A 110 9.107 -3.185 5.408 1.00 0.00 N ATOM 1523 CA THR A 110 9.721 -4.518 5.195 1.00 0.00 C ATOM 1524 C THR A 110 9.593 -5.406 6.440 1.00 0.00 C ATOM 1525 O THR A 110 9.038 -6.506 6.405 1.00 0.00 O ATOM 1526 CB THR A 110 11.183 -4.456 4.765 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.346 -3.426 3.782 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.577 -5.817 4.190 1.00 0.00 C ATOM 0 H THR A 110 9.775 -2.415 5.370 1.00 0.00 H new ATOM 0 HA THR A 110 9.158 -4.959 4.373 1.00 0.00 H new ATOM 0 HB THR A 110 11.824 -4.225 5.616 1.00 0.00 H new ATOM 0 HG1 THR A 110 12.285 -3.383 3.506 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.621 -5.791 3.877 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.445 -6.586 4.952 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.946 -6.046 3.331 1.00 0.00 H new ATOM 1536 N ASP A 111 9.970 -4.783 7.539 1.00 0.00 N ATOM 1537 CA ASP A 111 9.908 -5.316 8.908 1.00 0.00 C ATOM 1538 C ASP A 111 8.524 -5.922 9.212 1.00 0.00 C ATOM 1539 O ASP A 111 8.420 -7.111 9.515 1.00 0.00 O ATOM 1540 CB ASP A 111 10.164 -4.121 9.832 1.00 0.00 C ATOM 1541 CG ASP A 111 10.563 -4.565 11.251 1.00 0.00 C ATOM 1542 OD1 ASP A 111 9.683 -5.117 11.957 1.00 0.00 O ATOM 1543 OD2 ASP A 111 11.739 -4.324 11.591 1.00 0.00 O ATOM 0 H ASP A 111 10.351 -3.837 7.511 1.00 0.00 H new ATOM 0 HA ASP A 111 10.640 -6.112 9.047 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.954 -3.500 9.411 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.267 -3.504 9.884 1.00 0.00 H new ATOM 1549 N SER A 112 7.503 -5.150 8.853 1.00 0.00 N ATOM 1550 CA SER A 112 6.093 -5.509 9.091 1.00 0.00 C ATOM 1551 C SER A 112 5.562 -6.739 8.360 1.00 0.00 C ATOM 1552 O SER A 112 4.578 -7.313 8.813 1.00 0.00 O ATOM 1553 CB SER A 112 5.160 -4.332 8.817 1.00 0.00 C ATOM 1554 OG SER A 112 3.891 -4.573 9.428 1.00 0.00 O ATOM 0 H SER A 112 7.622 -4.251 8.386 1.00 0.00 H new ATOM 0 HA SER A 112 6.096 -5.778 10.147 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.594 -3.412 9.208 1.00 0.00 H new ATOM 0 HB3 SER A 112 5.037 -4.195 7.743 1.00 0.00 H new ATOM 0 HG SER A 112 3.177 -4.394 8.781 1.00 0.00 H new ATOM 1560 N ILE A 113 6.182 -7.089 7.240 1.00 0.00 N ATOM 1561 CA ILE A 113 5.728 -8.241 6.438 1.00 0.00 C ATOM 1562 C ILE A 113 6.330 -9.529 7.024 1.00 0.00 C ATOM 1563 O ILE A 113 5.627 -10.473 7.402 1.00 0.00 O ATOM 1564 CB ILE A 113 6.151 -8.158 4.982 1.00 0.00 C ATOM 1565 CG1 ILE A 113 5.691 -6.826 4.436 1.00 0.00 C ATOM 1566 CG2 ILE A 113 5.602 -9.284 4.118 1.00 0.00 C ATOM 1567 CD1 ILE A 113 6.966 -6.264 3.860 1.00 0.00 C ATOM 0 H ILE A 113 6.994 -6.603 6.861 1.00 0.00 H new ATOM 0 HA ILE A 113 4.639 -8.239 6.476 1.00 0.00 H new ATOM 0 HB ILE A 113 7.236 -8.258 4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.917 -6.942 3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 113 5.279 -6.186 5.216 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.947 -9.157 3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.953 -10.242 4.502 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.512 -9.261 4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.768 -5.284 3.425 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.710 -6.167 4.650 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.343 -6.934 3.087 1.00 0.00 H new ATOM 1579 N GLU A 114 7.652 -9.456 7.136 1.00 0.00 N ATOM 1580 CA GLU A 114 8.535 -10.534 7.651 1.00 0.00 C ATOM 1581 C GLU A 114 8.049 -11.092 8.999 1.00 0.00 C ATOM 1582 O GLU A 114 8.011 -12.294 9.227 1.00 0.00 O ATOM 1583 CB GLU A 114 9.948 -9.977 7.813 1.00 0.00 C ATOM 1584 CG GLU A 114 10.477 -9.427 6.477 1.00 0.00 C ATOM 1585 CD GLU A 114 11.888 -8.851 6.628 1.00 0.00 C ATOM 1586 OE1 GLU A 114 11.994 -7.734 7.189 1.00 0.00 O ATOM 1587 OE2 GLU A 114 12.825 -9.567 6.214 1.00 0.00 O ATOM 0 H GLU A 114 8.171 -8.621 6.865 1.00 0.00 H new ATOM 0 HA GLU A 114 8.518 -11.354 6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.948 -9.185 8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.613 -10.760 8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.485 -10.223 5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.804 -8.653 6.109 1.00 0.00 H new ATOM 1595 N LYS A 115 7.491 -10.146 9.751 1.00 0.00 N ATOM 1596 CA LYS A 115 6.786 -10.281 11.035 1.00 0.00 C ATOM 1597 C LYS A 115 5.815 -11.471 11.114 1.00 0.00 C ATOM 1598 O LYS A 115 5.723 -12.139 12.148 1.00 0.00 O ATOM 1599 CB LYS A 115 6.058 -8.946 11.100 1.00 0.00 C ATOM 1600 CG LYS A 115 5.340 -8.728 12.431 1.00 0.00 C ATOM 1601 CD LYS A 115 4.649 -7.364 12.476 1.00 0.00 C ATOM 1602 CE LYS A 115 5.615 -6.184 12.613 1.00 0.00 C ATOM 1603 NZ LYS A 115 6.338 -6.250 13.884 1.00 0.00 N ATOM 0 H LYS A 115 7.521 -9.171 9.453 1.00 0.00 H new ATOM 0 HA LYS A 115 7.459 -10.489 11.867 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.773 -8.139 10.942 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.333 -8.893 10.288 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.602 -9.516 12.582 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.057 -8.802 13.249 1.00 0.00 H new ATOM 0 HD2 LYS A 115 4.060 -7.236 11.568 1.00 0.00 H new ATOM 0 HD3 LYS A 115 3.951 -7.349 13.313 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.324 -6.190 11.785 1.00 0.00 H new ATOM 0 HE3 LYS A 115 5.062 -5.247 12.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.774 -5.327 14.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.675 -6.492 14.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.079 -6.977 13.825 1.00 0.00 H new ATOM 1617 N TYR A 116 5.025 -11.638 10.053 1.00 0.00 N ATOM 1618 CA TYR A 116 4.008 -12.697 9.962 1.00 0.00 C ATOM 1619 C TYR A 116 4.338 -13.845 9.002 1.00 0.00 C ATOM 1620 O TYR A 116 3.829 -14.945 9.182 1.00 0.00 O ATOM 1621 CB TYR A 116 2.615 -12.107 9.681 1.00 0.00 C ATOM 1622 CG TYR A 116 2.578 -11.168 8.478 1.00 0.00 C ATOM 1623 CD1 TYR A 116 2.578 -11.704 7.182 1.00 0.00 C ATOM 1624 CD2 TYR A 116 2.454 -9.787 8.738 1.00 0.00 C ATOM 1625 CE1 TYR A 116 2.492 -10.832 6.086 1.00 0.00 C ATOM 1626 CE2 TYR A 116 2.347 -8.915 7.636 1.00 0.00 C ATOM 1627 CZ TYR A 116 2.397 -9.441 6.339 1.00 0.00 C ATOM 1628 OH TYR A 116 2.485 -8.584 5.287 1.00 0.00 O ATOM 0 H TYR A 116 5.069 -11.042 9.226 1.00 0.00 H new ATOM 0 HA TYR A 116 4.006 -13.164 10.947 1.00 0.00 H new ATOM 0 HB2 TYR A 116 1.911 -12.923 9.516 1.00 0.00 H new ATOM 0 HB3 TYR A 116 2.274 -11.566 10.564 1.00 0.00 H new ATOM 0 HD1 TYR A 116 2.643 -12.771 7.030 1.00 0.00 H new ATOM 0 HD2 TYR A 116 2.441 -9.410 9.750 1.00 0.00 H new ATOM 0 HE1 TYR A 116 2.498 -11.212 5.075 1.00 0.00 H new ATOM 0 HE2 TYR A 116 2.228 -7.853 7.790 1.00 0.00 H new ATOM 0 HH TYR A 116 1.871 -8.871 4.579 1.00 0.00 H new ATOM 1638 N LEU A 117 5.112 -13.580 7.943 1.00 0.00 N ATOM 1639 CA LEU A 117 5.665 -14.679 7.117 1.00 0.00 C ATOM 1640 C LEU A 117 7.041 -15.048 7.658 1.00 0.00 C ATOM 1641 O LEU A 117 8.103 -14.950 7.036 1.00 0.00 O ATOM 1642 CB LEU A 117 5.574 -14.465 5.601 1.00 0.00 C ATOM 1643 CG LEU A 117 5.980 -13.091 5.092 1.00 0.00 C ATOM 1644 CD1 LEU A 117 7.432 -13.062 4.615 1.00 0.00 C ATOM 1645 CD2 LEU A 117 5.053 -12.773 3.925 1.00 0.00 C ATOM 0 H LEU A 117 5.369 -12.642 7.637 1.00 0.00 H new ATOM 0 HA LEU A 117 5.022 -15.553 7.221 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.200 -15.211 5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.547 -14.657 5.289 1.00 0.00 H new ATOM 0 HG LEU A 117 5.899 -12.359 5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.678 -12.061 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.092 -13.327 5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.563 -13.777 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.302 -11.792 3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.174 -13.528 3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.020 -12.771 4.271 1.00 0.00 H new