USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 546 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 62 TYR OH : rot 165:sc=-0.00367 USER MOD Set 1.2: A 100 MET CE :methyl -132:sc= -0.161 (180deg=-0.786) USER MOD Set 2.1: A 50 SER OG : rot 180:sc= 0.225 USER MOD Set 2.2: A 78 THR OG1 : rot 123:sc= 0.249 USER MOD Single : A 28 GLN : amide:sc= -1.3! K(o=-1.3!,f=-0.0055) USER MOD Single : A 31 SER OG : rot -94:sc= 1.24 USER MOD Single : A 36 SER OG : rot 180:sc= -0.212 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0114 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.47 K(o=-1.5,f=-2.7!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 43:sc= 0.426 USER MOD Single : A 57 SER OG : rot 180:sc= -1.45 USER MOD Single : A 58 ASN : amide:sc= -0.329 K(o=-0.33,f=-4.1!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 61 THR OG1 : rot 10:sc= 1.31 USER MOD Single : A 63 SER OG : rot 180:sc= -0.297 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 3:sc= 1.19 USER MOD Single : A 70 SER OG : rot 73:sc= 0.151 USER MOD Single : A 76 ASN : amide:sc= -0.114 K(o=-0.11,f=-0.77) USER MOD Single : A 79 THR OG1 : rot -7:sc= 1.11 USER MOD Single : A 81 GLN : amide:sc= -1.64 K(o=-1.6,f=-0.27) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0143 USER MOD Single : A 85 HIS : no HD1:sc= -1.29 K(o=-1.3,f=0.083) USER MOD Single : A 87 LYS NZ :NH3+ 162:sc= -0.0228 (180deg=-0.317) USER MOD Single : A 88 THR OG1 : rot -178:sc= 0.857 USER MOD Single : A 99 TYR OH : rot 30:sc= -0.0777 USER MOD Single : A 104 THR OG1 : rot -172:sc= 0.0582 USER MOD Single : A 105 SER OG : rot 180:sc= -1.58! USER MOD Single : A 106 ASN : amide:sc= -1.79! K(o=-1.8!,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 25 -0.886 -6.965 0.663 1.00 0.00 N ATOM 33 CA ASP A 25 0.352 -6.996 1.438 1.00 0.00 C ATOM 34 C ASP A 25 1.124 -5.689 1.294 1.00 0.00 C ATOM 35 O ASP A 25 1.993 -5.553 0.431 1.00 0.00 O ATOM 36 CB ASP A 25 1.233 -8.181 1.022 1.00 0.00 C ATOM 37 CG ASP A 25 2.499 -8.284 1.851 1.00 0.00 C ATOM 38 OD1 ASP A 25 2.400 -8.504 3.079 1.00 0.00 O ATOM 39 OD2 ASP A 25 3.603 -8.163 1.277 1.00 0.00 O ATOM 0 HA ASP A 25 0.079 -7.120 2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.663 -9.105 1.119 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.499 -8.080 -0.030 1.00 0.00 H new ATOM 44 N GLY A 26 0.773 -4.729 2.134 1.00 0.00 N ATOM 45 CA GLY A 26 1.429 -3.438 2.137 1.00 0.00 C ATOM 46 C GLY A 26 0.876 -2.501 1.083 1.00 0.00 C ATOM 47 O GLY A 26 0.875 -2.813 -0.109 1.00 0.00 O ATOM 0 H GLY A 26 0.031 -4.824 2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.317 -2.980 3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.497 -3.577 1.970 1.00 0.00 H new ATOM 51 N VAL A 27 0.403 -1.354 1.521 1.00 0.00 N ATOM 52 CA VAL A 27 -0.164 -0.367 0.615 1.00 0.00 C ATOM 53 C VAL A 27 0.865 0.704 0.278 1.00 0.00 C ATOM 54 O VAL A 27 1.751 1.001 1.077 1.00 0.00 O ATOM 55 CB VAL A 27 -1.427 0.297 1.211 1.00 0.00 C ATOM 56 CG1 VAL A 27 -2.514 -0.735 1.455 1.00 0.00 C ATOM 57 CG2 VAL A 27 -1.097 1.038 2.498 1.00 0.00 C ATOM 0 H VAL A 27 0.398 -1.077 2.503 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.452 -0.893 -0.296 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.798 1.022 0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.393 -0.245 1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.780 -1.213 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.150 -1.488 2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.002 1.496 2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.693 0.337 3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.359 1.813 2.293 1.00 0.00 H new ATOM 67 N GLN A 28 0.776 1.268 -0.910 1.00 0.00 N ATOM 68 CA GLN A 28 1.672 2.341 -1.284 1.00 0.00 C ATOM 69 C GLN A 28 0.895 3.534 -1.819 1.00 0.00 C ATOM 70 O GLN A 28 -0.258 3.401 -2.233 1.00 0.00 O ATOM 71 CB GLN A 28 2.689 1.856 -2.314 1.00 0.00 C ATOM 72 CG GLN A 28 2.076 1.291 -3.585 1.00 0.00 C ATOM 73 CD GLN A 28 3.119 0.948 -4.634 1.00 0.00 C ATOM 74 OE1 GLN A 28 2.943 0.022 -5.423 1.00 0.00 O ATOM 75 NE2 GLN A 28 4.214 1.693 -4.654 1.00 0.00 N ATOM 0 H GLN A 28 0.099 1.004 -1.626 1.00 0.00 H new ATOM 0 HA GLN A 28 2.211 2.660 -0.392 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.344 2.686 -2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.315 1.090 -1.856 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.503 0.396 -3.341 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.374 2.015 -3.999 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.326 2.454 -3.984 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.945 1.506 -5.340 1.00 0.00 H new ATOM 84 N ILE A 29 1.530 4.699 -1.798 1.00 0.00 N ATOM 85 CA ILE A 29 0.914 5.915 -2.312 1.00 0.00 C ATOM 86 C ILE A 29 1.075 5.992 -3.819 1.00 0.00 C ATOM 87 O ILE A 29 2.181 6.160 -4.331 1.00 0.00 O ATOM 88 CB ILE A 29 1.487 7.196 -1.662 1.00 0.00 C ATOM 89 CG1 ILE A 29 2.847 6.926 -1.005 1.00 0.00 C ATOM 90 CG2 ILE A 29 0.497 7.754 -0.655 1.00 0.00 C ATOM 91 CD1 ILE A 29 3.448 8.137 -0.325 1.00 0.00 C ATOM 0 H ILE A 29 2.473 4.827 -1.430 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.144 5.863 -2.053 1.00 0.00 H new ATOM 0 HB ILE A 29 1.646 7.938 -2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.734 6.128 -0.271 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.541 6.565 -1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.908 8.656 -0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.438 7.996 -1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.309 7.011 0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.408 7.868 0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.595 8.930 -1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.775 8.486 0.458 1.00 0.00 H new ATOM 103 N ASP A 30 -0.038 5.863 -4.513 1.00 0.00 N ATOM 104 CA ASP A 30 -0.046 5.806 -5.965 1.00 0.00 C ATOM 105 C ASP A 30 0.282 7.156 -6.576 1.00 0.00 C ATOM 106 O ASP A 30 1.283 7.308 -7.277 1.00 0.00 O ATOM 107 CB ASP A 30 -1.418 5.360 -6.450 1.00 0.00 C ATOM 108 CG ASP A 30 -1.472 5.181 -7.949 1.00 0.00 C ATOM 109 OD1 ASP A 30 -1.099 4.095 -8.433 1.00 0.00 O ATOM 110 OD2 ASP A 30 -1.899 6.125 -8.650 1.00 0.00 O ATOM 0 H ASP A 30 -0.963 5.795 -4.089 1.00 0.00 H new ATOM 0 HA ASP A 30 0.717 5.093 -6.277 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.683 4.420 -5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.163 6.096 -6.148 1.00 0.00 H new ATOM 115 N SER A 31 -0.574 8.129 -6.313 1.00 0.00 N ATOM 116 CA SER A 31 -0.415 9.448 -6.900 1.00 0.00 C ATOM 117 C SER A 31 -1.081 10.525 -6.053 1.00 0.00 C ATOM 118 O SER A 31 -2.114 10.296 -5.430 1.00 0.00 O ATOM 119 CB SER A 31 -0.985 9.453 -8.319 1.00 0.00 C ATOM 120 OG SER A 31 -2.253 8.811 -8.366 1.00 0.00 O ATOM 0 H SER A 31 -1.383 8.031 -5.699 1.00 0.00 H new ATOM 0 HA SER A 31 0.650 9.677 -6.937 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.081 10.480 -8.672 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.293 8.948 -8.993 1.00 0.00 H new ATOM 0 HG SER A 31 -2.134 7.870 -8.612 1.00 0.00 H new ATOM 126 N VAL A 32 -0.466 11.691 -6.029 1.00 0.00 N ATOM 127 CA VAL A 32 -0.981 12.832 -5.287 1.00 0.00 C ATOM 128 C VAL A 32 -1.905 13.672 -6.173 1.00 0.00 C ATOM 129 O VAL A 32 -1.559 13.991 -7.313 1.00 0.00 O ATOM 130 CB VAL A 32 0.176 13.712 -4.769 1.00 0.00 C ATOM 131 CG1 VAL A 32 -0.354 14.923 -4.016 1.00 0.00 C ATOM 132 CG2 VAL A 32 1.113 12.903 -3.884 1.00 0.00 C ATOM 0 H VAL A 32 0.407 11.877 -6.523 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.547 12.453 -4.436 1.00 0.00 H new ATOM 0 HB VAL A 32 0.738 14.068 -5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.482 15.526 -3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.977 15.521 -4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.948 14.591 -3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.921 13.543 -3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.560 12.511 -3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.530 12.075 -4.457 1.00 0.00 H new ATOM 142 N VAL A 33 -3.075 14.029 -5.655 1.00 0.00 N ATOM 143 CA VAL A 33 -4.039 14.792 -6.421 1.00 0.00 C ATOM 144 C VAL A 33 -4.123 16.242 -5.932 1.00 0.00 C ATOM 145 O VAL A 33 -4.175 16.504 -4.731 1.00 0.00 O ATOM 146 CB VAL A 33 -5.435 14.138 -6.370 1.00 0.00 C ATOM 147 CG1 VAL A 33 -5.436 12.820 -7.127 1.00 0.00 C ATOM 148 CG2 VAL A 33 -5.894 13.925 -4.933 1.00 0.00 C ATOM 0 H VAL A 33 -3.374 13.800 -4.707 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.694 14.797 -7.455 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.138 14.818 -6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.429 12.374 -7.080 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.168 12.998 -8.168 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.712 12.141 -6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.881 13.463 -4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.187 13.274 -4.418 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.942 14.886 -4.420 1.00 0.00 H new ATOM 158 N PRO A 34 -4.116 17.201 -6.873 1.00 0.00 N ATOM 159 CA PRO A 34 -4.227 18.632 -6.561 1.00 0.00 C ATOM 160 C PRO A 34 -5.593 18.990 -5.979 1.00 0.00 C ATOM 161 O PRO A 34 -6.624 18.452 -6.397 1.00 0.00 O ATOM 162 CB PRO A 34 -4.030 19.319 -7.919 1.00 0.00 C ATOM 163 CG PRO A 34 -3.440 18.277 -8.808 1.00 0.00 C ATOM 164 CD PRO A 34 -3.984 16.971 -8.315 1.00 0.00 C ATOM 0 HA PRO A 34 -3.501 18.939 -5.808 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -4.977 19.684 -8.316 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.369 20.181 -7.831 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.715 18.448 -9.849 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.351 18.291 -8.760 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.942 16.731 -8.776 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.309 16.143 -8.533 1.00 0.00 H new ATOM 172 N GLY A 35 -5.595 19.901 -5.014 1.00 0.00 N ATOM 173 CA GLY A 35 -6.821 20.274 -4.340 1.00 0.00 C ATOM 174 C GLY A 35 -6.804 19.839 -2.892 1.00 0.00 C ATOM 175 O GLY A 35 -7.592 20.314 -2.073 1.00 0.00 O ATOM 0 H GLY A 35 -4.763 20.390 -4.685 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.956 21.354 -4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.671 19.820 -4.849 1.00 0.00 H new ATOM 179 N SER A 36 -5.885 18.939 -2.580 1.00 0.00 N ATOM 180 CA SER A 36 -5.729 18.416 -1.236 1.00 0.00 C ATOM 181 C SER A 36 -4.297 18.651 -0.753 1.00 0.00 C ATOM 182 O SER A 36 -3.426 18.999 -1.550 1.00 0.00 O ATOM 183 CB SER A 36 -6.068 16.931 -1.241 1.00 0.00 C ATOM 184 OG SER A 36 -7.368 16.707 -1.764 1.00 0.00 O ATOM 0 H SER A 36 -5.226 18.551 -3.255 1.00 0.00 H new ATOM 0 HA SER A 36 -6.405 18.929 -0.552 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.334 16.389 -1.837 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.008 16.537 -0.226 1.00 0.00 H new ATOM 0 HG SER A 36 -7.562 15.746 -1.758 1.00 0.00 H new ATOM 190 N PRO A 37 -4.037 18.515 0.557 1.00 0.00 N ATOM 191 CA PRO A 37 -2.696 18.683 1.120 1.00 0.00 C ATOM 192 C PRO A 37 -1.780 17.492 0.818 1.00 0.00 C ATOM 193 O PRO A 37 -2.096 16.649 -0.023 1.00 0.00 O ATOM 194 CB PRO A 37 -2.945 18.797 2.636 1.00 0.00 C ATOM 195 CG PRO A 37 -4.429 18.872 2.806 1.00 0.00 C ATOM 196 CD PRO A 37 -5.019 18.208 1.599 1.00 0.00 C ATOM 0 HA PRO A 37 -2.188 19.548 0.694 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.535 17.936 3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.460 19.683 3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.743 18.368 3.720 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.761 19.907 2.883 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.136 17.134 1.743 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.005 18.606 1.358 1.00 0.00 H new ATOM 204 N ALA A 38 -0.627 17.467 1.495 1.00 0.00 N ATOM 205 CA ALA A 38 0.337 16.363 1.417 1.00 0.00 C ATOM 206 C ALA A 38 1.187 16.422 0.148 1.00 0.00 C ATOM 207 O ALA A 38 2.142 15.659 0.010 1.00 0.00 O ATOM 208 CB ALA A 38 -0.352 15.004 1.537 1.00 0.00 C ATOM 0 H ALA A 38 -0.334 18.219 2.118 1.00 0.00 H new ATOM 0 HA ALA A 38 1.008 16.483 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.394 14.211 1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.869 14.942 2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.073 14.889 0.727 1.00 0.00 H new ATOM 214 N SER A 39 0.864 17.352 -0.749 1.00 0.00 N ATOM 215 CA SER A 39 1.559 17.474 -2.029 1.00 0.00 C ATOM 216 C SER A 39 3.059 17.715 -1.837 1.00 0.00 C ATOM 217 O SER A 39 3.873 17.302 -2.659 1.00 0.00 O ATOM 218 CB SER A 39 0.950 18.626 -2.826 1.00 0.00 C ATOM 219 OG SER A 39 -0.467 18.594 -2.749 1.00 0.00 O ATOM 0 H SER A 39 0.120 18.036 -0.611 1.00 0.00 H new ATOM 0 HA SER A 39 1.440 16.536 -2.572 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.319 19.577 -2.441 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.264 18.561 -3.868 1.00 0.00 H new ATOM 0 HG SER A 39 -0.840 19.340 -3.264 1.00 0.00 H new ATOM 225 N LYS A 40 3.410 18.382 -0.747 1.00 0.00 N ATOM 226 CA LYS A 40 4.804 18.684 -0.449 1.00 0.00 C ATOM 227 C LYS A 40 5.228 18.051 0.871 1.00 0.00 C ATOM 228 O LYS A 40 6.208 18.466 1.492 1.00 0.00 O ATOM 229 CB LYS A 40 5.008 20.198 -0.404 1.00 0.00 C ATOM 230 CG LYS A 40 5.028 20.855 -1.775 1.00 0.00 C ATOM 231 CD LYS A 40 6.322 20.553 -2.517 1.00 0.00 C ATOM 232 CE LYS A 40 6.364 21.230 -3.877 1.00 0.00 C ATOM 233 NZ LYS A 40 7.732 21.233 -4.460 1.00 0.00 N ATOM 0 H LYS A 40 2.747 18.726 -0.052 1.00 0.00 H new ATOM 0 HA LYS A 40 5.427 18.263 -1.239 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.212 20.645 0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.947 20.414 0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.180 20.502 -2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.913 21.933 -1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.170 20.886 -1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.425 19.475 -2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.682 20.719 -4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.009 22.256 -3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.713 21.704 -5.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.379 21.743 -3.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.062 20.254 -4.576 1.00 0.00 H new ATOM 247 N VAL A 41 4.487 17.040 1.292 1.00 0.00 N ATOM 248 CA VAL A 41 4.797 16.326 2.523 1.00 0.00 C ATOM 249 C VAL A 41 5.346 14.943 2.200 1.00 0.00 C ATOM 250 O VAL A 41 6.368 14.524 2.745 1.00 0.00 O ATOM 251 CB VAL A 41 3.557 16.187 3.434 1.00 0.00 C ATOM 252 CG1 VAL A 41 3.892 15.392 4.690 1.00 0.00 C ATOM 253 CG2 VAL A 41 3.003 17.557 3.798 1.00 0.00 C ATOM 0 H VAL A 41 3.664 16.693 0.799 1.00 0.00 H new ATOM 0 HA VAL A 41 5.547 16.908 3.059 1.00 0.00 H new ATOM 0 HB VAL A 41 2.791 15.642 2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.003 15.308 5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.234 14.396 4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.679 15.903 5.245 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.130 17.438 4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.766 18.130 4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.716 18.086 2.890 1.00 0.00 H new ATOM 263 N LEU A 42 4.673 14.242 1.300 1.00 0.00 N ATOM 264 CA LEU A 42 5.111 12.922 0.892 1.00 0.00 C ATOM 265 C LEU A 42 5.432 12.883 -0.587 1.00 0.00 C ATOM 266 O LEU A 42 5.167 13.834 -1.319 1.00 0.00 O ATOM 267 CB LEU A 42 4.062 11.865 1.232 1.00 0.00 C ATOM 268 CG LEU A 42 2.601 12.314 1.135 1.00 0.00 C ATOM 269 CD1 LEU A 42 2.125 12.313 -0.309 1.00 0.00 C ATOM 270 CD2 LEU A 42 1.723 11.419 1.989 1.00 0.00 C ATOM 0 H LEU A 42 3.823 14.568 0.840 1.00 0.00 H new ATOM 0 HA LEU A 42 6.022 12.696 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.205 11.013 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.246 11.512 2.247 1.00 0.00 H new ATOM 0 HG LEU A 42 2.529 13.335 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.085 12.636 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.740 12.996 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.209 11.307 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.686 11.747 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.805 10.390 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.046 11.477 3.028 1.00 0.00 H new ATOM 282 N THR A 43 5.996 11.774 -1.014 1.00 0.00 N ATOM 283 CA THR A 43 6.360 11.594 -2.402 1.00 0.00 C ATOM 284 C THR A 43 5.546 10.460 -3.013 1.00 0.00 C ATOM 285 O THR A 43 5.512 9.353 -2.473 1.00 0.00 O ATOM 286 CB THR A 43 7.862 11.281 -2.546 1.00 0.00 C ATOM 287 OG1 THR A 43 8.638 12.203 -1.758 1.00 0.00 O ATOM 288 CG2 THR A 43 8.294 11.368 -4.003 1.00 0.00 C ATOM 0 H THR A 43 6.214 10.978 -0.414 1.00 0.00 H new ATOM 0 HA THR A 43 6.147 12.524 -2.928 1.00 0.00 H new ATOM 0 HB THR A 43 8.033 10.265 -2.189 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.591 11.995 -1.855 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.358 11.143 -4.081 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.727 10.649 -4.594 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.107 12.374 -4.378 1.00 0.00 H new ATOM 296 N PRO A 44 4.859 10.719 -4.135 1.00 0.00 N ATOM 297 CA PRO A 44 4.093 9.689 -4.831 1.00 0.00 C ATOM 298 C PRO A 44 4.996 8.562 -5.327 1.00 0.00 C ATOM 299 O PRO A 44 6.130 8.797 -5.754 1.00 0.00 O ATOM 300 CB PRO A 44 3.451 10.436 -6.006 1.00 0.00 C ATOM 301 CG PRO A 44 4.269 11.672 -6.176 1.00 0.00 C ATOM 302 CD PRO A 44 4.780 12.023 -4.808 1.00 0.00 C ATOM 0 HA PRO A 44 3.358 9.210 -4.184 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.461 9.829 -6.911 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.409 10.679 -5.797 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.093 11.502 -6.868 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.669 12.483 -6.588 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.753 12.512 -4.855 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.106 12.704 -4.289 1.00 0.00 H new ATOM 310 N GLY A 45 4.495 7.341 -5.250 1.00 0.00 N ATOM 311 CA GLY A 45 5.272 6.194 -5.678 1.00 0.00 C ATOM 312 C GLY A 45 5.961 5.481 -4.527 1.00 0.00 C ATOM 313 O GLY A 45 6.582 4.436 -4.725 1.00 0.00 O ATOM 0 H GLY A 45 3.563 7.121 -4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.618 5.491 -6.194 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.023 6.519 -6.398 1.00 0.00 H new ATOM 317 N LEU A 46 5.864 6.043 -3.326 1.00 0.00 N ATOM 318 CA LEU A 46 6.484 5.430 -2.155 1.00 0.00 C ATOM 319 C LEU A 46 5.567 4.377 -1.540 1.00 0.00 C ATOM 320 O LEU A 46 4.374 4.335 -1.833 1.00 0.00 O ATOM 321 CB LEU A 46 6.829 6.486 -1.102 1.00 0.00 C ATOM 322 CG LEU A 46 7.862 7.529 -1.531 1.00 0.00 C ATOM 323 CD1 LEU A 46 8.174 8.471 -0.379 1.00 0.00 C ATOM 324 CD2 LEU A 46 9.131 6.855 -2.028 1.00 0.00 C ATOM 0 H LEU A 46 5.367 6.914 -3.138 1.00 0.00 H new ATOM 0 HA LEU A 46 7.403 4.948 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.913 7.003 -0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.199 5.979 -0.211 1.00 0.00 H new ATOM 0 HG LEU A 46 7.442 8.112 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.911 9.207 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.262 8.981 -0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.573 7.900 0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.853 7.615 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.556 6.246 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.895 6.221 -2.882 1.00 0.00 H new ATOM 336 N VAL A 47 6.129 3.530 -0.689 1.00 0.00 N ATOM 337 CA VAL A 47 5.356 2.500 -0.011 1.00 0.00 C ATOM 338 C VAL A 47 5.050 2.921 1.427 1.00 0.00 C ATOM 339 O VAL A 47 5.877 3.561 2.079 1.00 0.00 O ATOM 340 CB VAL A 47 6.108 1.148 -0.012 1.00 0.00 C ATOM 341 CG1 VAL A 47 5.266 0.057 0.630 1.00 0.00 C ATOM 342 CG2 VAL A 47 6.493 0.758 -1.432 1.00 0.00 C ATOM 0 H VAL A 47 7.121 3.536 -0.451 1.00 0.00 H new ATOM 0 HA VAL A 47 4.419 2.375 -0.554 1.00 0.00 H new ATOM 0 HB VAL A 47 7.018 1.263 0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.817 -0.883 0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.040 0.331 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.336 -0.060 0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.021 -0.195 -1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.593 0.665 -2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.140 1.525 -1.857 1.00 0.00 H new ATOM 352 N ILE A 48 3.861 2.576 1.908 1.00 0.00 N ATOM 353 CA ILE A 48 3.436 2.911 3.259 1.00 0.00 C ATOM 354 C ILE A 48 3.505 1.678 4.154 1.00 0.00 C ATOM 355 O ILE A 48 2.959 0.627 3.819 1.00 0.00 O ATOM 356 CB ILE A 48 1.986 3.448 3.275 1.00 0.00 C ATOM 357 CG1 ILE A 48 1.834 4.630 2.313 1.00 0.00 C ATOM 358 CG2 ILE A 48 1.585 3.857 4.686 1.00 0.00 C ATOM 359 CD1 ILE A 48 0.411 5.136 2.198 1.00 0.00 C ATOM 0 H ILE A 48 3.166 2.057 1.372 1.00 0.00 H new ATOM 0 HA ILE A 48 4.108 3.685 3.630 1.00 0.00 H new ATOM 0 HB ILE A 48 1.323 2.649 2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.475 5.445 2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.186 4.332 1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.562 4.233 4.679 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.650 2.993 5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.256 4.638 5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.378 5.973 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.232 4.335 1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.062 5.465 3.177 1.00 0.00 H new ATOM 371 N GLU A 49 4.182 1.806 5.280 1.00 0.00 N ATOM 372 CA GLU A 49 4.250 0.724 6.246 1.00 0.00 C ATOM 373 C GLU A 49 3.107 0.816 7.238 1.00 0.00 C ATOM 374 O GLU A 49 2.410 -0.168 7.490 1.00 0.00 O ATOM 375 CB GLU A 49 5.577 0.726 7.001 1.00 0.00 C ATOM 376 CG GLU A 49 6.771 0.332 6.155 1.00 0.00 C ATOM 377 CD GLU A 49 7.951 -0.082 7.006 1.00 0.00 C ATOM 378 OE1 GLU A 49 7.957 -1.232 7.497 1.00 0.00 O ATOM 379 OE2 GLU A 49 8.872 0.739 7.201 1.00 0.00 O ATOM 0 H GLU A 49 4.692 2.647 5.549 1.00 0.00 H new ATOM 0 HA GLU A 49 4.171 -0.209 5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.748 1.722 7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.503 0.042 7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.493 -0.490 5.495 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.058 1.169 5.519 1.00 0.00 H new ATOM 386 N SER A 50 2.887 2.004 7.785 1.00 0.00 N ATOM 387 CA SER A 50 1.921 2.146 8.851 1.00 0.00 C ATOM 388 C SER A 50 1.406 3.567 8.972 1.00 0.00 C ATOM 389 O SER A 50 2.076 4.532 8.594 1.00 0.00 O ATOM 390 CB SER A 50 2.547 1.709 10.179 1.00 0.00 C ATOM 391 OG SER A 50 3.805 2.338 10.383 1.00 0.00 O ATOM 0 H SER A 50 3.358 2.866 7.510 1.00 0.00 H new ATOM 0 HA SER A 50 1.071 1.508 8.610 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.875 1.958 11.001 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.673 0.626 10.187 1.00 0.00 H new ATOM 0 HG SER A 50 4.183 2.044 11.238 1.00 0.00 H new ATOM 397 N ILE A 51 0.195 3.667 9.487 1.00 0.00 N ATOM 398 CA ILE A 51 -0.387 4.935 9.885 1.00 0.00 C ATOM 399 C ILE A 51 -0.158 5.077 11.390 1.00 0.00 C ATOM 400 O ILE A 51 0.450 4.196 11.991 1.00 0.00 O ATOM 401 CB ILE A 51 -1.902 4.983 9.536 1.00 0.00 C ATOM 402 CG1 ILE A 51 -2.129 4.501 8.098 1.00 0.00 C ATOM 403 CG2 ILE A 51 -2.478 6.385 9.705 1.00 0.00 C ATOM 404 CD1 ILE A 51 -3.577 4.562 7.653 1.00 0.00 C ATOM 0 H ILE A 51 -0.417 2.865 9.642 1.00 0.00 H new ATOM 0 HA ILE A 51 0.079 5.762 9.350 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.419 4.321 10.231 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.525 5.107 7.422 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.774 3.474 8.009 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.538 6.376 9.451 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.355 6.707 10.739 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.953 7.076 9.045 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.657 4.205 6.626 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.185 3.933 8.304 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.932 5.591 7.708 1.00 0.00 H new ATOM 416 N ASN A 52 -0.612 6.173 11.986 1.00 0.00 N ATOM 417 CA ASN A 52 -0.405 6.446 13.409 1.00 0.00 C ATOM 418 C ASN A 52 -0.788 5.254 14.290 1.00 0.00 C ATOM 419 O ASN A 52 -1.952 5.090 14.654 1.00 0.00 O ATOM 420 CB ASN A 52 -1.223 7.666 13.812 1.00 0.00 C ATOM 421 CG ASN A 52 -0.807 8.255 15.144 1.00 0.00 C ATOM 422 OD1 ASN A 52 -0.393 7.549 16.064 1.00 0.00 O ATOM 423 ND2 ASN A 52 -0.905 9.568 15.244 1.00 0.00 N ATOM 0 H ASN A 52 -1.135 6.900 11.498 1.00 0.00 H new ATOM 0 HA ASN A 52 0.658 6.634 13.560 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.128 8.429 13.040 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.276 7.389 13.858 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.632 10.035 16.109 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.253 10.115 14.457 1.00 0.00 H new ATOM 430 N GLY A 53 0.201 4.421 14.606 1.00 0.00 N ATOM 431 CA GLY A 53 -0.022 3.255 15.445 1.00 0.00 C ATOM 432 C GLY A 53 -0.774 2.141 14.737 1.00 0.00 C ATOM 433 O GLY A 53 -0.967 1.064 15.300 1.00 0.00 O ATOM 0 H GLY A 53 1.164 4.536 14.291 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.940 2.874 15.788 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.581 3.555 16.331 1.00 0.00 H new ATOM 437 N MET A 54 -1.171 2.381 13.496 1.00 0.00 N ATOM 438 CA MET A 54 -2.025 1.451 12.770 1.00 0.00 C ATOM 439 C MET A 54 -1.382 1.052 11.445 1.00 0.00 C ATOM 440 O MET A 54 -1.453 1.798 10.470 1.00 0.00 O ATOM 441 CB MET A 54 -3.388 2.095 12.492 1.00 0.00 C ATOM 442 CG MET A 54 -4.010 2.771 13.705 1.00 0.00 C ATOM 443 SD MET A 54 -5.515 3.681 13.302 1.00 0.00 S ATOM 444 CE MET A 54 -5.739 4.625 14.807 1.00 0.00 C ATOM 0 H MET A 54 -0.914 3.215 12.968 1.00 0.00 H new ATOM 0 HA MET A 54 -2.157 0.561 13.385 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.275 2.831 11.696 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.072 1.330 12.124 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.237 2.017 14.459 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.285 3.454 14.146 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.632 5.243 14.719 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.851 3.944 15.651 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.870 5.263 14.969 1.00 0.00 H new ATOM 454 N PRO A 55 -0.731 -0.113 11.385 1.00 0.00 N ATOM 455 CA PRO A 55 -0.116 -0.597 10.152 1.00 0.00 C ATOM 456 C PRO A 55 -1.148 -1.170 9.185 1.00 0.00 C ATOM 457 O PRO A 55 -1.987 -1.988 9.562 1.00 0.00 O ATOM 458 CB PRO A 55 0.837 -1.682 10.639 1.00 0.00 C ATOM 459 CG PRO A 55 0.221 -2.200 11.895 1.00 0.00 C ATOM 460 CD PRO A 55 -0.542 -1.054 12.507 1.00 0.00 C ATOM 0 HA PRO A 55 0.380 0.198 9.595 1.00 0.00 H new ATOM 0 HB2 PRO A 55 0.947 -2.473 9.897 1.00 0.00 H new ATOM 0 HB3 PRO A 55 1.833 -1.279 10.825 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.443 -3.038 11.683 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.987 -2.565 12.580 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.497 -1.383 12.917 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.014 -0.595 13.324 1.00 0.00 H new ATOM 468 N THR A 56 -1.086 -0.742 7.936 1.00 0.00 N ATOM 469 CA THR A 56 -2.067 -1.160 6.952 1.00 0.00 C ATOM 470 C THR A 56 -1.427 -1.962 5.828 1.00 0.00 C ATOM 471 O THR A 56 -0.764 -1.409 4.950 1.00 0.00 O ATOM 472 CB THR A 56 -2.812 0.046 6.358 1.00 0.00 C ATOM 473 OG1 THR A 56 -1.873 1.008 5.864 1.00 0.00 O ATOM 474 CG2 THR A 56 -3.710 0.696 7.400 1.00 0.00 C ATOM 0 H THR A 56 -0.370 -0.108 7.581 1.00 0.00 H new ATOM 0 HA THR A 56 -2.781 -1.797 7.474 1.00 0.00 H new ATOM 0 HB THR A 56 -3.434 -0.309 5.537 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.157 0.547 5.379 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.226 1.547 6.956 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.443 -0.030 7.752 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.105 1.037 8.240 1.00 0.00 H new ATOM 482 N SER A 57 -1.619 -3.267 5.872 1.00 0.00 N ATOM 483 CA SER A 57 -1.118 -4.149 4.834 1.00 0.00 C ATOM 484 C SER A 57 -2.158 -4.291 3.723 1.00 0.00 C ATOM 485 O SER A 57 -1.826 -4.390 2.544 1.00 0.00 O ATOM 486 CB SER A 57 -0.782 -5.519 5.438 1.00 0.00 C ATOM 487 OG SER A 57 -0.171 -6.371 4.486 1.00 0.00 O ATOM 0 H SER A 57 -2.122 -3.743 6.621 1.00 0.00 H new ATOM 0 HA SER A 57 -0.211 -3.724 4.404 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.116 -5.388 6.291 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.693 -5.985 5.813 1.00 0.00 H new ATOM 0 HG SER A 57 0.032 -7.235 4.902 1.00 0.00 H new ATOM 493 N ASN A 58 -3.422 -4.277 4.095 1.00 0.00 N ATOM 494 CA ASN A 58 -4.484 -4.473 3.132 1.00 0.00 C ATOM 495 C ASN A 58 -5.141 -3.146 2.801 1.00 0.00 C ATOM 496 O ASN A 58 -5.068 -2.194 3.581 1.00 0.00 O ATOM 497 CB ASN A 58 -5.536 -5.427 3.697 1.00 0.00 C ATOM 498 CG ASN A 58 -4.989 -6.801 4.024 1.00 0.00 C ATOM 499 OD1 ASN A 58 -3.810 -6.973 4.325 1.00 0.00 O ATOM 500 ND2 ASN A 58 -5.857 -7.789 3.990 1.00 0.00 N ATOM 0 H ASN A 58 -3.737 -4.132 5.054 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.055 -4.901 2.226 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.964 -4.990 4.599 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.347 -5.529 2.976 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.559 -8.737 4.218 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.828 -7.607 3.735 1.00 0.00 H new ATOM 507 N LEU A 59 -5.796 -3.088 1.657 1.00 0.00 N ATOM 508 CA LEU A 59 -6.543 -1.915 1.272 1.00 0.00 C ATOM 509 C LEU A 59 -7.763 -1.756 2.173 1.00 0.00 C ATOM 510 O LEU A 59 -8.171 -0.645 2.502 1.00 0.00 O ATOM 511 CB LEU A 59 -6.960 -2.041 -0.190 1.00 0.00 C ATOM 512 CG LEU A 59 -5.811 -1.969 -1.204 1.00 0.00 C ATOM 513 CD1 LEU A 59 -6.325 -2.188 -2.619 1.00 0.00 C ATOM 514 CD2 LEU A 59 -5.101 -0.624 -1.104 1.00 0.00 C ATOM 0 H LEU A 59 -5.823 -3.847 0.977 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.920 -1.028 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.482 -2.989 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.674 -1.250 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.100 -2.761 -0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.493 -2.133 -3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.793 -3.170 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.058 -1.419 -2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.288 -0.587 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.810 0.178 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.697 -0.500 -0.099 1.00 0.00 H new ATOM 526 N THR A 60 -8.324 -2.886 2.586 1.00 0.00 N ATOM 527 CA THR A 60 -9.461 -2.899 3.491 1.00 0.00 C ATOM 528 C THR A 60 -9.075 -2.355 4.867 1.00 0.00 C ATOM 529 O THR A 60 -9.821 -1.586 5.470 1.00 0.00 O ATOM 530 CB THR A 60 -10.006 -4.327 3.647 1.00 0.00 C ATOM 531 OG1 THR A 60 -9.888 -5.019 2.396 1.00 0.00 O ATOM 532 CG2 THR A 60 -11.465 -4.305 4.084 1.00 0.00 C ATOM 0 H THR A 60 -8.004 -3.813 2.304 1.00 0.00 H new ATOM 0 HA THR A 60 -10.232 -2.259 3.062 1.00 0.00 H new ATOM 0 HB THR A 60 -9.425 -4.842 4.413 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.233 -5.931 2.493 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.829 -5.327 4.188 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.550 -3.790 5.041 1.00 0.00 H new ATOM 0 HG23 THR A 60 -12.061 -3.782 3.336 1.00 0.00 H new ATOM 540 N THR A 61 -7.897 -2.746 5.355 1.00 0.00 N ATOM 541 CA THR A 61 -7.419 -2.271 6.647 1.00 0.00 C ATOM 542 C THR A 61 -7.100 -0.778 6.585 1.00 0.00 C ATOM 543 O THR A 61 -7.209 -0.069 7.583 1.00 0.00 O ATOM 544 CB THR A 61 -6.179 -3.060 7.120 1.00 0.00 C ATOM 545 OG1 THR A 61 -5.220 -3.161 6.058 1.00 0.00 O ATOM 546 CG2 THR A 61 -6.568 -4.456 7.589 1.00 0.00 C ATOM 0 H THR A 61 -7.263 -3.386 4.877 1.00 0.00 H new ATOM 0 HA THR A 61 -8.217 -2.434 7.371 1.00 0.00 H new ATOM 0 HB THR A 61 -5.737 -2.520 7.958 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.487 -2.575 5.319 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.677 -4.991 7.917 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.271 -4.378 8.419 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.035 -4.999 6.767 1.00 0.00 H new ATOM 554 N TYR A 62 -6.729 -0.309 5.397 1.00 0.00 N ATOM 555 CA TYR A 62 -6.476 1.107 5.173 1.00 0.00 C ATOM 556 C TYR A 62 -7.786 1.879 5.301 1.00 0.00 C ATOM 557 O TYR A 62 -7.831 2.974 5.860 1.00 0.00 O ATOM 558 CB TYR A 62 -5.862 1.309 3.784 1.00 0.00 C ATOM 559 CG TYR A 62 -5.329 2.701 3.525 1.00 0.00 C ATOM 560 CD1 TYR A 62 -4.010 3.025 3.821 1.00 0.00 C ATOM 561 CD2 TYR A 62 -6.139 3.687 2.974 1.00 0.00 C ATOM 562 CE1 TYR A 62 -3.513 4.290 3.573 1.00 0.00 C ATOM 563 CE2 TYR A 62 -5.651 4.953 2.725 1.00 0.00 C ATOM 564 CZ TYR A 62 -4.337 5.251 3.025 1.00 0.00 C ATOM 565 OH TYR A 62 -3.850 6.514 2.777 1.00 0.00 O ATOM 0 H TYR A 62 -6.597 -0.894 4.572 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.773 1.480 5.918 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -5.050 0.594 3.653 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.616 1.077 3.031 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.363 2.275 4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.167 3.458 2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.485 4.525 3.807 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.294 5.708 2.297 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.466 6.991 2.183 1.00 0.00 H new ATOM 575 N SER A 63 -8.852 1.271 4.801 1.00 0.00 N ATOM 576 CA SER A 63 -10.180 1.858 4.857 1.00 0.00 C ATOM 577 C SER A 63 -10.667 1.959 6.301 1.00 0.00 C ATOM 578 O SER A 63 -11.135 3.012 6.738 1.00 0.00 O ATOM 579 CB SER A 63 -11.151 1.012 4.026 1.00 0.00 C ATOM 580 OG SER A 63 -12.416 1.640 3.895 1.00 0.00 O ATOM 0 H SER A 63 -8.819 0.359 4.346 1.00 0.00 H new ATOM 0 HA SER A 63 -10.136 2.866 4.444 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.727 0.838 3.037 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.276 0.036 4.495 1.00 0.00 H new ATOM 0 HG SER A 63 -13.008 1.073 3.358 1.00 0.00 H new ATOM 586 N ALA A 64 -10.536 0.865 7.043 1.00 0.00 N ATOM 587 CA ALA A 64 -11.005 0.814 8.422 1.00 0.00 C ATOM 588 C ALA A 64 -10.257 1.809 9.299 1.00 0.00 C ATOM 589 O ALA A 64 -10.823 2.374 10.237 1.00 0.00 O ATOM 590 CB ALA A 64 -10.860 -0.595 8.975 1.00 0.00 C ATOM 0 H ALA A 64 -10.108 0.000 6.712 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.059 1.090 8.430 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.214 -0.620 10.006 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.450 -1.285 8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.812 -0.892 8.944 1.00 0.00 H new ATOM 596 N ALA A 65 -8.989 2.035 8.978 1.00 0.00 N ATOM 597 CA ALA A 65 -8.169 2.971 9.733 1.00 0.00 C ATOM 598 C ALA A 65 -8.580 4.402 9.423 1.00 0.00 C ATOM 599 O ALA A 65 -8.718 5.232 10.322 1.00 0.00 O ATOM 600 CB ALA A 65 -6.697 2.757 9.416 1.00 0.00 C ATOM 0 H ALA A 65 -8.508 1.583 8.201 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.322 2.791 10.797 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.095 3.464 9.988 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.412 1.739 9.682 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.528 2.915 8.351 1.00 0.00 H new ATOM 606 N LEU A 66 -8.793 4.676 8.138 1.00 0.00 N ATOM 607 CA LEU A 66 -9.184 6.000 7.672 1.00 0.00 C ATOM 608 C LEU A 66 -10.467 6.451 8.361 1.00 0.00 C ATOM 609 O LEU A 66 -10.564 7.574 8.850 1.00 0.00 O ATOM 610 CB LEU A 66 -9.387 5.951 6.154 1.00 0.00 C ATOM 611 CG LEU A 66 -9.159 7.265 5.402 1.00 0.00 C ATOM 612 CD1 LEU A 66 -9.010 6.997 3.912 1.00 0.00 C ATOM 613 CD2 LEU A 66 -10.304 8.239 5.642 1.00 0.00 C ATOM 0 H LEU A 66 -8.699 3.986 7.393 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.400 6.717 7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.715 5.199 5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.404 5.613 5.954 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.241 7.716 5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.848 7.939 3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.159 6.337 3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.916 6.523 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.116 9.163 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.237 7.796 5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.380 8.456 6.708 1.00 0.00 H new ATOM 625 N LYS A 67 -11.435 5.550 8.415 1.00 0.00 N ATOM 626 CA LYS A 67 -12.738 5.839 9.007 1.00 0.00 C ATOM 627 C LYS A 67 -12.627 6.242 10.478 1.00 0.00 C ATOM 628 O LYS A 67 -13.481 6.962 10.993 1.00 0.00 O ATOM 629 CB LYS A 67 -13.655 4.625 8.877 1.00 0.00 C ATOM 630 CG LYS A 67 -13.959 4.242 7.439 1.00 0.00 C ATOM 631 CD LYS A 67 -14.774 2.962 7.363 1.00 0.00 C ATOM 632 CE LYS A 67 -15.044 2.560 5.923 1.00 0.00 C ATOM 633 NZ LYS A 67 -15.820 1.297 5.844 1.00 0.00 N ATOM 0 H LYS A 67 -11.344 4.601 8.052 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.160 6.683 8.462 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.193 3.776 9.380 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.592 4.831 9.395 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.505 5.051 6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.026 4.113 6.891 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.241 2.159 7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.720 3.100 7.887 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.592 3.356 5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.098 2.440 5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.986 1.053 4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.286 0.532 6.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.733 1.420 6.327 1.00 0.00 H new ATOM 647 N THR A 68 -11.585 5.778 11.157 1.00 0.00 N ATOM 648 CA THR A 68 -11.432 6.068 12.577 1.00 0.00 C ATOM 649 C THR A 68 -10.658 7.365 12.818 1.00 0.00 C ATOM 650 O THR A 68 -10.660 7.901 13.930 1.00 0.00 O ATOM 651 CB THR A 68 -10.754 4.905 13.333 1.00 0.00 C ATOM 652 OG1 THR A 68 -9.499 4.561 12.731 1.00 0.00 O ATOM 653 CG2 THR A 68 -11.656 3.681 13.354 1.00 0.00 C ATOM 0 H THR A 68 -10.842 5.207 10.754 1.00 0.00 H new ATOM 0 HA THR A 68 -12.441 6.193 12.970 1.00 0.00 H new ATOM 0 HB THR A 68 -10.575 5.238 14.355 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.315 5.171 11.987 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.160 2.873 13.891 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.593 3.928 13.854 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.863 3.364 12.332 1.00 0.00 H new ATOM 661 N ILE A 69 -10.002 7.875 11.781 1.00 0.00 N ATOM 662 CA ILE A 69 -9.239 9.113 11.903 1.00 0.00 C ATOM 663 C ILE A 69 -10.191 10.308 11.955 1.00 0.00 C ATOM 664 O ILE A 69 -11.227 10.314 11.292 1.00 0.00 O ATOM 665 CB ILE A 69 -8.241 9.292 10.733 1.00 0.00 C ATOM 666 CG1 ILE A 69 -7.365 8.043 10.571 1.00 0.00 C ATOM 667 CG2 ILE A 69 -7.364 10.519 10.956 1.00 0.00 C ATOM 668 CD1 ILE A 69 -6.550 7.690 11.804 1.00 0.00 C ATOM 0 H ILE A 69 -9.983 7.454 10.852 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.664 9.057 12.827 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.817 9.435 9.819 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.002 7.196 10.316 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.686 8.195 9.732 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.670 10.626 10.122 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.992 11.408 11.022 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.802 10.401 11.883 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.959 6.796 11.606 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.884 8.518 12.049 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.221 7.503 12.642 1.00 0.00 H new ATOM 680 N SER A 70 -9.854 11.305 12.760 1.00 0.00 N ATOM 681 CA SER A 70 -10.709 12.471 12.914 1.00 0.00 C ATOM 682 C SER A 70 -10.302 13.583 11.947 1.00 0.00 C ATOM 683 O SER A 70 -9.165 13.619 11.473 1.00 0.00 O ATOM 684 CB SER A 70 -10.628 12.976 14.351 1.00 0.00 C ATOM 685 OG SER A 70 -10.718 11.902 15.272 1.00 0.00 O ATOM 0 H SER A 70 -8.998 11.330 13.314 1.00 0.00 H new ATOM 0 HA SER A 70 -11.734 12.181 12.684 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.690 13.510 14.500 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.433 13.687 14.536 1.00 0.00 H new ATOM 0 HG SER A 70 -9.884 11.388 15.258 1.00 0.00 H new ATOM 691 N VAL A 71 -11.236 14.482 11.657 1.00 0.00 N ATOM 692 CA VAL A 71 -10.967 15.632 10.796 1.00 0.00 C ATOM 693 C VAL A 71 -10.051 16.622 11.513 1.00 0.00 C ATOM 694 O VAL A 71 -10.297 16.979 12.663 1.00 0.00 O ATOM 695 CB VAL A 71 -12.275 16.357 10.398 1.00 0.00 C ATOM 696 CG1 VAL A 71 -11.989 17.563 9.517 1.00 0.00 C ATOM 697 CG2 VAL A 71 -13.229 15.400 9.699 1.00 0.00 C ATOM 0 H VAL A 71 -12.193 14.437 12.007 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.483 15.260 9.893 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.750 16.713 11.312 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.927 18.052 9.254 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.353 18.265 10.056 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.482 17.238 8.609 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.142 15.930 9.428 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.756 15.008 8.799 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.473 14.576 10.369 1.00 0.00 H new ATOM 707 N GLY A 72 -8.981 17.039 10.845 1.00 0.00 N ATOM 708 CA GLY A 72 -8.057 17.984 11.445 1.00 0.00 C ATOM 709 C GLY A 72 -7.109 17.302 12.407 1.00 0.00 C ATOM 710 O GLY A 72 -6.375 17.957 13.153 1.00 0.00 O ATOM 0 H GLY A 72 -8.737 16.740 9.901 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.485 18.482 10.662 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.617 18.757 11.972 1.00 0.00 H new ATOM 714 N GLU A 73 -7.129 15.980 12.386 1.00 0.00 N ATOM 715 CA GLU A 73 -6.282 15.180 13.254 1.00 0.00 C ATOM 716 C GLU A 73 -4.986 14.842 12.524 1.00 0.00 C ATOM 717 O GLU A 73 -4.964 14.742 11.292 1.00 0.00 O ATOM 718 CB GLU A 73 -7.037 13.918 13.672 1.00 0.00 C ATOM 719 CG GLU A 73 -6.426 13.155 14.834 1.00 0.00 C ATOM 720 CD GLU A 73 -7.414 12.183 15.451 1.00 0.00 C ATOM 721 OE1 GLU A 73 -7.793 11.200 14.779 1.00 0.00 O ATOM 722 OE2 GLU A 73 -7.846 12.417 16.601 1.00 0.00 O ATOM 0 H GLU A 73 -7.730 15.433 11.770 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.027 15.737 14.155 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.057 14.195 13.936 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.100 13.250 12.813 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.547 12.610 14.489 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.087 13.860 15.593 1.00 0.00 H new ATOM 729 N VAL A 74 -3.908 14.695 13.275 1.00 0.00 N ATOM 730 CA VAL A 74 -2.603 14.462 12.687 1.00 0.00 C ATOM 731 C VAL A 74 -2.191 13.008 12.859 1.00 0.00 C ATOM 732 O VAL A 74 -2.156 12.479 13.971 1.00 0.00 O ATOM 733 CB VAL A 74 -1.523 15.376 13.306 1.00 0.00 C ATOM 734 CG1 VAL A 74 -0.187 15.176 12.608 1.00 0.00 C ATOM 735 CG2 VAL A 74 -1.953 16.832 13.233 1.00 0.00 C ATOM 0 H VAL A 74 -3.912 14.733 14.294 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.684 14.697 11.626 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.403 15.105 14.355 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.560 15.829 13.059 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.127 14.138 12.714 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.289 15.418 11.550 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.180 17.462 13.674 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.102 17.116 12.191 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.885 16.964 13.782 1.00 0.00 H new ATOM 745 N ILE A 75 -1.890 12.359 11.751 1.00 0.00 N ATOM 746 CA ILE A 75 -1.467 10.977 11.781 1.00 0.00 C ATOM 747 C ILE A 75 0.006 10.846 11.418 1.00 0.00 C ATOM 748 O ILE A 75 0.567 11.684 10.709 1.00 0.00 O ATOM 749 CB ILE A 75 -2.320 10.098 10.845 1.00 0.00 C ATOM 750 CG1 ILE A 75 -2.433 10.739 9.455 1.00 0.00 C ATOM 751 CG2 ILE A 75 -3.689 9.875 11.468 1.00 0.00 C ATOM 752 CD1 ILE A 75 -3.203 9.903 8.455 1.00 0.00 C ATOM 0 H ILE A 75 -1.931 12.770 10.818 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.610 10.624 12.802 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.836 9.130 10.717 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.918 11.710 9.552 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.431 10.921 9.067 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.293 9.254 10.807 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.574 9.376 12.430 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.183 10.836 11.614 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.239 10.423 7.498 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.707 8.941 8.327 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.218 9.743 8.819 1.00 0.00 H new ATOM 764 N ASN A 76 0.615 9.786 11.909 1.00 0.00 N ATOM 765 CA ASN A 76 2.028 9.534 11.700 1.00 0.00 C ATOM 766 C ASN A 76 2.206 8.412 10.683 1.00 0.00 C ATOM 767 O ASN A 76 1.891 7.260 10.962 1.00 0.00 O ATOM 768 CB ASN A 76 2.674 9.168 13.039 1.00 0.00 C ATOM 769 CG ASN A 76 4.117 8.748 12.907 1.00 0.00 C ATOM 770 OD1 ASN A 76 5.027 9.576 12.967 1.00 0.00 O ATOM 771 ND2 ASN A 76 4.336 7.456 12.747 1.00 0.00 N ATOM 0 H ASN A 76 0.144 9.073 12.466 1.00 0.00 H new ATOM 0 HA ASN A 76 2.514 10.428 11.308 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.611 10.024 13.711 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.107 8.359 13.499 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.291 7.107 12.667 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.550 6.807 12.703 1.00 0.00 H new ATOM 778 N ILE A 77 2.697 8.758 9.508 1.00 0.00 N ATOM 779 CA ILE A 77 2.798 7.808 8.407 1.00 0.00 C ATOM 780 C ILE A 77 4.243 7.378 8.188 1.00 0.00 C ATOM 781 O ILE A 77 5.121 8.198 7.908 1.00 0.00 O ATOM 782 CB ILE A 77 2.233 8.407 7.098 1.00 0.00 C ATOM 783 CG1 ILE A 77 0.782 8.851 7.307 1.00 0.00 C ATOM 784 CG2 ILE A 77 2.324 7.393 5.962 1.00 0.00 C ATOM 785 CD1 ILE A 77 0.170 9.521 6.098 1.00 0.00 C ATOM 0 H ILE A 77 3.035 9.695 9.287 1.00 0.00 H new ATOM 0 HA ILE A 77 2.205 6.935 8.678 1.00 0.00 H new ATOM 0 HB ILE A 77 2.830 9.278 6.826 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.180 7.982 7.573 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.740 9.538 8.152 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.922 7.832 5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.366 7.117 5.803 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.749 6.504 6.221 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.858 9.807 6.322 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.747 10.410 5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.179 8.830 5.255 1.00 0.00 H new ATOM 797 N THR A 78 4.475 6.085 8.332 1.00 0.00 N ATOM 798 CA THR A 78 5.783 5.501 8.115 1.00 0.00 C ATOM 799 C THR A 78 5.888 4.999 6.677 1.00 0.00 C ATOM 800 O THR A 78 5.117 4.134 6.265 1.00 0.00 O ATOM 801 CB THR A 78 6.011 4.323 9.082 1.00 0.00 C ATOM 802 OG1 THR A 78 5.645 4.704 10.416 1.00 0.00 O ATOM 803 CG2 THR A 78 7.460 3.866 9.056 1.00 0.00 C ATOM 0 H THR A 78 3.759 5.411 8.603 1.00 0.00 H new ATOM 0 HA THR A 78 6.541 6.263 8.297 1.00 0.00 H new ATOM 0 HB THR A 78 5.384 3.493 8.757 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.965 4.086 10.758 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.592 3.034 9.748 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.722 3.545 8.048 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.107 4.691 9.354 1.00 0.00 H new ATOM 811 N THR A 79 6.817 5.547 5.908 1.00 0.00 N ATOM 812 CA THR A 79 6.991 5.132 4.524 1.00 0.00 C ATOM 813 C THR A 79 8.392 4.591 4.285 1.00 0.00 C ATOM 814 O THR A 79 9.230 4.588 5.188 1.00 0.00 O ATOM 815 CB THR A 79 6.727 6.289 3.537 1.00 0.00 C ATOM 816 OG1 THR A 79 7.547 7.421 3.859 1.00 0.00 O ATOM 817 CG2 THR A 79 5.263 6.692 3.544 1.00 0.00 C ATOM 0 H THR A 79 7.459 6.277 6.217 1.00 0.00 H new ATOM 0 HA THR A 79 6.259 4.344 4.345 1.00 0.00 H new ATOM 0 HB THR A 79 6.982 5.938 2.537 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.011 7.258 4.707 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.107 7.509 2.839 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.650 5.839 3.253 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.980 7.017 4.545 1.00 0.00 H new ATOM 825 N ASP A 80 8.634 4.151 3.060 1.00 0.00 N ATOM 826 CA ASP A 80 9.934 3.623 2.653 1.00 0.00 C ATOM 827 C ASP A 80 11.039 4.656 2.849 1.00 0.00 C ATOM 828 O ASP A 80 12.168 4.320 3.204 1.00 0.00 O ATOM 829 CB ASP A 80 9.878 3.217 1.183 1.00 0.00 C ATOM 830 CG ASP A 80 11.135 2.512 0.717 1.00 0.00 C ATOM 831 OD1 ASP A 80 11.322 1.327 1.062 1.00 0.00 O ATOM 832 OD2 ASP A 80 11.930 3.133 -0.014 1.00 0.00 O ATOM 0 H ASP A 80 7.936 4.148 2.316 1.00 0.00 H new ATOM 0 HA ASP A 80 10.160 2.758 3.276 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.021 2.563 1.025 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.718 4.105 0.572 1.00 0.00 H new ATOM 837 N GLN A 81 10.701 5.922 2.633 1.00 0.00 N ATOM 838 CA GLN A 81 11.682 6.992 2.705 1.00 0.00 C ATOM 839 C GLN A 81 11.681 7.680 4.064 1.00 0.00 C ATOM 840 O GLN A 81 12.258 8.754 4.221 1.00 0.00 O ATOM 841 CB GLN A 81 11.437 8.015 1.593 1.00 0.00 C ATOM 842 CG GLN A 81 11.848 7.525 0.212 1.00 0.00 C ATOM 843 CD GLN A 81 13.326 7.190 0.127 1.00 0.00 C ATOM 844 OE1 GLN A 81 13.745 6.356 -0.673 1.00 0.00 O ATOM 845 NE2 GLN A 81 14.122 7.831 0.965 1.00 0.00 N ATOM 0 H GLN A 81 9.755 6.230 2.407 1.00 0.00 H new ATOM 0 HA GLN A 81 12.665 6.541 2.568 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.379 8.275 1.577 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.986 8.928 1.824 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.264 6.641 -0.045 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.610 8.290 -0.527 1.00 0.00 H new ATOM 0 HE21 GLN A 81 13.734 8.516 1.614 1.00 0.00 H new ATOM 0 HE22 GLN A 81 15.124 7.641 0.963 1.00 0.00 H new ATOM 854 N GLY A 82 11.047 7.062 5.042 1.00 0.00 N ATOM 855 CA GLY A 82 11.068 7.609 6.384 1.00 0.00 C ATOM 856 C GLY A 82 9.682 7.861 6.931 1.00 0.00 C ATOM 857 O GLY A 82 8.688 7.476 6.318 1.00 0.00 O ATOM 0 H GLY A 82 10.520 6.195 4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.596 6.921 7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.629 8.543 6.383 1.00 0.00 H new ATOM 861 N THR A 83 9.614 8.519 8.077 1.00 0.00 N ATOM 862 CA THR A 83 8.350 8.766 8.741 1.00 0.00 C ATOM 863 C THR A 83 8.011 10.255 8.721 1.00 0.00 C ATOM 864 O THR A 83 8.883 11.102 8.918 1.00 0.00 O ATOM 865 CB THR A 83 8.393 8.278 10.203 1.00 0.00 C ATOM 866 OG1 THR A 83 8.868 6.924 10.262 1.00 0.00 O ATOM 867 CG2 THR A 83 7.017 8.354 10.838 1.00 0.00 C ATOM 0 H THR A 83 10.427 8.893 8.567 1.00 0.00 H new ATOM 0 HA THR A 83 7.582 8.213 8.201 1.00 0.00 H new ATOM 0 HB THR A 83 9.074 8.927 10.754 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.892 6.626 11.195 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.072 8.005 11.869 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.666 9.386 10.823 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.323 7.726 10.279 1.00 0.00 H new ATOM 875 N PHE A 84 6.752 10.570 8.465 1.00 0.00 N ATOM 876 CA PHE A 84 6.291 11.948 8.515 1.00 0.00 C ATOM 877 C PHE A 84 4.926 12.039 9.164 1.00 0.00 C ATOM 878 O PHE A 84 4.253 11.033 9.384 1.00 0.00 O ATOM 879 CB PHE A 84 6.240 12.587 7.127 1.00 0.00 C ATOM 880 CG PHE A 84 5.665 11.704 6.055 1.00 0.00 C ATOM 881 CD1 PHE A 84 4.294 11.576 5.903 1.00 0.00 C ATOM 882 CD2 PHE A 84 6.498 11.007 5.198 1.00 0.00 C ATOM 883 CE1 PHE A 84 3.767 10.768 4.915 1.00 0.00 C ATOM 884 CE2 PHE A 84 5.978 10.199 4.210 1.00 0.00 C ATOM 885 CZ PHE A 84 4.610 10.076 4.070 1.00 0.00 C ATOM 0 H PHE A 84 6.031 9.891 8.221 1.00 0.00 H new ATOM 0 HA PHE A 84 7.015 12.498 9.117 1.00 0.00 H new ATOM 0 HB2 PHE A 84 5.649 13.501 7.183 1.00 0.00 H new ATOM 0 HB3 PHE A 84 7.250 12.878 6.838 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.630 12.114 6.564 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.569 11.097 5.305 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.697 10.678 4.804 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.640 9.663 3.546 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.200 9.439 3.300 1.00 0.00 H new ATOM 895 N HIS A 85 4.529 13.256 9.461 1.00 0.00 N ATOM 896 CA HIS A 85 3.231 13.515 10.050 1.00 0.00 C ATOM 897 C HIS A 85 2.331 14.208 9.041 1.00 0.00 C ATOM 898 O HIS A 85 2.769 15.096 8.312 1.00 0.00 O ATOM 899 CB HIS A 85 3.363 14.352 11.333 1.00 0.00 C ATOM 900 CG HIS A 85 3.896 15.752 11.142 1.00 0.00 C ATOM 901 ND1 HIS A 85 3.442 16.830 11.870 1.00 0.00 N ATOM 902 CD2 HIS A 85 4.844 16.243 10.307 1.00 0.00 C ATOM 903 CE1 HIS A 85 4.081 17.920 11.491 1.00 0.00 C ATOM 904 NE2 HIS A 85 4.937 17.592 10.543 1.00 0.00 N ATOM 0 H HIS A 85 5.092 14.091 9.303 1.00 0.00 H new ATOM 0 HA HIS A 85 2.779 12.562 10.324 1.00 0.00 H new ATOM 0 HB2 HIS A 85 2.384 14.416 11.807 1.00 0.00 H new ATOM 0 HB3 HIS A 85 4.018 13.823 12.025 1.00 0.00 H new ATOM 0 HD2 HIS A 85 5.420 15.678 9.589 1.00 0.00 H new ATOM 0 HE1 HIS A 85 3.929 18.912 11.889 1.00 0.00 H new ATOM 0 HE2 HIS A 85 5.566 18.236 10.063 1.00 0.00 H new ATOM 913 N LEU A 86 1.081 13.796 8.997 1.00 0.00 N ATOM 914 CA LEU A 86 0.140 14.348 8.042 1.00 0.00 C ATOM 915 C LEU A 86 -1.136 14.769 8.750 1.00 0.00 C ATOM 916 O LEU A 86 -1.574 14.111 9.692 1.00 0.00 O ATOM 917 CB LEU A 86 -0.181 13.323 6.955 1.00 0.00 C ATOM 918 CG LEU A 86 -0.837 13.902 5.703 1.00 0.00 C ATOM 919 CD1 LEU A 86 0.084 14.916 5.048 1.00 0.00 C ATOM 920 CD2 LEU A 86 -1.191 12.796 4.726 1.00 0.00 C ATOM 0 H LEU A 86 0.692 13.081 9.611 1.00 0.00 H new ATOM 0 HA LEU A 86 0.593 15.222 7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.742 12.820 6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.840 12.563 7.375 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.758 14.407 5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.396 15.321 4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.291 15.725 5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.019 14.431 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.657 13.228 3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.285 12.263 4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.885 12.101 5.199 1.00 0.00 H new ATOM 932 N LYS A 87 -1.726 15.857 8.294 1.00 0.00 N ATOM 933 CA LYS A 87 -2.932 16.378 8.914 1.00 0.00 C ATOM 934 C LYS A 87 -4.101 16.274 7.950 1.00 0.00 C ATOM 935 O LYS A 87 -4.032 16.768 6.822 1.00 0.00 O ATOM 936 CB LYS A 87 -2.736 17.834 9.339 1.00 0.00 C ATOM 937 CG LYS A 87 -3.820 18.347 10.278 1.00 0.00 C ATOM 938 CD LYS A 87 -3.639 19.823 10.592 1.00 0.00 C ATOM 939 CE LYS A 87 -4.059 20.699 9.424 1.00 0.00 C ATOM 940 NZ LYS A 87 -5.527 20.632 9.186 1.00 0.00 N ATOM 0 H LYS A 87 -1.391 16.398 7.497 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.146 15.783 9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.767 17.934 9.828 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.710 18.463 8.449 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.799 18.189 9.825 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.801 17.773 11.204 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.227 20.083 11.472 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.595 20.018 10.837 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.769 21.731 9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.530 20.385 8.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.822 21.444 8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.758 19.749 8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.028 20.655 10.097 1.00 0.00 H new ATOM 954 N THR A 88 -5.164 15.634 8.398 1.00 0.00 N ATOM 955 CA THR A 88 -6.346 15.435 7.573 1.00 0.00 C ATOM 956 C THR A 88 -7.143 16.731 7.419 1.00 0.00 C ATOM 957 O THR A 88 -7.150 17.583 8.315 1.00 0.00 O ATOM 958 CB THR A 88 -7.247 14.349 8.183 1.00 0.00 C ATOM 959 OG1 THR A 88 -7.636 14.724 9.511 1.00 0.00 O ATOM 960 CG2 THR A 88 -6.522 13.014 8.223 1.00 0.00 C ATOM 0 H THR A 88 -5.236 15.239 9.336 1.00 0.00 H new ATOM 0 HA THR A 88 -6.009 15.117 6.586 1.00 0.00 H new ATOM 0 HB THR A 88 -8.135 14.249 7.559 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.185 14.014 9.904 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.176 12.258 8.658 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.248 12.718 7.210 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.621 13.107 8.830 1.00 0.00 H new ATOM 968 N GLY A 89 -7.790 16.885 6.271 1.00 0.00 N ATOM 969 CA GLY A 89 -8.662 18.016 6.058 1.00 0.00 C ATOM 970 C GLY A 89 -10.108 17.631 6.270 1.00 0.00 C ATOM 971 O GLY A 89 -10.396 16.520 6.714 1.00 0.00 O ATOM 0 H GLY A 89 -7.724 16.242 5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.392 18.822 6.741 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -8.528 18.398 5.046 1.00 0.00 H new ATOM 1101 N ALA A 98 -11.731 13.017 7.482 1.00 0.00 N ATOM 1102 CA ALA A 98 -10.281 12.899 7.593 1.00 0.00 C ATOM 1103 C ALA A 98 -9.709 12.311 6.310 1.00 0.00 C ATOM 1104 O ALA A 98 -9.203 11.190 6.290 1.00 0.00 O ATOM 1105 CB ALA A 98 -9.896 12.047 8.790 1.00 0.00 C ATOM 0 HA ALA A 98 -9.862 13.894 7.743 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.810 11.974 8.851 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.281 12.505 9.701 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.321 11.049 8.678 1.00 0.00 H new ATOM 1111 N TYR A 99 -9.788 13.080 5.238 1.00 0.00 N ATOM 1112 CA TYR A 99 -9.538 12.548 3.919 1.00 0.00 C ATOM 1113 C TYR A 99 -8.060 12.588 3.554 1.00 0.00 C ATOM 1114 O TYR A 99 -7.318 13.479 3.980 1.00 0.00 O ATOM 1115 CB TYR A 99 -10.365 13.313 2.884 1.00 0.00 C ATOM 1116 CG TYR A 99 -9.853 14.700 2.555 1.00 0.00 C ATOM 1117 CD1 TYR A 99 -10.262 15.806 3.282 1.00 0.00 C ATOM 1118 CD2 TYR A 99 -8.967 14.902 1.502 1.00 0.00 C ATOM 1119 CE1 TYR A 99 -9.800 17.071 2.977 1.00 0.00 C ATOM 1120 CE2 TYR A 99 -8.503 16.165 1.193 1.00 0.00 C ATOM 1121 CZ TYR A 99 -8.925 17.246 1.931 1.00 0.00 C ATOM 1122 OH TYR A 99 -8.466 18.507 1.624 1.00 0.00 O ATOM 0 H TYR A 99 -10.023 14.072 5.260 1.00 0.00 H new ATOM 0 HA TYR A 99 -9.839 11.500 3.922 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -10.401 12.728 1.965 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -11.389 13.397 3.249 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -10.954 15.677 4.101 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -8.637 14.057 0.916 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -10.125 17.921 3.559 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -7.811 16.304 0.375 1.00 0.00 H new ATOM 0 HH TYR A 99 -8.436 19.051 2.438 1.00 0.00 H new ATOM 1132 N MET A 100 -7.653 11.613 2.754 1.00 0.00 N ATOM 1133 CA MET A 100 -6.300 11.552 2.226 1.00 0.00 C ATOM 1134 C MET A 100 -6.284 12.119 0.814 1.00 0.00 C ATOM 1135 O MET A 100 -7.053 11.680 -0.045 1.00 0.00 O ATOM 1136 CB MET A 100 -5.802 10.103 2.214 1.00 0.00 C ATOM 1137 CG MET A 100 -5.720 9.470 3.595 1.00 0.00 C ATOM 1138 SD MET A 100 -4.434 10.197 4.626 1.00 0.00 S ATOM 1139 CE MET A 100 -2.962 9.722 3.720 1.00 0.00 C ATOM 0 H MET A 100 -8.251 10.843 2.454 1.00 0.00 H new ATOM 0 HA MET A 100 -5.639 12.142 2.862 1.00 0.00 H new ATOM 0 HB2 MET A 100 -6.466 9.506 1.590 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.816 10.072 1.751 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.683 9.576 4.095 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.532 8.402 3.489 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.232 9.297 4.409 1.00 0.00 H new ATOM 0 HE2 MET A 100 -3.223 8.980 2.965 1.00 0.00 H new ATOM 0 HE3 MET A 100 -2.535 10.599 3.234 1.00 0.00 H new ATOM 1149 N GLY A 101 -5.408 13.084 0.573 1.00 0.00 N ATOM 1150 CA GLY A 101 -5.355 13.736 -0.722 1.00 0.00 C ATOM 1151 C GLY A 101 -4.467 13.009 -1.709 1.00 0.00 C ATOM 1152 O GLY A 101 -3.798 13.633 -2.534 1.00 0.00 O ATOM 0 H GLY A 101 -4.730 13.429 1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.363 13.806 -1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.991 14.756 -0.596 1.00 0.00 H new ATOM 1156 N ILE A 102 -4.460 11.688 -1.624 1.00 0.00 N ATOM 1157 CA ILE A 102 -3.659 10.866 -2.514 1.00 0.00 C ATOM 1158 C ILE A 102 -4.431 9.623 -2.927 1.00 0.00 C ATOM 1159 O ILE A 102 -5.434 9.268 -2.306 1.00 0.00 O ATOM 1160 CB ILE A 102 -2.306 10.455 -1.863 1.00 0.00 C ATOM 1161 CG1 ILE A 102 -2.506 9.826 -0.470 1.00 0.00 C ATOM 1162 CG2 ILE A 102 -1.383 11.657 -1.754 1.00 0.00 C ATOM 1163 CD1 ILE A 102 -2.988 8.391 -0.477 1.00 0.00 C ATOM 0 H ILE A 102 -5.005 11.160 -0.942 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.438 11.466 -3.397 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.852 9.704 -2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.561 9.873 0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.223 10.431 0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.442 11.353 -1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.190 12.059 -2.749 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.854 12.423 -1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.098 8.039 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.950 8.333 -0.986 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.263 7.766 -0.999 1.00 0.00 H new ATOM 1175 N ARG A 103 -3.977 8.986 -3.984 1.00 0.00 N ATOM 1176 CA ARG A 103 -4.497 7.695 -4.380 1.00 0.00 C ATOM 1177 C ARG A 103 -3.639 6.609 -3.759 1.00 0.00 C ATOM 1178 O ARG A 103 -2.423 6.763 -3.658 1.00 0.00 O ATOM 1179 CB ARG A 103 -4.495 7.555 -5.903 1.00 0.00 C ATOM 1180 CG ARG A 103 -5.550 8.390 -6.618 1.00 0.00 C ATOM 1181 CD ARG A 103 -6.938 7.780 -6.483 1.00 0.00 C ATOM 1182 NE ARG A 103 -7.484 7.897 -5.128 1.00 0.00 N ATOM 1183 CZ ARG A 103 -8.236 6.960 -4.546 1.00 0.00 C ATOM 1184 NH1 ARG A 103 -8.396 5.771 -5.120 1.00 0.00 N ATOM 1185 NH2 ARG A 103 -8.789 7.198 -3.364 1.00 0.00 N ATOM 0 H ARG A 103 -3.240 9.346 -4.591 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.526 7.601 -4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.511 7.836 -6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.646 6.506 -6.159 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -5.555 9.400 -6.207 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.292 8.477 -7.673 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.614 8.269 -7.185 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -6.895 6.727 -6.762 1.00 0.00 H new ATOM 0 HE ARG A 103 -7.277 8.744 -4.599 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.943 5.570 -6.011 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.972 5.060 -4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.639 8.095 -2.902 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -9.364 6.484 -2.917 1.00 0.00 H new ATOM 1199 N THR A 104 -4.257 5.528 -3.330 1.00 0.00 N ATOM 1200 CA THR A 104 -3.513 4.436 -2.734 1.00 0.00 C ATOM 1201 C THR A 104 -3.537 3.217 -3.647 1.00 0.00 C ATOM 1202 O THR A 104 -4.484 3.011 -4.409 1.00 0.00 O ATOM 1203 CB THR A 104 -4.094 4.049 -1.363 1.00 0.00 C ATOM 1204 OG1 THR A 104 -4.599 5.214 -0.697 1.00 0.00 O ATOM 1205 CG2 THR A 104 -3.042 3.385 -0.485 1.00 0.00 C ATOM 0 H THR A 104 -5.265 5.382 -3.382 1.00 0.00 H new ATOM 0 HA THR A 104 -2.486 4.774 -2.599 1.00 0.00 H new ATOM 0 HB THR A 104 -4.904 3.339 -1.533 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.844 4.984 0.224 1.00 0.00 H new ATOM 0 HG21 THR A 104 -3.483 3.123 0.477 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.677 2.482 -0.974 1.00 0.00 H new ATOM 0 HG23 THR A 104 -2.212 4.074 -0.328 1.00 0.00 H new ATOM 1213 N SER A 105 -2.489 2.426 -3.569 1.00 0.00 N ATOM 1214 CA SER A 105 -2.401 1.184 -4.304 1.00 0.00 C ATOM 1215 C SER A 105 -1.852 0.097 -3.386 1.00 0.00 C ATOM 1216 O SER A 105 -1.390 0.385 -2.283 1.00 0.00 O ATOM 1217 CB SER A 105 -1.532 1.359 -5.551 1.00 0.00 C ATOM 1218 OG SER A 105 -0.353 2.081 -5.260 1.00 0.00 O ATOM 0 H SER A 105 -1.672 2.627 -2.992 1.00 0.00 H new ATOM 0 HA SER A 105 -3.393 0.886 -4.642 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.271 0.381 -5.955 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.099 1.881 -6.322 1.00 0.00 H new ATOM 0 HG SER A 105 0.182 2.175 -6.075 1.00 0.00 H new ATOM 1224 N ASN A 106 -1.915 -1.145 -3.828 1.00 0.00 N ATOM 1225 CA ASN A 106 -1.569 -2.267 -2.973 1.00 0.00 C ATOM 1226 C ASN A 106 -0.297 -2.956 -3.453 1.00 0.00 C ATOM 1227 O ASN A 106 0.072 -4.017 -2.948 1.00 0.00 O ATOM 1228 CB ASN A 106 -2.727 -3.264 -2.948 1.00 0.00 C ATOM 1229 CG ASN A 106 -2.725 -4.147 -1.717 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -3.088 -5.314 -1.786 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -2.357 -3.586 -0.577 1.00 0.00 N ATOM 0 H ASN A 106 -2.202 -1.403 -4.772 1.00 0.00 H new ATOM 0 HA ASN A 106 -1.386 -1.890 -1.967 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.669 -2.718 -2.995 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.678 -3.891 -3.838 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -2.369 -4.129 0.286 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -2.061 -2.610 -0.561 1.00 0.00 H new