USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 731 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 26 SER OG : rot -128:sc= 0.159 USER MOD Set 1.2: A 30 SER OG : rot 141:sc= 0.213 USER MOD Set 1.3: A 57 GLN :FLIP amide:sc= 0.0188 F(o=-0.24,f=0.39) USER MOD Set 2.1: A 2 SER OG : rot 180:sc= -0.0868 USER MOD Set 2.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 46:sc= 1.12 USER MOD Single : A 6 SER OG : rot -163:sc= 0.671 USER MOD Single : A 13 LYS NZ :NH3+ 141:sc= 0.572 (180deg=-0.427!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 164:sc= 1.39 USER MOD Single : A 39 ASN : amide:sc= 0.00713 K(o=0.0071,f=-1.5) USER MOD Single : A 40 MET CE :methyl -157:sc= -3.48! (180deg=-4.53!) USER MOD Single : A 41 MET CE :methyl 147:sc= -0.604 (180deg=-2.26!) USER MOD Single : A 42 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.88) USER MOD Single : A 48 LYS NZ :NH3+ 146:sc= 0.022 (180deg=0) USER MOD Single : A 49 SER OG : rot -11:sc= -1.61 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -3.94! C(o=-6.5!,f=-3.9!) USER MOD Single : A 59 MET CE :methyl 166:sc= -3.95! (180deg=-4.17!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -4.65! C(o=-4.7!,f=-13!) USER MOD Single : A 64 THR OG1 : rot 85:sc= 0.663 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.809 USER MOD Single : A 74 CYS SG : rot 76:sc= -0.517 USER MOD Single : A 75 GLN : amide:sc= -0.552 K(o=-0.55,f=-1.1) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.304 X(o=-0.3,f=0.16) USER MOD Single : A 84 GLN : amide:sc= -0.093 K(o=-0.093,f=-1.6!) USER MOD Single : A 85 SER OG : rot 180:sc= 0.00208 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0551 F(o=-3.3!,f=-0.055) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.925 16.596 -10.915 1.00 0.00 N ATOM 2 CA GLY A 1 -7.529 15.368 -11.580 1.00 0.00 C ATOM 3 C GLY A 1 -8.711 14.612 -12.153 1.00 0.00 C ATOM 4 O GLY A 1 -9.145 13.606 -11.591 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.082 17.076 -10.541 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.405 17.220 -11.595 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.573 16.374 -10.132 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.828 15.602 -12.381 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.001 14.729 -10.872 1.00 0.00 H new ATOM 8 N SER A 2 -9.234 15.098 -13.274 1.00 0.00 N ATOM 9 CA SER A 2 -10.377 14.464 -13.921 1.00 0.00 C ATOM 10 C SER A 2 -10.275 12.944 -13.837 1.00 0.00 C ATOM 11 O SER A 2 -11.259 12.260 -13.554 1.00 0.00 O ATOM 12 CB SER A 2 -10.468 14.900 -15.385 1.00 0.00 C ATOM 13 OG SER A 2 -9.417 14.338 -16.151 1.00 0.00 O ATOM 0 H SER A 2 -8.885 15.928 -13.753 1.00 0.00 H new ATOM 0 HA SER A 2 -11.280 14.780 -13.398 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.428 14.594 -15.800 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.426 15.987 -15.447 1.00 0.00 H new ATOM 0 HG SER A 2 -9.499 14.630 -17.083 1.00 0.00 H new ATOM 19 N SER A 3 -9.078 12.423 -14.085 1.00 0.00 N ATOM 20 CA SER A 3 -8.847 10.984 -14.042 1.00 0.00 C ATOM 21 C SER A 3 -8.893 10.469 -12.606 1.00 0.00 C ATOM 22 O SER A 3 -8.422 11.132 -11.682 1.00 0.00 O ATOM 23 CB SER A 3 -7.496 10.643 -14.675 1.00 0.00 C ATOM 24 OG SER A 3 -7.425 11.116 -16.009 1.00 0.00 O ATOM 0 H SER A 3 -8.253 12.976 -14.318 1.00 0.00 H new ATOM 0 HA SER A 3 -9.639 10.497 -14.610 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.693 11.085 -14.086 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.346 9.564 -14.660 1.00 0.00 H new ATOM 0 HG SER A 3 -6.552 10.887 -16.391 1.00 0.00 H new ATOM 30 N GLY A 4 -9.464 9.282 -12.427 1.00 0.00 N ATOM 31 CA GLY A 4 -9.561 8.698 -11.102 1.00 0.00 C ATOM 32 C GLY A 4 -10.678 7.678 -10.999 1.00 0.00 C ATOM 33 O GLY A 4 -11.847 8.039 -10.867 1.00 0.00 O ATOM 0 H GLY A 4 -9.861 8.714 -13.176 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.614 8.222 -10.848 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.727 9.489 -10.371 1.00 0.00 H new ATOM 37 N SER A 5 -10.318 6.400 -11.062 1.00 0.00 N ATOM 38 CA SER A 5 -11.299 5.324 -10.980 1.00 0.00 C ATOM 39 C SER A 5 -10.612 3.976 -10.786 1.00 0.00 C ATOM 40 O SER A 5 -9.412 3.838 -11.025 1.00 0.00 O ATOM 41 CB SER A 5 -12.160 5.294 -12.244 1.00 0.00 C ATOM 42 OG SER A 5 -13.214 6.238 -12.166 1.00 0.00 O ATOM 0 H SER A 5 -9.354 6.084 -11.170 1.00 0.00 H new ATOM 0 HA SER A 5 -11.938 5.513 -10.118 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.540 5.507 -13.115 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.572 4.295 -12.383 1.00 0.00 H new ATOM 0 HG SER A 5 -12.865 7.092 -11.835 1.00 0.00 H new ATOM 48 N SER A 6 -11.382 2.983 -10.352 1.00 0.00 N ATOM 49 CA SER A 6 -10.848 1.646 -10.122 1.00 0.00 C ATOM 50 C SER A 6 -9.873 1.253 -11.228 1.00 0.00 C ATOM 51 O SER A 6 -10.274 0.998 -12.363 1.00 0.00 O ATOM 52 CB SER A 6 -11.986 0.626 -10.044 1.00 0.00 C ATOM 53 OG SER A 6 -12.875 0.935 -8.985 1.00 0.00 O ATOM 0 H SER A 6 -12.378 3.079 -10.153 1.00 0.00 H new ATOM 0 HA SER A 6 -10.311 1.654 -9.174 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.531 0.611 -10.988 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.574 -0.373 -9.898 1.00 0.00 H new ATOM 0 HG SER A 6 -13.425 0.150 -8.780 1.00 0.00 H new ATOM 59 N GLY A 7 -8.589 1.206 -10.887 1.00 0.00 N ATOM 60 CA GLY A 7 -7.575 0.844 -11.860 1.00 0.00 C ATOM 61 C GLY A 7 -6.168 1.011 -11.323 1.00 0.00 C ATOM 62 O GLY A 7 -5.965 1.087 -10.111 1.00 0.00 O ATOM 0 H GLY A 7 -8.233 1.412 -9.954 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.723 -0.192 -12.166 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.695 1.460 -12.751 1.00 0.00 H new ATOM 66 N ASP A 8 -5.195 1.067 -12.224 1.00 0.00 N ATOM 67 CA ASP A 8 -3.799 1.226 -11.834 1.00 0.00 C ATOM 68 C ASP A 8 -3.578 2.566 -11.140 1.00 0.00 C ATOM 69 O ASP A 8 -3.961 3.616 -11.657 1.00 0.00 O ATOM 70 CB ASP A 8 -2.888 1.115 -13.058 1.00 0.00 C ATOM 71 CG ASP A 8 -2.869 2.388 -13.882 1.00 0.00 C ATOM 72 OD1 ASP A 8 -2.312 3.398 -13.401 1.00 0.00 O ATOM 73 OD2 ASP A 8 -3.409 2.374 -15.007 1.00 0.00 O ATOM 0 H ASP A 8 -5.347 1.005 -13.231 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.551 0.429 -11.133 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.874 0.881 -12.733 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.222 0.286 -13.682 1.00 0.00 H new ATOM 78 N VAL A 9 -2.958 2.523 -9.964 1.00 0.00 N ATOM 79 CA VAL A 9 -2.686 3.734 -9.199 1.00 0.00 C ATOM 80 C VAL A 9 -1.191 3.908 -8.959 1.00 0.00 C ATOM 81 O VAL A 9 -0.451 2.930 -8.846 1.00 0.00 O ATOM 82 CB VAL A 9 -3.414 3.715 -7.842 1.00 0.00 C ATOM 83 CG1 VAL A 9 -2.866 4.800 -6.927 1.00 0.00 C ATOM 84 CG2 VAL A 9 -4.913 3.880 -8.039 1.00 0.00 C ATOM 0 H VAL A 9 -2.635 1.663 -9.521 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.056 4.572 -9.790 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.237 2.749 -7.368 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.392 4.771 -5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.802 4.632 -6.760 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.010 5.775 -7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.411 3.864 -7.070 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.112 4.830 -8.534 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.291 3.064 -8.655 1.00 0.00 H new ATOM 94 N PHE A 10 -0.751 5.160 -8.882 1.00 0.00 N ATOM 95 CA PHE A 10 0.657 5.463 -8.655 1.00 0.00 C ATOM 96 C PHE A 10 0.818 6.513 -7.560 1.00 0.00 C ATOM 97 O PHE A 10 0.485 7.683 -7.753 1.00 0.00 O ATOM 98 CB PHE A 10 1.309 5.955 -9.949 1.00 0.00 C ATOM 99 CG PHE A 10 1.568 4.860 -10.944 1.00 0.00 C ATOM 100 CD1 PHE A 10 0.585 4.474 -11.841 1.00 0.00 C ATOM 101 CD2 PHE A 10 2.794 4.215 -10.982 1.00 0.00 C ATOM 102 CE1 PHE A 10 0.819 3.467 -12.758 1.00 0.00 C ATOM 103 CE2 PHE A 10 3.035 3.208 -11.897 1.00 0.00 C ATOM 104 CZ PHE A 10 2.046 2.832 -12.785 1.00 0.00 C ATOM 0 H PHE A 10 -1.350 5.981 -8.974 1.00 0.00 H new ATOM 0 HA PHE A 10 1.152 4.548 -8.331 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.666 6.707 -10.407 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.252 6.446 -9.708 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.376 4.966 -11.823 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.570 4.503 -10.288 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.044 3.177 -13.452 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.996 2.715 -11.918 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.231 2.043 -13.499 1.00 0.00 H new ATOM 114 N ILE A 11 1.330 6.087 -6.410 1.00 0.00 N ATOM 115 CA ILE A 11 1.536 6.990 -5.285 1.00 0.00 C ATOM 116 C ILE A 11 2.949 7.562 -5.291 1.00 0.00 C ATOM 117 O ILE A 11 3.911 6.870 -4.958 1.00 0.00 O ATOM 118 CB ILE A 11 1.288 6.280 -3.941 1.00 0.00 C ATOM 119 CG1 ILE A 11 -0.155 5.776 -3.865 1.00 0.00 C ATOM 120 CG2 ILE A 11 1.589 7.218 -2.782 1.00 0.00 C ATOM 121 CD1 ILE A 11 -1.184 6.885 -3.871 1.00 0.00 C ATOM 0 H ILE A 11 1.610 5.122 -6.233 1.00 0.00 H new ATOM 0 HA ILE A 11 0.817 7.802 -5.396 1.00 0.00 H new ATOM 0 HB ILE A 11 1.957 5.422 -3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.344 5.112 -4.708 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.277 5.183 -2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.409 6.701 -1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.632 7.533 -2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.943 8.093 -2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.184 6.454 -3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.021 7.537 -3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.089 7.464 -4.790 1.00 0.00 H new ATOM 133 N GLU A 12 3.066 8.831 -5.669 1.00 0.00 N ATOM 134 CA GLU A 12 4.363 9.497 -5.717 1.00 0.00 C ATOM 135 C GLU A 12 4.698 10.133 -4.371 1.00 0.00 C ATOM 136 O GLU A 12 4.069 11.107 -3.958 1.00 0.00 O ATOM 137 CB GLU A 12 4.373 10.564 -6.814 1.00 0.00 C ATOM 138 CG GLU A 12 4.496 9.993 -8.217 1.00 0.00 C ATOM 139 CD GLU A 12 5.205 10.936 -9.170 1.00 0.00 C ATOM 140 OE1 GLU A 12 6.453 10.963 -9.160 1.00 0.00 O ATOM 141 OE2 GLU A 12 4.510 11.647 -9.926 1.00 0.00 O ATOM 0 H GLU A 12 2.279 9.418 -5.946 1.00 0.00 H new ATOM 0 HA GLU A 12 5.120 8.746 -5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.456 11.149 -6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.202 11.249 -6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.039 9.049 -8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.501 9.772 -8.604 1.00 0.00 H new ATOM 148 N LYS A 13 5.693 9.574 -3.690 1.00 0.00 N ATOM 149 CA LYS A 13 6.114 10.084 -2.391 1.00 0.00 C ATOM 150 C LYS A 13 7.623 10.299 -2.354 1.00 0.00 C ATOM 151 O LYS A 13 8.306 10.138 -3.365 1.00 0.00 O ATOM 152 CB LYS A 13 5.698 9.117 -1.281 1.00 0.00 C ATOM 153 CG LYS A 13 6.398 7.771 -1.353 1.00 0.00 C ATOM 154 CD LYS A 13 6.175 6.957 -0.089 1.00 0.00 C ATOM 155 CE LYS A 13 7.342 6.022 0.185 1.00 0.00 C ATOM 156 NZ LYS A 13 8.631 6.760 0.294 1.00 0.00 N ATOM 0 H LYS A 13 6.223 8.766 -4.017 1.00 0.00 H new ATOM 0 HA LYS A 13 5.624 11.044 -2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.908 9.575 -0.314 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.621 8.960 -1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.030 7.214 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.467 7.923 -1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.039 7.629 0.758 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.257 6.377 -0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.159 5.473 1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.412 5.285 -0.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.208 6.342 1.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.145 6.696 -0.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.442 7.759 0.514 1.00 0.00 H new ATOM 170 N GLN A 14 8.136 10.662 -1.183 1.00 0.00 N ATOM 171 CA GLN A 14 9.565 10.897 -1.015 1.00 0.00 C ATOM 172 C GLN A 14 10.206 9.788 -0.188 1.00 0.00 C ATOM 173 O GLN A 14 9.900 9.624 0.994 1.00 0.00 O ATOM 174 CB GLN A 14 9.806 12.252 -0.347 1.00 0.00 C ATOM 175 CG GLN A 14 9.552 13.437 -1.265 1.00 0.00 C ATOM 176 CD GLN A 14 9.986 14.754 -0.653 1.00 0.00 C ATOM 177 OE1 GLN A 14 11.174 15.073 -0.617 1.00 0.00 O ATOM 178 NE2 GLN A 14 9.022 15.527 -0.167 1.00 0.00 N ATOM 0 H GLN A 14 7.583 10.800 -0.337 1.00 0.00 H new ATOM 0 HA GLN A 14 10.025 10.900 -2.003 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.161 12.336 0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.835 12.294 0.010 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.084 13.285 -2.204 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.490 13.485 -1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.050 15.223 -0.218 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.254 16.425 0.257 1.00 0.00 H new ATOM 187 N LYS A 15 11.098 9.029 -0.815 1.00 0.00 N ATOM 188 CA LYS A 15 11.784 7.935 -0.137 1.00 0.00 C ATOM 189 C LYS A 15 12.086 8.298 1.313 1.00 0.00 C ATOM 190 O LYS A 15 12.373 9.452 1.628 1.00 0.00 O ATOM 191 CB LYS A 15 13.083 7.590 -0.869 1.00 0.00 C ATOM 192 CG LYS A 15 12.865 6.882 -2.195 1.00 0.00 C ATOM 193 CD LYS A 15 14.184 6.509 -2.851 1.00 0.00 C ATOM 194 CE LYS A 15 13.980 5.517 -3.986 1.00 0.00 C ATOM 195 NZ LYS A 15 15.029 5.651 -5.035 1.00 0.00 N ATOM 0 H LYS A 15 11.363 9.151 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 15 11.127 7.065 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.646 8.507 -1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.696 6.958 -0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.270 5.983 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.295 7.527 -2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.668 7.407 -3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.853 6.079 -2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.992 4.502 -3.588 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.998 5.673 -4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.855 4.958 -5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.001 6.611 -5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.964 5.477 -4.615 1.00 0.00 H new ATOM 209 N GLY A 16 12.020 7.303 2.193 1.00 0.00 N ATOM 210 CA GLY A 16 12.290 7.538 3.600 1.00 0.00 C ATOM 211 C GLY A 16 11.024 7.605 4.430 1.00 0.00 C ATOM 212 O GLY A 16 10.998 7.144 5.571 1.00 0.00 O ATOM 0 H GLY A 16 11.785 6.339 1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.929 6.742 3.982 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.843 8.471 3.710 1.00 0.00 H new ATOM 216 N GLU A 17 9.972 8.182 3.857 1.00 0.00 N ATOM 217 CA GLU A 17 8.698 8.309 4.554 1.00 0.00 C ATOM 218 C GLU A 17 7.788 7.123 4.246 1.00 0.00 C ATOM 219 O GLU A 17 8.052 6.348 3.327 1.00 0.00 O ATOM 220 CB GLU A 17 8.004 9.614 4.159 1.00 0.00 C ATOM 221 CG GLU A 17 7.255 9.530 2.840 1.00 0.00 C ATOM 222 CD GLU A 17 6.352 10.726 2.604 1.00 0.00 C ATOM 223 OE1 GLU A 17 5.648 11.133 3.551 1.00 0.00 O ATOM 224 OE2 GLU A 17 6.351 11.254 1.472 1.00 0.00 O ATOM 0 H GLU A 17 9.977 8.568 2.913 1.00 0.00 H new ATOM 0 HA GLU A 17 8.899 8.322 5.625 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.305 9.897 4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.749 10.407 4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.973 9.455 2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.657 8.619 2.824 1.00 0.00 H new ATOM 231 N ILE A 18 6.718 6.989 5.022 1.00 0.00 N ATOM 232 CA ILE A 18 5.769 5.899 4.833 1.00 0.00 C ATOM 233 C ILE A 18 4.675 6.288 3.844 1.00 0.00 C ATOM 234 O ILE A 18 4.635 7.419 3.359 1.00 0.00 O ATOM 235 CB ILE A 18 5.118 5.482 6.164 1.00 0.00 C ATOM 236 CG1 ILE A 18 4.470 6.691 6.841 1.00 0.00 C ATOM 237 CG2 ILE A 18 6.150 4.844 7.082 1.00 0.00 C ATOM 238 CD1 ILE A 18 3.327 6.327 7.763 1.00 0.00 C ATOM 0 H ILE A 18 6.486 7.622 5.788 1.00 0.00 H new ATOM 0 HA ILE A 18 6.333 5.056 4.434 1.00 0.00 H new ATOM 0 HB ILE A 18 4.341 4.746 5.956 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.229 7.228 7.410 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.104 7.374 6.074 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.674 4.555 8.019 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.569 3.961 6.600 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.947 5.559 7.286 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.916 7.233 8.208 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.549 5.817 7.195 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.691 5.669 8.552 1.00 0.00 H new ATOM 250 N LEU A 19 3.788 5.344 3.551 1.00 0.00 N ATOM 251 CA LEU A 19 2.690 5.587 2.622 1.00 0.00 C ATOM 252 C LEU A 19 1.578 6.390 3.290 1.00 0.00 C ATOM 253 O LEU A 19 0.495 6.553 2.731 1.00 0.00 O ATOM 254 CB LEU A 19 2.135 4.261 2.099 1.00 0.00 C ATOM 255 CG LEU A 19 1.102 4.362 0.976 1.00 0.00 C ATOM 256 CD1 LEU A 19 1.652 5.178 -0.183 1.00 0.00 C ATOM 257 CD2 LEU A 19 0.687 2.976 0.506 1.00 0.00 C ATOM 0 H LEU A 19 3.807 4.403 3.943 1.00 0.00 H new ATOM 0 HA LEU A 19 3.077 6.167 1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.969 3.655 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.684 3.725 2.934 1.00 0.00 H new ATOM 0 HG LEU A 19 0.220 4.870 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.903 5.239 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.897 6.182 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.551 4.699 -0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.048 3.068 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.561 2.441 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.251 2.425 1.339 1.00 0.00 H new ATOM 269 N GLY A 20 1.856 6.890 4.490 1.00 0.00 N ATOM 270 CA GLY A 20 0.870 7.671 5.215 1.00 0.00 C ATOM 271 C GLY A 20 -0.547 7.199 4.956 1.00 0.00 C ATOM 272 O GLY A 20 -1.439 8.005 4.689 1.00 0.00 O ATOM 0 H GLY A 20 2.746 6.768 4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.079 7.614 6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.959 8.719 4.929 1.00 0.00 H new ATOM 276 N VAL A 21 -0.757 5.889 5.035 1.00 0.00 N ATOM 277 CA VAL A 21 -2.075 5.310 4.807 1.00 0.00 C ATOM 278 C VAL A 21 -2.276 4.052 5.644 1.00 0.00 C ATOM 279 O VAL A 21 -1.326 3.319 5.920 1.00 0.00 O ATOM 280 CB VAL A 21 -2.287 4.964 3.321 1.00 0.00 C ATOM 281 CG1 VAL A 21 -1.683 3.606 2.997 1.00 0.00 C ATOM 282 CG2 VAL A 21 -3.768 4.994 2.973 1.00 0.00 C ATOM 0 H VAL A 21 -0.030 5.208 5.255 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.806 6.062 5.105 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.779 5.715 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.843 3.379 1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.613 3.624 3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.160 2.840 3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.899 4.747 1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.300 4.266 3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.167 5.990 3.165 1.00 0.00 H new ATOM 292 N VAL A 22 -3.519 3.807 6.046 1.00 0.00 N ATOM 293 CA VAL A 22 -3.845 2.636 6.851 1.00 0.00 C ATOM 294 C VAL A 22 -4.796 1.705 6.107 1.00 0.00 C ATOM 295 O VAL A 22 -5.725 2.158 5.436 1.00 0.00 O ATOM 296 CB VAL A 22 -4.483 3.038 8.194 1.00 0.00 C ATOM 297 CG1 VAL A 22 -4.772 1.806 9.038 1.00 0.00 C ATOM 298 CG2 VAL A 22 -3.582 4.009 8.942 1.00 0.00 C ATOM 0 H VAL A 22 -4.317 4.404 5.827 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.908 2.114 7.045 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.429 3.539 7.992 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.222 2.110 9.983 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.459 1.151 8.502 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.842 1.273 9.234 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.048 4.282 9.889 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.619 3.537 9.135 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.432 4.905 8.339 1.00 0.00 H new ATOM 308 N ILE A 23 -4.560 0.404 6.231 1.00 0.00 N ATOM 309 CA ILE A 23 -5.397 -0.590 5.572 1.00 0.00 C ATOM 310 C ILE A 23 -6.012 -1.550 6.585 1.00 0.00 C ATOM 311 O ILE A 23 -5.527 -1.677 7.709 1.00 0.00 O ATOM 312 CB ILE A 23 -4.597 -1.401 4.534 1.00 0.00 C ATOM 313 CG1 ILE A 23 -3.444 -2.143 5.213 1.00 0.00 C ATOM 314 CG2 ILE A 23 -4.072 -0.486 3.438 1.00 0.00 C ATOM 315 CD1 ILE A 23 -3.033 -3.408 4.493 1.00 0.00 C ATOM 0 H ILE A 23 -3.796 0.013 6.782 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.191 -0.045 5.062 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.261 -2.137 4.080 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.584 -1.477 5.281 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.734 -2.393 6.233 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.509 -1.073 2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.909 0.002 2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.421 0.270 3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.211 -3.882 5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.880 -4.093 4.448 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.711 -3.162 3.481 1.00 0.00 H new ATOM 327 N VAL A 24 -7.083 -2.225 6.178 1.00 0.00 N ATOM 328 CA VAL A 24 -7.764 -3.175 7.049 1.00 0.00 C ATOM 329 C VAL A 24 -8.414 -4.293 6.241 1.00 0.00 C ATOM 330 O VAL A 24 -8.613 -4.163 5.033 1.00 0.00 O ATOM 331 CB VAL A 24 -8.841 -2.482 7.904 1.00 0.00 C ATOM 332 CG1 VAL A 24 -8.196 -1.616 8.976 1.00 0.00 C ATOM 333 CG2 VAL A 24 -9.767 -1.655 7.025 1.00 0.00 C ATOM 0 H VAL A 24 -7.497 -2.131 5.251 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.006 -3.599 7.708 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.436 -3.249 8.400 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.972 -1.134 9.570 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.577 -2.238 9.623 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.575 -0.854 8.504 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.522 -1.172 7.645 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.188 -0.895 6.500 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.255 -2.305 6.299 1.00 0.00 H new ATOM 343 N GLU A 25 -8.743 -5.390 6.916 1.00 0.00 N ATOM 344 CA GLU A 25 -9.370 -6.530 6.259 1.00 0.00 C ATOM 345 C GLU A 25 -10.569 -6.086 5.426 1.00 0.00 C ATOM 346 O GLU A 25 -11.378 -5.271 5.868 1.00 0.00 O ATOM 347 CB GLU A 25 -9.811 -7.565 7.296 1.00 0.00 C ATOM 348 CG GLU A 25 -8.679 -8.447 7.796 1.00 0.00 C ATOM 349 CD GLU A 25 -9.171 -9.596 8.655 1.00 0.00 C ATOM 350 OE1 GLU A 25 -10.336 -10.010 8.481 1.00 0.00 O ATOM 351 OE2 GLU A 25 -8.390 -10.081 9.500 1.00 0.00 O ATOM 0 H GLU A 25 -8.586 -5.513 7.916 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.635 -6.983 5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.260 -7.048 8.144 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.586 -8.195 6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.130 -8.845 6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.979 -7.842 8.372 1.00 0.00 H new ATOM 358 N SER A 26 -10.676 -6.629 4.217 1.00 0.00 N ATOM 359 CA SER A 26 -11.773 -6.286 3.319 1.00 0.00 C ATOM 360 C SER A 26 -13.065 -6.971 3.754 1.00 0.00 C ATOM 361 O SER A 26 -13.760 -7.582 2.944 1.00 0.00 O ATOM 362 CB SER A 26 -11.429 -6.686 1.883 1.00 0.00 C ATOM 363 OG SER A 26 -12.053 -5.822 0.950 1.00 0.00 O ATOM 0 H SER A 26 -10.017 -7.308 3.837 1.00 0.00 H new ATOM 0 HA SER A 26 -11.921 -5.207 3.362 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.348 -6.658 1.743 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.747 -7.713 1.702 1.00 0.00 H new ATOM 0 HG SER A 26 -12.538 -6.354 0.285 1.00 0.00 H new ATOM 369 N GLY A 27 -13.380 -6.865 5.042 1.00 0.00 N ATOM 370 CA GLY A 27 -14.587 -7.478 5.563 1.00 0.00 C ATOM 371 C GLY A 27 -14.871 -8.827 4.932 1.00 0.00 C ATOM 372 O GLY A 27 -16.024 -9.250 4.851 1.00 0.00 O ATOM 0 H GLY A 27 -12.820 -6.365 5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.493 -7.598 6.642 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.433 -6.813 5.388 1.00 0.00 H new ATOM 376 N TRP A 28 -13.819 -9.501 4.484 1.00 0.00 N ATOM 377 CA TRP A 28 -13.962 -10.810 3.854 1.00 0.00 C ATOM 378 C TRP A 28 -15.266 -10.897 3.069 1.00 0.00 C ATOM 379 O TRP A 28 -15.899 -11.950 3.014 1.00 0.00 O ATOM 380 CB TRP A 28 -13.914 -11.914 4.911 1.00 0.00 C ATOM 381 CG TRP A 28 -12.555 -12.099 5.516 1.00 0.00 C ATOM 382 CD1 TRP A 28 -11.902 -11.232 6.344 1.00 0.00 C ATOM 383 CD2 TRP A 28 -11.683 -13.221 5.338 1.00 0.00 C ATOM 384 NE1 TRP A 28 -10.676 -11.746 6.692 1.00 0.00 N ATOM 385 CE2 TRP A 28 -10.518 -12.966 6.088 1.00 0.00 C ATOM 386 CE3 TRP A 28 -11.773 -14.416 4.620 1.00 0.00 C ATOM 387 CZ2 TRP A 28 -9.454 -13.862 6.138 1.00 0.00 C ATOM 388 CZ3 TRP A 28 -10.716 -15.304 4.670 1.00 0.00 C ATOM 389 CH2 TRP A 28 -9.570 -15.025 5.425 1.00 0.00 C ATOM 0 H TRP A 28 -12.858 -9.164 4.545 1.00 0.00 H new ATOM 0 HA TRP A 28 -13.133 -10.944 3.160 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -14.627 -11.681 5.702 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -14.234 -12.853 4.460 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -12.292 -10.281 6.677 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.994 -11.293 7.301 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -12.653 -14.642 4.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.569 -13.648 6.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -10.774 -16.230 4.117 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.762 -15.741 5.445 1.00 0.00 H new ATOM 400 N GLY A 29 -15.662 -9.782 2.462 1.00 0.00 N ATOM 401 CA GLY A 29 -16.889 -9.755 1.688 1.00 0.00 C ATOM 402 C GLY A 29 -16.632 -9.648 0.198 1.00 0.00 C ATOM 403 O GLY A 29 -16.833 -10.609 -0.544 1.00 0.00 O ATOM 0 H GLY A 29 -15.155 -8.897 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.463 -10.659 1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.500 -8.911 2.010 1.00 0.00 H new ATOM 407 N SER A 30 -16.188 -8.475 -0.242 1.00 0.00 N ATOM 408 CA SER A 30 -15.908 -8.244 -1.655 1.00 0.00 C ATOM 409 C SER A 30 -15.373 -9.510 -2.317 1.00 0.00 C ATOM 410 O SER A 30 -14.639 -10.283 -1.700 1.00 0.00 O ATOM 411 CB SER A 30 -14.900 -7.105 -1.817 1.00 0.00 C ATOM 412 OG SER A 30 -13.651 -7.443 -1.240 1.00 0.00 O ATOM 0 H SER A 30 -16.014 -7.670 0.359 1.00 0.00 H new ATOM 0 HA SER A 30 -16.841 -7.966 -2.144 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.766 -6.881 -2.875 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.289 -6.202 -1.347 1.00 0.00 H new ATOM 0 HG SER A 30 -12.927 -7.107 -1.808 1.00 0.00 H new ATOM 418 N ILE A 31 -15.746 -9.715 -3.575 1.00 0.00 N ATOM 419 CA ILE A 31 -15.303 -10.886 -4.322 1.00 0.00 C ATOM 420 C ILE A 31 -13.894 -11.299 -3.912 1.00 0.00 C ATOM 421 O ILE A 31 -13.675 -12.413 -3.434 1.00 0.00 O ATOM 422 CB ILE A 31 -15.330 -10.630 -5.840 1.00 0.00 C ATOM 423 CG1 ILE A 31 -16.768 -10.428 -6.320 1.00 0.00 C ATOM 424 CG2 ILE A 31 -14.674 -11.783 -6.584 1.00 0.00 C ATOM 425 CD1 ILE A 31 -17.738 -11.450 -5.770 1.00 0.00 C ATOM 0 H ILE A 31 -16.354 -9.086 -4.099 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.998 -11.692 -4.086 1.00 0.00 H new ATOM 0 HB ILE A 31 -14.766 -9.721 -6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -17.102 -9.431 -6.033 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -16.788 -10.469 -7.409 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.701 -11.587 -7.656 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.638 -11.883 -6.260 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -15.212 -12.707 -6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.738 -11.245 -6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.429 -12.448 -6.079 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.747 -11.394 -4.681 1.00 0.00 H new ATOM 437 N LEU A 32 -12.940 -10.393 -4.100 1.00 0.00 N ATOM 438 CA LEU A 32 -11.550 -10.662 -3.748 1.00 0.00 C ATOM 439 C LEU A 32 -11.165 -9.939 -2.461 1.00 0.00 C ATOM 440 O LEU A 32 -10.748 -8.781 -2.471 1.00 0.00 O ATOM 441 CB LEU A 32 -10.623 -10.230 -4.885 1.00 0.00 C ATOM 442 CG LEU A 32 -10.294 -11.300 -5.926 1.00 0.00 C ATOM 443 CD1 LEU A 32 -9.720 -12.539 -5.255 1.00 0.00 C ATOM 444 CD2 LEU A 32 -11.532 -11.656 -6.736 1.00 0.00 C ATOM 0 H LEU A 32 -13.104 -9.466 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.443 -11.735 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.079 -9.382 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.689 -9.875 -4.450 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.543 -10.898 -6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.492 -13.290 -6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.808 -12.274 -4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.448 -12.942 -4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.278 -12.419 -7.472 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.306 -12.038 -6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.900 -10.767 -7.248 1.00 0.00 H new ATOM 456 N PRO A 33 -11.305 -10.639 -1.325 1.00 0.00 N ATOM 457 CA PRO A 33 -10.975 -10.085 -0.008 1.00 0.00 C ATOM 458 C PRO A 33 -9.474 -9.893 0.180 1.00 0.00 C ATOM 459 O PRO A 33 -8.759 -10.825 0.551 1.00 0.00 O ATOM 460 CB PRO A 33 -11.505 -11.141 0.964 1.00 0.00 C ATOM 461 CG PRO A 33 -11.499 -12.411 0.184 1.00 0.00 C ATOM 462 CD PRO A 33 -11.796 -12.024 -1.238 1.00 0.00 C ATOM 0 HA PRO A 33 -11.409 -9.096 0.139 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.873 -11.217 1.849 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -12.509 -10.893 1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.533 -12.911 0.259 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.248 -13.106 0.564 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.286 -12.676 -1.947 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.862 -12.087 -1.457 1.00 0.00 H new ATOM 470 N THR A 34 -9.000 -8.677 -0.078 1.00 0.00 N ATOM 471 CA THR A 34 -7.584 -8.363 0.062 1.00 0.00 C ATOM 472 C THR A 34 -7.351 -7.370 1.196 1.00 0.00 C ATOM 473 O THR A 34 -6.894 -7.743 2.276 1.00 0.00 O ATOM 474 CB THR A 34 -7.006 -7.782 -1.242 1.00 0.00 C ATOM 475 OG1 THR A 34 -7.669 -6.555 -1.567 1.00 0.00 O ATOM 476 CG2 THR A 34 -7.161 -8.768 -2.389 1.00 0.00 C ATOM 0 H THR A 34 -9.577 -7.894 -0.385 1.00 0.00 H new ATOM 0 HA THR A 34 -7.073 -9.298 0.291 1.00 0.00 H new ATOM 0 HB THR A 34 -5.944 -7.591 -1.090 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.144 -6.067 -2.236 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.746 -8.336 -3.299 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.631 -9.690 -2.150 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.218 -8.986 -2.541 1.00 0.00 H new ATOM 484 N VAL A 35 -7.668 -6.105 0.942 1.00 0.00 N ATOM 485 CA VAL A 35 -7.495 -5.058 1.942 1.00 0.00 C ATOM 486 C VAL A 35 -8.027 -3.722 1.437 1.00 0.00 C ATOM 487 O VAL A 35 -7.921 -3.408 0.251 1.00 0.00 O ATOM 488 CB VAL A 35 -6.014 -4.894 2.331 1.00 0.00 C ATOM 489 CG1 VAL A 35 -5.663 -5.807 3.496 1.00 0.00 C ATOM 490 CG2 VAL A 35 -5.115 -5.172 1.136 1.00 0.00 C ATOM 0 H VAL A 35 -8.046 -5.780 0.052 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.063 -5.363 2.821 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.852 -3.863 2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.613 -5.677 3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.284 -5.555 4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.841 -6.844 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.072 -5.051 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.278 -6.192 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.349 -4.472 0.334 1.00 0.00 H new ATOM 500 N ILE A 36 -8.600 -2.938 2.345 1.00 0.00 N ATOM 501 CA ILE A 36 -9.148 -1.635 1.992 1.00 0.00 C ATOM 502 C ILE A 36 -8.615 -0.545 2.916 1.00 0.00 C ATOM 503 O ILE A 36 -8.276 -0.808 4.071 1.00 0.00 O ATOM 504 CB ILE A 36 -10.687 -1.636 2.052 1.00 0.00 C ATOM 505 CG1 ILE A 36 -11.168 -2.316 3.335 1.00 0.00 C ATOM 506 CG2 ILE A 36 -11.264 -2.331 0.828 1.00 0.00 C ATOM 507 CD1 ILE A 36 -12.665 -2.236 3.537 1.00 0.00 C ATOM 0 H ILE A 36 -8.696 -3.183 3.330 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.833 -1.427 0.970 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.037 -0.604 2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.868 -3.364 3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.669 -1.857 4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.352 -2.324 0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.944 -1.807 -0.073 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.909 -3.361 0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.934 -2.739 4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.970 -1.191 3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.171 -2.721 2.702 1.00 0.00 H new ATOM 519 N ILE A 37 -8.544 0.677 2.401 1.00 0.00 N ATOM 520 CA ILE A 37 -8.055 1.807 3.182 1.00 0.00 C ATOM 521 C ILE A 37 -8.978 2.102 4.360 1.00 0.00 C ATOM 522 O ILE A 37 -10.138 2.470 4.176 1.00 0.00 O ATOM 523 CB ILE A 37 -7.924 3.075 2.317 1.00 0.00 C ATOM 524 CG1 ILE A 37 -7.211 2.750 1.003 1.00 0.00 C ATOM 525 CG2 ILE A 37 -7.177 4.160 3.077 1.00 0.00 C ATOM 526 CD1 ILE A 37 -8.151 2.347 -0.112 1.00 0.00 C ATOM 0 H ILE A 37 -8.819 0.911 1.447 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.070 1.529 3.556 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.923 3.444 2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.637 3.620 0.686 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.498 1.943 1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.093 5.049 2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.722 4.407 3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.180 3.803 3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.576 2.131 -1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.707 1.458 0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.848 3.161 -0.313 1.00 0.00 H new ATOM 538 N ALA A 38 -8.454 1.940 5.570 1.00 0.00 N ATOM 539 CA ALA A 38 -9.229 2.193 6.778 1.00 0.00 C ATOM 540 C ALA A 38 -9.139 3.658 7.192 1.00 0.00 C ATOM 541 O ALA A 38 -10.057 4.196 7.809 1.00 0.00 O ATOM 542 CB ALA A 38 -8.752 1.293 7.909 1.00 0.00 C ATOM 0 H ALA A 38 -7.496 1.635 5.740 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.274 1.967 6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.339 1.493 8.805 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.875 0.249 7.620 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.700 1.492 8.113 1.00 0.00 H new ATOM 548 N ASN A 39 -8.026 4.298 6.848 1.00 0.00 N ATOM 549 CA ASN A 39 -7.815 5.701 7.185 1.00 0.00 C ATOM 550 C ASN A 39 -6.626 6.272 6.419 1.00 0.00 C ATOM 551 O ASN A 39 -5.792 5.528 5.904 1.00 0.00 O ATOM 552 CB ASN A 39 -7.590 5.857 8.691 1.00 0.00 C ATOM 553 CG ASN A 39 -8.052 7.205 9.208 1.00 0.00 C ATOM 554 OD1 ASN A 39 -7.368 8.215 9.040 1.00 0.00 O ATOM 555 ND2 ASN A 39 -9.219 7.227 9.841 1.00 0.00 N ATOM 0 H ASN A 39 -7.256 3.867 6.336 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.708 6.256 6.899 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.123 5.066 9.219 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.530 5.730 8.912 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.582 8.105 10.211 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.752 6.365 9.957 1.00 0.00 H new ATOM 562 N MET A 40 -6.556 7.597 6.350 1.00 0.00 N ATOM 563 CA MET A 40 -5.467 8.268 5.648 1.00 0.00 C ATOM 564 C MET A 40 -4.791 9.296 6.550 1.00 0.00 C ATOM 565 O MET A 40 -5.458 10.102 7.198 1.00 0.00 O ATOM 566 CB MET A 40 -5.991 8.950 4.383 1.00 0.00 C ATOM 567 CG MET A 40 -6.136 8.007 3.200 1.00 0.00 C ATOM 568 SD MET A 40 -6.562 8.867 1.673 1.00 0.00 S ATOM 569 CE MET A 40 -7.917 7.856 1.083 1.00 0.00 C ATOM 0 H MET A 40 -7.239 8.227 6.771 1.00 0.00 H new ATOM 0 HA MET A 40 -4.730 7.515 5.368 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.960 9.401 4.598 1.00 0.00 H new ATOM 0 HB3 MET A 40 -5.315 9.760 4.110 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.202 7.463 3.058 1.00 0.00 H new ATOM 0 HG3 MET A 40 -6.905 7.267 3.422 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.023 7.982 0.005 1.00 0.00 H new ATOM 0 HE2 MET A 40 -7.714 6.809 1.308 1.00 0.00 H new ATOM 0 HE3 MET A 40 -8.840 8.161 1.576 1.00 0.00 H new ATOM 579 N MET A 41 -3.463 9.261 6.588 1.00 0.00 N ATOM 580 CA MET A 41 -2.697 10.190 7.410 1.00 0.00 C ATOM 581 C MET A 41 -2.996 11.634 7.021 1.00 0.00 C ATOM 582 O MET A 41 -3.360 11.917 5.879 1.00 0.00 O ATOM 583 CB MET A 41 -1.199 9.912 7.272 1.00 0.00 C ATOM 584 CG MET A 41 -0.364 10.513 8.391 1.00 0.00 C ATOM 585 SD MET A 41 -0.416 9.530 9.902 1.00 0.00 S ATOM 586 CE MET A 41 0.215 7.963 9.308 1.00 0.00 C ATOM 0 H MET A 41 -2.895 8.599 6.059 1.00 0.00 H new ATOM 0 HA MET A 41 -2.992 10.044 8.449 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.038 8.834 7.249 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.851 10.307 6.318 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.670 10.606 8.058 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.722 11.520 8.605 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.780 7.474 10.101 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.617 7.325 9.009 1.00 0.00 H new ATOM 0 HE3 MET A 41 0.866 8.134 8.451 1.00 0.00 H new ATOM 596 N HIS A 42 -2.841 12.545 7.977 1.00 0.00 N ATOM 597 CA HIS A 42 -3.094 13.960 7.733 1.00 0.00 C ATOM 598 C HIS A 42 -1.853 14.645 7.168 1.00 0.00 C ATOM 599 O HIS A 42 -1.131 15.335 7.886 1.00 0.00 O ATOM 600 CB HIS A 42 -3.528 14.652 9.026 1.00 0.00 C ATOM 601 CG HIS A 42 -2.749 14.217 10.229 1.00 0.00 C ATOM 602 ND1 HIS A 42 -3.127 13.158 11.027 1.00 0.00 N ATOM 603 CD2 HIS A 42 -1.607 14.704 10.767 1.00 0.00 C ATOM 604 CE1 HIS A 42 -2.251 13.013 12.005 1.00 0.00 C ATOM 605 NE2 HIS A 42 -1.319 13.939 11.871 1.00 0.00 N ATOM 0 H HIS A 42 -2.541 12.328 8.928 1.00 0.00 H new ATOM 0 HA HIS A 42 -3.896 14.039 7.000 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.422 15.730 8.905 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.586 14.453 9.197 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.030 15.539 10.397 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -2.290 12.264 12.782 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -0.516 14.066 12.487 1.00 0.00 H new ATOM 614 N GLY A 43 -1.612 14.448 5.875 1.00 0.00 N ATOM 615 CA GLY A 43 -0.457 15.051 5.236 1.00 0.00 C ATOM 616 C GLY A 43 0.481 14.021 4.640 1.00 0.00 C ATOM 617 O GLY A 43 1.655 14.302 4.405 1.00 0.00 O ATOM 0 H GLY A 43 -2.196 13.882 5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.793 15.729 4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.085 15.652 5.966 1.00 0.00 H new ATOM 621 N GLY A 44 -0.038 12.821 4.395 1.00 0.00 N ATOM 622 CA GLY A 44 0.775 11.762 3.827 1.00 0.00 C ATOM 623 C GLY A 44 0.710 11.731 2.313 1.00 0.00 C ATOM 624 O GLY A 44 0.019 12.531 1.683 1.00 0.00 O ATOM 0 H GLY A 44 -1.008 12.564 4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.810 11.895 4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.443 10.802 4.222 1.00 0.00 H new ATOM 628 N PRO A 45 1.445 10.787 1.705 1.00 0.00 N ATOM 629 CA PRO A 45 1.485 10.632 0.248 1.00 0.00 C ATOM 630 C PRO A 45 0.168 10.109 -0.316 1.00 0.00 C ATOM 631 O PRO A 45 -0.255 10.508 -1.401 1.00 0.00 O ATOM 632 CB PRO A 45 2.603 9.610 0.031 1.00 0.00 C ATOM 633 CG PRO A 45 2.658 8.833 1.300 1.00 0.00 C ATOM 634 CD PRO A 45 2.292 9.799 2.393 1.00 0.00 C ATOM 0 HA PRO A 45 1.653 11.582 -0.259 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.389 8.963 -0.820 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.554 10.101 -0.174 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.964 7.993 1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.654 8.420 1.462 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.756 9.305 3.203 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.175 10.263 2.832 1.00 0.00 H new ATOM 642 N ALA A 46 -0.475 9.215 0.427 1.00 0.00 N ATOM 643 CA ALA A 46 -1.745 8.639 0.002 1.00 0.00 C ATOM 644 C ALA A 46 -2.864 9.673 0.063 1.00 0.00 C ATOM 645 O ALA A 46 -3.658 9.797 -0.868 1.00 0.00 O ATOM 646 CB ALA A 46 -2.091 7.432 0.861 1.00 0.00 C ATOM 0 H ALA A 46 -0.137 8.873 1.327 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.641 8.316 -1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.042 7.012 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.309 6.679 0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.171 7.739 1.904 1.00 0.00 H new ATOM 652 N GLU A 47 -2.921 10.413 1.166 1.00 0.00 N ATOM 653 CA GLU A 47 -3.944 11.435 1.348 1.00 0.00 C ATOM 654 C GLU A 47 -3.810 12.533 0.297 1.00 0.00 C ATOM 655 O GLU A 47 -4.804 13.097 -0.160 1.00 0.00 O ATOM 656 CB GLU A 47 -3.848 12.042 2.750 1.00 0.00 C ATOM 657 CG GLU A 47 -4.722 13.269 2.943 1.00 0.00 C ATOM 658 CD GLU A 47 -6.117 12.922 3.428 1.00 0.00 C ATOM 659 OE1 GLU A 47 -6.880 12.311 2.651 1.00 0.00 O ATOM 660 OE2 GLU A 47 -6.444 13.261 4.584 1.00 0.00 O ATOM 0 H GLU A 47 -2.271 10.323 1.947 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.918 10.961 1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.130 11.287 3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.811 12.310 2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.248 13.939 3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.794 13.811 2.000 1.00 0.00 H new ATOM 667 N LYS A 48 -2.572 12.832 -0.083 1.00 0.00 N ATOM 668 CA LYS A 48 -2.305 13.861 -1.080 1.00 0.00 C ATOM 669 C LYS A 48 -2.492 13.313 -2.491 1.00 0.00 C ATOM 670 O LYS A 48 -2.980 14.012 -3.379 1.00 0.00 O ATOM 671 CB LYS A 48 -0.882 14.402 -0.916 1.00 0.00 C ATOM 672 CG LYS A 48 -0.779 15.554 0.067 1.00 0.00 C ATOM 673 CD LYS A 48 0.662 15.998 0.258 1.00 0.00 C ATOM 674 CE LYS A 48 1.380 15.132 1.282 1.00 0.00 C ATOM 675 NZ LYS A 48 2.621 15.783 1.786 1.00 0.00 N ATOM 0 H LYS A 48 -1.737 12.375 0.285 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.016 14.673 -0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.231 13.593 -0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.513 14.730 -1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.375 16.393 -0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.198 15.253 1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.189 15.949 -0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.684 17.039 0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.711 14.928 2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.631 14.171 0.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.764 15.531 2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.435 15.458 1.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.531 16.815 1.699 1.00 0.00 H new ATOM 689 N SER A 49 -2.103 12.058 -2.690 1.00 0.00 N ATOM 690 CA SER A 49 -2.227 11.417 -3.994 1.00 0.00 C ATOM 691 C SER A 49 -3.672 11.451 -4.482 1.00 0.00 C ATOM 692 O SER A 49 -3.935 11.671 -5.663 1.00 0.00 O ATOM 693 CB SER A 49 -1.734 9.970 -3.923 1.00 0.00 C ATOM 694 OG SER A 49 -2.423 9.245 -2.919 1.00 0.00 O ATOM 0 H SER A 49 -1.699 11.465 -1.965 1.00 0.00 H new ATOM 0 HA SER A 49 -1.610 11.969 -4.703 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.878 9.486 -4.889 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.664 9.957 -3.716 1.00 0.00 H new ATOM 0 HG SER A 49 -2.942 9.865 -2.366 1.00 0.00 H new ATOM 700 N GLY A 50 -4.606 11.231 -3.561 1.00 0.00 N ATOM 701 CA GLY A 50 -6.013 11.241 -3.915 1.00 0.00 C ATOM 702 C GLY A 50 -6.366 10.159 -4.917 1.00 0.00 C ATOM 703 O GLY A 50 -7.425 10.204 -5.544 1.00 0.00 O ATOM 0 H GLY A 50 -4.413 11.046 -2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.612 11.107 -3.014 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.273 12.215 -4.330 1.00 0.00 H new ATOM 707 N LYS A 51 -5.477 9.184 -5.070 1.00 0.00 N ATOM 708 CA LYS A 51 -5.699 8.085 -6.003 1.00 0.00 C ATOM 709 C LYS A 51 -6.660 7.058 -5.415 1.00 0.00 C ATOM 710 O LYS A 51 -7.315 6.314 -6.147 1.00 0.00 O ATOM 711 CB LYS A 51 -4.370 7.413 -6.356 1.00 0.00 C ATOM 712 CG LYS A 51 -3.313 8.380 -6.859 1.00 0.00 C ATOM 713 CD LYS A 51 -3.369 8.529 -8.371 1.00 0.00 C ATOM 714 CE LYS A 51 -4.290 9.666 -8.785 1.00 0.00 C ATOM 715 NZ LYS A 51 -4.316 9.848 -10.263 1.00 0.00 N ATOM 0 H LYS A 51 -4.595 9.132 -4.560 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.144 8.495 -6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.988 6.897 -5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.548 6.654 -7.118 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.457 9.354 -6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.325 8.027 -6.563 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.366 8.713 -8.757 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.716 7.597 -8.817 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.299 9.465 -8.426 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.961 10.591 -8.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.955 10.632 -10.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.357 10.065 -10.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.654 8.974 -10.714 1.00 0.00 H new ATOM 729 N LEU A 52 -6.742 7.022 -4.089 1.00 0.00 N ATOM 730 CA LEU A 52 -7.626 6.086 -3.403 1.00 0.00 C ATOM 731 C LEU A 52 -8.650 6.829 -2.551 1.00 0.00 C ATOM 732 O LEU A 52 -8.642 8.057 -2.484 1.00 0.00 O ATOM 733 CB LEU A 52 -6.811 5.134 -2.525 1.00 0.00 C ATOM 734 CG LEU A 52 -5.530 5.710 -1.920 1.00 0.00 C ATOM 735 CD1 LEU A 52 -4.480 5.926 -2.999 1.00 0.00 C ATOM 736 CD2 LEU A 52 -5.823 7.014 -1.192 1.00 0.00 C ATOM 0 H LEU A 52 -6.207 7.630 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.159 5.508 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.448 4.786 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.547 4.260 -3.120 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.139 4.993 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.576 6.336 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.248 4.974 -3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.863 6.623 -3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.900 7.409 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.239 7.737 -1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.540 6.831 -0.392 1.00 0.00 H new ATOM 748 N ASN A 53 -9.530 6.075 -1.900 1.00 0.00 N ATOM 749 CA ASN A 53 -10.560 6.662 -1.051 1.00 0.00 C ATOM 750 C ASN A 53 -10.998 5.681 0.031 1.00 0.00 C ATOM 751 O ASN A 53 -11.092 4.477 -0.210 1.00 0.00 O ATOM 752 CB ASN A 53 -11.767 7.081 -1.893 1.00 0.00 C ATOM 753 CG ASN A 53 -11.379 7.468 -3.308 1.00 0.00 C ATOM 754 OD1 ASN A 53 -10.773 6.534 -4.031 1.00 0.00 O flip ATOM 755 ND2 ASN A 53 -11.621 8.593 -3.744 1.00 0.00 N flip ATOM 0 H ASN A 53 -9.550 5.056 -1.944 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.138 7.543 -0.568 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.485 6.261 -1.927 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.267 7.922 -1.413 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.089 9.280 -3.152 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.354 8.839 -4.697 1.00 0.00 H new ATOM 762 N ILE A 54 -11.265 6.203 1.224 1.00 0.00 N ATOM 763 CA ILE A 54 -11.694 5.373 2.342 1.00 0.00 C ATOM 764 C ILE A 54 -12.753 4.367 1.906 1.00 0.00 C ATOM 765 O ILE A 54 -13.899 4.731 1.644 1.00 0.00 O ATOM 766 CB ILE A 54 -12.257 6.228 3.493 1.00 0.00 C ATOM 767 CG1 ILE A 54 -11.201 7.221 3.984 1.00 0.00 C ATOM 768 CG2 ILE A 54 -12.724 5.337 4.635 1.00 0.00 C ATOM 769 CD1 ILE A 54 -10.016 6.562 4.653 1.00 0.00 C ATOM 0 H ILE A 54 -11.192 7.197 1.440 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.812 4.838 2.694 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.114 6.791 3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.848 7.811 3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.665 7.914 4.686 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.119 5.956 5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.504 4.666 4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.883 4.751 5.006 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.309 7.326 4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.356 5.994 5.519 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.527 5.890 3.948 1.00 0.00 H new ATOM 781 N GLY A 55 -12.362 3.099 1.831 1.00 0.00 N ATOM 782 CA GLY A 55 -13.290 2.059 1.428 1.00 0.00 C ATOM 783 C GLY A 55 -12.779 1.249 0.252 1.00 0.00 C ATOM 784 O GLY A 55 -13.124 0.078 0.100 1.00 0.00 O ATOM 0 H GLY A 55 -11.419 2.773 2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.473 1.393 2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.246 2.511 1.165 1.00 0.00 H new ATOM 788 N ASP A 56 -11.955 1.875 -0.581 1.00 0.00 N ATOM 789 CA ASP A 56 -11.396 1.206 -1.750 1.00 0.00 C ATOM 790 C ASP A 56 -10.476 0.063 -1.333 1.00 0.00 C ATOM 791 O ASP A 56 -9.856 0.109 -0.270 1.00 0.00 O ATOM 792 CB ASP A 56 -10.628 2.204 -2.617 1.00 0.00 C ATOM 793 CG ASP A 56 -11.504 2.841 -3.679 1.00 0.00 C ATOM 794 OD1 ASP A 56 -12.725 2.958 -3.449 1.00 0.00 O ATOM 795 OD2 ASP A 56 -10.967 3.222 -4.741 1.00 0.00 O ATOM 0 H ASP A 56 -11.659 2.845 -0.468 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.221 0.792 -2.330 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.206 2.983 -1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.791 1.696 -3.097 1.00 0.00 H new ATOM 800 N GLN A 57 -10.393 -0.961 -2.176 1.00 0.00 N ATOM 801 CA GLN A 57 -9.549 -2.117 -1.893 1.00 0.00 C ATOM 802 C GLN A 57 -8.385 -2.194 -2.875 1.00 0.00 C ATOM 803 O GLN A 57 -8.472 -1.693 -3.996 1.00 0.00 O ATOM 804 CB GLN A 57 -10.373 -3.404 -1.957 1.00 0.00 C ATOM 805 CG GLN A 57 -10.385 -4.051 -3.332 1.00 0.00 C ATOM 806 CD GLN A 57 -11.583 -4.955 -3.542 1.00 0.00 C ATOM 807 OE1 GLN A 57 -11.410 -6.242 -3.264 1.00 0.00 O flip ATOM 808 NE2 GLN A 57 -12.654 -4.502 -3.949 1.00 0.00 N flip ATOM 0 H GLN A 57 -10.899 -1.014 -3.060 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.145 -2.003 -0.887 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.976 -4.116 -1.233 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.398 -3.184 -1.659 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.384 -3.273 -4.095 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.471 -4.629 -3.465 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.743 -3.506 -4.150 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.452 -5.123 -4.085 1.00 0.00 H new ATOM 817 N ILE A 58 -7.297 -2.825 -2.446 1.00 0.00 N ATOM 818 CA ILE A 58 -6.116 -2.968 -3.289 1.00 0.00 C ATOM 819 C ILE A 58 -6.026 -4.373 -3.874 1.00 0.00 C ATOM 820 O ILE A 58 -5.845 -5.349 -3.147 1.00 0.00 O ATOM 821 CB ILE A 58 -4.825 -2.667 -2.505 1.00 0.00 C ATOM 822 CG1 ILE A 58 -4.983 -1.379 -1.695 1.00 0.00 C ATOM 823 CG2 ILE A 58 -3.641 -2.560 -3.455 1.00 0.00 C ATOM 824 CD1 ILE A 58 -3.795 -1.071 -0.811 1.00 0.00 C ATOM 0 H ILE A 58 -7.209 -3.245 -1.521 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.216 -2.245 -4.099 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.638 -3.488 -1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.142 -0.546 -2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.876 -1.457 -1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.736 -2.347 -2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.519 -3.501 -3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.819 -1.755 -4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.977 -0.144 -0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.648 -1.886 -0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.902 -0.961 -1.427 1.00 0.00 H new ATOM 836 N MET A 59 -6.152 -4.468 -5.194 1.00 0.00 N ATOM 837 CA MET A 59 -6.081 -5.754 -5.878 1.00 0.00 C ATOM 838 C MET A 59 -4.683 -6.353 -5.766 1.00 0.00 C ATOM 839 O MET A 59 -4.528 -7.556 -5.554 1.00 0.00 O ATOM 840 CB MET A 59 -6.464 -5.595 -7.350 1.00 0.00 C ATOM 841 CG MET A 59 -7.958 -5.715 -7.606 1.00 0.00 C ATOM 842 SD MET A 59 -8.460 -7.401 -8.005 1.00 0.00 S ATOM 843 CE MET A 59 -8.509 -8.135 -6.373 1.00 0.00 C ATOM 0 H MET A 59 -6.304 -3.670 -5.811 1.00 0.00 H new ATOM 0 HA MET A 59 -6.787 -6.432 -5.398 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.120 -4.623 -7.703 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.941 -6.351 -7.937 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.502 -5.377 -6.724 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.237 -5.053 -8.426 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.035 -9.089 -6.419 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.492 -8.298 -6.017 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.030 -7.466 -5.689 1.00 0.00 H new ATOM 853 N SER A 60 -3.668 -5.507 -5.910 1.00 0.00 N ATOM 854 CA SER A 60 -2.282 -5.954 -5.829 1.00 0.00 C ATOM 855 C SER A 60 -1.354 -4.790 -5.501 1.00 0.00 C ATOM 856 O SER A 60 -1.784 -3.638 -5.437 1.00 0.00 O ATOM 857 CB SER A 60 -1.857 -6.605 -7.147 1.00 0.00 C ATOM 858 OG SER A 60 -2.182 -5.779 -8.252 1.00 0.00 O ATOM 0 H SER A 60 -3.779 -4.508 -6.083 1.00 0.00 H new ATOM 0 HA SER A 60 -2.209 -6.690 -5.028 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.784 -6.794 -7.133 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.349 -7.572 -7.254 1.00 0.00 H new ATOM 0 HG SER A 60 -1.899 -6.216 -9.082 1.00 0.00 H new ATOM 864 N ILE A 61 -0.078 -5.098 -5.293 1.00 0.00 N ATOM 865 CA ILE A 61 0.912 -4.078 -4.972 1.00 0.00 C ATOM 866 C ILE A 61 2.178 -4.261 -5.801 1.00 0.00 C ATOM 867 O ILE A 61 2.995 -5.137 -5.521 1.00 0.00 O ATOM 868 CB ILE A 61 1.283 -4.104 -3.477 1.00 0.00 C ATOM 869 CG1 ILE A 61 0.096 -3.646 -2.627 1.00 0.00 C ATOM 870 CG2 ILE A 61 2.497 -3.225 -3.217 1.00 0.00 C ATOM 871 CD1 ILE A 61 0.221 -4.016 -1.165 1.00 0.00 C ATOM 0 H ILE A 61 0.294 -6.046 -5.341 1.00 0.00 H new ATOM 0 HA ILE A 61 0.461 -3.115 -5.209 1.00 0.00 H new ATOM 0 HB ILE A 61 1.533 -5.127 -3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.006 -2.564 -2.712 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.818 -4.084 -3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.747 -3.254 -2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.343 -3.591 -3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.273 -2.199 -3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.655 -3.660 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.292 -5.099 -1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.117 -3.555 -0.748 1.00 0.00 H new ATOM 883 N ASN A 62 2.335 -3.426 -6.824 1.00 0.00 N ATOM 884 CA ASN A 62 3.503 -3.494 -7.694 1.00 0.00 C ATOM 885 C ASN A 62 3.592 -4.854 -8.380 1.00 0.00 C ATOM 886 O ASN A 62 4.680 -5.328 -8.703 1.00 0.00 O ATOM 887 CB ASN A 62 4.779 -3.230 -6.892 1.00 0.00 C ATOM 888 CG ASN A 62 5.055 -1.749 -6.714 1.00 0.00 C ATOM 889 OD1 ASN A 62 4.414 -0.907 -7.344 1.00 0.00 O ATOM 890 ND2 ASN A 62 6.012 -1.425 -5.853 1.00 0.00 N ATOM 0 H ASN A 62 1.668 -2.695 -7.070 1.00 0.00 H new ATOM 0 HA ASN A 62 3.399 -2.726 -8.461 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.693 -3.701 -5.913 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.625 -3.696 -7.397 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.242 -0.445 -5.691 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.517 -2.157 -5.353 1.00 0.00 H new ATOM 897 N GLY A 63 2.438 -5.477 -8.598 1.00 0.00 N ATOM 898 CA GLY A 63 2.407 -6.776 -9.245 1.00 0.00 C ATOM 899 C GLY A 63 2.324 -7.917 -8.250 1.00 0.00 C ATOM 900 O GLY A 63 2.571 -9.072 -8.596 1.00 0.00 O ATOM 0 H GLY A 63 1.524 -5.106 -8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.552 -6.823 -9.919 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.301 -6.895 -9.857 1.00 0.00 H new ATOM 904 N THR A 64 1.978 -7.593 -7.008 1.00 0.00 N ATOM 905 CA THR A 64 1.866 -8.598 -5.959 1.00 0.00 C ATOM 906 C THR A 64 0.416 -8.779 -5.522 1.00 0.00 C ATOM 907 O THR A 64 -0.150 -7.920 -4.846 1.00 0.00 O ATOM 908 CB THR A 64 2.717 -8.225 -4.730 1.00 0.00 C ATOM 909 OG1 THR A 64 4.012 -7.778 -5.149 1.00 0.00 O ATOM 910 CG2 THR A 64 2.864 -9.414 -3.793 1.00 0.00 C ATOM 0 H THR A 64 1.770 -6.642 -6.704 1.00 0.00 H new ATOM 0 HA THR A 64 2.236 -9.534 -6.378 1.00 0.00 H new ATOM 0 HB THR A 64 2.211 -7.421 -4.195 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.974 -6.823 -5.365 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.469 -9.127 -2.933 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.879 -9.734 -3.454 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.350 -10.235 -4.320 1.00 0.00 H new ATOM 918 N SER A 65 -0.179 -9.901 -5.913 1.00 0.00 N ATOM 919 CA SER A 65 -1.565 -10.192 -5.565 1.00 0.00 C ATOM 920 C SER A 65 -1.713 -10.408 -4.062 1.00 0.00 C ATOM 921 O SER A 65 -1.030 -11.246 -3.472 1.00 0.00 O ATOM 922 CB SER A 65 -2.053 -11.431 -6.319 1.00 0.00 C ATOM 923 OG SER A 65 -1.859 -11.286 -7.715 1.00 0.00 O ATOM 0 H SER A 65 0.277 -10.623 -6.471 1.00 0.00 H new ATOM 0 HA SER A 65 -2.174 -9.336 -5.854 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.518 -12.311 -5.964 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.110 -11.595 -6.110 1.00 0.00 H new ATOM 0 HG SER A 65 -2.177 -12.091 -8.175 1.00 0.00 H new ATOM 929 N LEU A 66 -2.610 -9.644 -3.447 1.00 0.00 N ATOM 930 CA LEU A 66 -2.849 -9.750 -2.012 1.00 0.00 C ATOM 931 C LEU A 66 -4.040 -10.659 -1.724 1.00 0.00 C ATOM 932 O LEU A 66 -4.437 -10.833 -0.572 1.00 0.00 O ATOM 933 CB LEU A 66 -3.095 -8.364 -1.412 1.00 0.00 C ATOM 934 CG LEU A 66 -2.151 -7.255 -1.878 1.00 0.00 C ATOM 935 CD1 LEU A 66 -2.593 -5.910 -1.323 1.00 0.00 C ATOM 936 CD2 LEU A 66 -0.720 -7.562 -1.460 1.00 0.00 C ATOM 0 H LEU A 66 -3.183 -8.945 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.962 -10.186 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.117 -8.065 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.025 -8.442 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.188 -7.206 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.909 -5.133 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.601 -5.686 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.586 -5.946 -0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.062 -6.762 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.667 -7.639 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.405 -8.505 -1.906 1.00 0.00 H new ATOM 948 N VAL A 67 -4.604 -11.239 -2.779 1.00 0.00 N ATOM 949 CA VAL A 67 -5.747 -12.133 -2.639 1.00 0.00 C ATOM 950 C VAL A 67 -5.432 -13.284 -1.690 1.00 0.00 C ATOM 951 O VAL A 67 -4.545 -14.095 -1.954 1.00 0.00 O ATOM 952 CB VAL A 67 -6.178 -12.709 -4.001 1.00 0.00 C ATOM 953 CG1 VAL A 67 -7.231 -13.790 -3.814 1.00 0.00 C ATOM 954 CG2 VAL A 67 -6.694 -11.602 -4.908 1.00 0.00 C ATOM 0 H VAL A 67 -4.288 -11.106 -3.740 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.564 -11.540 -2.228 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.308 -13.161 -4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.523 -14.185 -4.787 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.822 -14.595 -3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.104 -13.366 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.994 -12.027 -5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.552 -11.119 -4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.906 -10.866 -5.068 1.00 0.00 H new ATOM 964 N GLY A 68 -6.165 -13.348 -0.583 1.00 0.00 N ATOM 965 CA GLY A 68 -5.949 -14.403 0.390 1.00 0.00 C ATOM 966 C GLY A 68 -5.029 -13.975 1.515 1.00 0.00 C ATOM 967 O GLY A 68 -5.258 -14.313 2.677 1.00 0.00 O ATOM 0 H GLY A 68 -6.905 -12.688 -0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.908 -14.711 0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.525 -15.273 -0.111 1.00 0.00 H new ATOM 971 N LEU A 69 -3.983 -13.231 1.172 1.00 0.00 N ATOM 972 CA LEU A 69 -3.023 -12.757 2.162 1.00 0.00 C ATOM 973 C LEU A 69 -3.734 -12.080 3.329 1.00 0.00 C ATOM 974 O LEU A 69 -4.696 -11.332 3.153 1.00 0.00 O ATOM 975 CB LEU A 69 -2.035 -11.783 1.518 1.00 0.00 C ATOM 976 CG LEU A 69 -1.037 -12.393 0.533 1.00 0.00 C ATOM 977 CD1 LEU A 69 0.051 -11.390 0.184 1.00 0.00 C ATOM 978 CD2 LEU A 69 -0.429 -13.664 1.107 1.00 0.00 C ATOM 0 H LEU A 69 -3.778 -12.943 0.215 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.477 -13.619 2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.603 -11.011 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.475 -11.287 2.311 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.571 -12.651 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.751 -11.843 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.400 -10.508 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.582 -11.099 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.279 -14.084 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.090 -13.431 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.219 -14.389 1.304 1.00 0.00 H new ATOM 990 N PRO A 70 -3.250 -12.344 4.552 1.00 0.00 N ATOM 991 CA PRO A 70 -3.822 -11.768 5.772 1.00 0.00 C ATOM 992 C PRO A 70 -3.558 -10.271 5.885 1.00 0.00 C ATOM 993 O PRO A 70 -2.626 -9.746 5.274 1.00 0.00 O ATOM 994 CB PRO A 70 -3.103 -12.524 6.892 1.00 0.00 C ATOM 995 CG PRO A 70 -1.813 -12.960 6.288 1.00 0.00 C ATOM 996 CD PRO A 70 -2.105 -13.226 4.837 1.00 0.00 C ATOM 0 HA PRO A 70 -4.907 -11.868 5.800 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.938 -11.884 7.759 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.689 -13.378 7.233 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.050 -12.189 6.398 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.434 -13.856 6.781 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.249 -12.990 4.205 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.351 -14.273 4.662 1.00 0.00 H new ATOM 1004 N LEU A 71 -4.384 -9.587 6.669 1.00 0.00 N ATOM 1005 CA LEU A 71 -4.240 -8.148 6.863 1.00 0.00 C ATOM 1006 C LEU A 71 -2.852 -7.807 7.395 1.00 0.00 C ATOM 1007 O LEU A 71 -2.305 -6.745 7.097 1.00 0.00 O ATOM 1008 CB LEU A 71 -5.309 -7.634 7.828 1.00 0.00 C ATOM 1009 CG LEU A 71 -5.088 -6.228 8.387 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.058 -5.204 7.263 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -6.170 -5.880 9.399 1.00 0.00 C ATOM 0 H LEU A 71 -5.161 -10.006 7.181 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.368 -7.661 5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.271 -7.653 7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.379 -8.329 8.665 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.123 -6.208 8.894 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.900 -4.210 7.681 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.246 -5.442 6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.006 -5.225 6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.997 -4.876 9.786 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.146 -5.919 8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.143 -6.595 10.221 1.00 0.00 H new ATOM 1023 N SER A 72 -2.285 -8.716 8.183 1.00 0.00 N ATOM 1024 CA SER A 72 -0.961 -8.510 8.758 1.00 0.00 C ATOM 1025 C SER A 72 0.118 -8.602 7.683 1.00 0.00 C ATOM 1026 O SER A 72 1.020 -7.766 7.619 1.00 0.00 O ATOM 1027 CB SER A 72 -0.693 -9.542 9.855 1.00 0.00 C ATOM 1028 OG SER A 72 -0.861 -10.862 9.367 1.00 0.00 O ATOM 0 H SER A 72 -2.722 -9.602 8.437 1.00 0.00 H new ATOM 0 HA SER A 72 -0.932 -7.511 9.193 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.321 -9.418 10.235 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.370 -9.372 10.692 1.00 0.00 H new ATOM 0 HG SER A 72 -0.682 -11.502 10.087 1.00 0.00 H new ATOM 1034 N THR A 73 0.019 -9.625 6.839 1.00 0.00 N ATOM 1035 CA THR A 73 0.985 -9.828 5.768 1.00 0.00 C ATOM 1036 C THR A 73 0.910 -8.706 4.739 1.00 0.00 C ATOM 1037 O THR A 73 1.912 -8.055 4.441 1.00 0.00 O ATOM 1038 CB THR A 73 0.762 -11.177 5.058 1.00 0.00 C ATOM 1039 OG1 THR A 73 1.114 -12.255 5.932 1.00 0.00 O ATOM 1040 CG2 THR A 73 1.587 -11.260 3.783 1.00 0.00 C ATOM 0 H THR A 73 -0.721 -10.326 6.877 1.00 0.00 H new ATOM 0 HA THR A 73 1.972 -9.828 6.230 1.00 0.00 H new ATOM 0 HB THR A 73 -0.293 -11.254 4.795 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.968 -13.109 5.474 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.413 -12.221 3.299 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.295 -10.456 3.108 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.645 -11.163 4.027 1.00 0.00 H new ATOM 1048 N CYS A 74 -0.284 -8.485 4.199 1.00 0.00 N ATOM 1049 CA CYS A 74 -0.490 -7.440 3.202 1.00 0.00 C ATOM 1050 C CYS A 74 0.119 -6.120 3.663 1.00 0.00 C ATOM 1051 O CYS A 74 0.773 -5.423 2.888 1.00 0.00 O ATOM 1052 CB CYS A 74 -1.983 -7.258 2.924 1.00 0.00 C ATOM 1053 SG CYS A 74 -2.840 -8.783 2.467 1.00 0.00 S ATOM 0 H CYS A 74 -1.123 -9.015 4.435 1.00 0.00 H new ATOM 0 HA CYS A 74 0.008 -7.747 2.282 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.458 -6.839 3.811 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.106 -6.530 2.122 1.00 0.00 H new ATOM 0 HG CYS A 74 -3.031 -9.509 3.529 1.00 0.00 H new ATOM 1059 N GLN A 75 -0.104 -5.783 4.930 1.00 0.00 N ATOM 1060 CA GLN A 75 0.421 -4.545 5.493 1.00 0.00 C ATOM 1061 C GLN A 75 1.939 -4.485 5.357 1.00 0.00 C ATOM 1062 O GLN A 75 2.491 -3.490 4.887 1.00 0.00 O ATOM 1063 CB GLN A 75 0.024 -4.422 6.965 1.00 0.00 C ATOM 1064 CG GLN A 75 -1.392 -3.910 7.173 1.00 0.00 C ATOM 1065 CD GLN A 75 -1.780 -3.843 8.637 1.00 0.00 C ATOM 1066 OE1 GLN A 75 -1.071 -4.358 9.503 1.00 0.00 O ATOM 1067 NE2 GLN A 75 -2.910 -3.207 8.922 1.00 0.00 N ATOM 0 H GLN A 75 -0.644 -6.349 5.585 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.008 -3.712 4.937 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.122 -5.397 7.442 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.721 -3.750 7.466 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.484 -2.918 6.731 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.090 -4.560 6.646 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.466 -2.795 8.173 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.222 -3.130 9.890 1.00 0.00 H new ATOM 1076 N SER A 76 2.608 -5.556 5.770 1.00 0.00 N ATOM 1077 CA SER A 76 4.063 -5.624 5.698 1.00 0.00 C ATOM 1078 C SER A 76 4.555 -5.262 4.300 1.00 0.00 C ATOM 1079 O SER A 76 5.485 -4.470 4.144 1.00 0.00 O ATOM 1080 CB SER A 76 4.549 -7.025 6.075 1.00 0.00 C ATOM 1081 OG SER A 76 5.916 -7.007 6.448 1.00 0.00 O ATOM 0 H SER A 76 2.166 -6.389 6.158 1.00 0.00 H new ATOM 0 HA SER A 76 4.471 -4.903 6.406 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.949 -7.412 6.899 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.408 -7.702 5.232 1.00 0.00 H new ATOM 0 HG SER A 76 6.202 -7.914 6.686 1.00 0.00 H new ATOM 1087 N ILE A 77 3.924 -5.847 3.288 1.00 0.00 N ATOM 1088 CA ILE A 77 4.296 -5.585 1.903 1.00 0.00 C ATOM 1089 C ILE A 77 4.201 -4.098 1.579 1.00 0.00 C ATOM 1090 O ILE A 77 4.935 -3.589 0.732 1.00 0.00 O ATOM 1091 CB ILE A 77 3.405 -6.371 0.923 1.00 0.00 C ATOM 1092 CG1 ILE A 77 3.432 -7.863 1.258 1.00 0.00 C ATOM 1093 CG2 ILE A 77 3.858 -6.136 -0.510 1.00 0.00 C ATOM 1094 CD1 ILE A 77 2.282 -8.639 0.656 1.00 0.00 C ATOM 0 H ILE A 77 3.153 -6.505 3.401 1.00 0.00 H new ATOM 0 HA ILE A 77 5.329 -5.914 1.786 1.00 0.00 H new ATOM 0 HB ILE A 77 2.380 -6.015 1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.371 -8.289 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.414 -7.984 2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.219 -6.698 -1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.791 -5.073 -0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.890 -6.468 -0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.366 -9.689 0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.339 -8.239 1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.311 -8.549 -0.430 1.00 0.00 H new ATOM 1106 N ILE A 78 3.293 -3.407 2.261 1.00 0.00 N ATOM 1107 CA ILE A 78 3.104 -1.978 2.048 1.00 0.00 C ATOM 1108 C ILE A 78 4.108 -1.164 2.856 1.00 0.00 C ATOM 1109 O ILE A 78 4.389 -0.009 2.537 1.00 0.00 O ATOM 1110 CB ILE A 78 1.678 -1.536 2.427 1.00 0.00 C ATOM 1111 CG1 ILE A 78 0.649 -2.250 1.549 1.00 0.00 C ATOM 1112 CG2 ILE A 78 1.539 -0.026 2.294 1.00 0.00 C ATOM 1113 CD1 ILE A 78 -0.726 -2.334 2.176 1.00 0.00 C ATOM 0 H ILE A 78 2.677 -3.814 2.965 1.00 0.00 H new ATOM 0 HA ILE A 78 3.262 -1.794 0.985 1.00 0.00 H new ATOM 0 HB ILE A 78 1.493 -1.809 3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.573 -1.729 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.004 -3.258 1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.526 0.271 2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.251 0.465 2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.740 0.269 1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.404 -2.852 1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.664 -2.882 3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.101 -1.328 2.366 1.00 0.00 H new ATOM 1125 N LYS A 79 4.648 -1.775 3.905 1.00 0.00 N ATOM 1126 CA LYS A 79 5.625 -1.110 4.760 1.00 0.00 C ATOM 1127 C LYS A 79 6.978 -1.007 4.062 1.00 0.00 C ATOM 1128 O LYS A 79 7.752 -0.086 4.320 1.00 0.00 O ATOM 1129 CB LYS A 79 5.777 -1.867 6.081 1.00 0.00 C ATOM 1130 CG LYS A 79 4.704 -1.529 7.102 1.00 0.00 C ATOM 1131 CD LYS A 79 4.686 -2.531 8.244 1.00 0.00 C ATOM 1132 CE LYS A 79 3.388 -2.454 9.033 1.00 0.00 C ATOM 1133 NZ LYS A 79 3.439 -3.284 10.268 1.00 0.00 N ATOM 0 H LYS A 79 4.425 -2.731 4.184 1.00 0.00 H new ATOM 0 HA LYS A 79 5.264 -0.102 4.966 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.752 -2.938 5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.755 -1.645 6.507 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.879 -0.528 7.497 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.729 -1.513 6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.813 -3.538 7.847 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.529 -2.342 8.909 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.187 -1.417 9.301 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.561 -2.787 8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.536 -3.204 10.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.606 -4.278 10.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.211 -2.950 10.879 1.00 0.00 H new ATOM 1147 N GLY A 80 7.255 -1.958 3.176 1.00 0.00 N ATOM 1148 CA GLY A 80 8.514 -1.955 2.454 1.00 0.00 C ATOM 1149 C GLY A 80 8.502 -1.009 1.270 1.00 0.00 C ATOM 1150 O GLY A 80 9.305 -1.146 0.347 1.00 0.00 O ATOM 0 H GLY A 80 6.630 -2.731 2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.318 -1.671 3.133 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.732 -2.965 2.106 1.00 0.00 H new ATOM 1154 N LEU A 81 7.587 -0.045 1.295 1.00 0.00 N ATOM 1155 CA LEU A 81 7.471 0.928 0.214 1.00 0.00 C ATOM 1156 C LEU A 81 8.049 2.276 0.632 1.00 0.00 C ATOM 1157 O LEU A 81 8.142 3.201 -0.176 1.00 0.00 O ATOM 1158 CB LEU A 81 6.007 1.092 -0.196 1.00 0.00 C ATOM 1159 CG LEU A 81 5.217 -0.202 -0.396 1.00 0.00 C ATOM 1160 CD1 LEU A 81 3.839 0.097 -0.966 1.00 0.00 C ATOM 1161 CD2 LEU A 81 5.977 -1.156 -1.306 1.00 0.00 C ATOM 0 H LEU A 81 6.915 0.083 2.052 1.00 0.00 H new ATOM 0 HA LEU A 81 8.040 0.558 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.502 1.688 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.972 1.663 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 81 5.090 -0.681 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.291 -0.836 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.293 0.742 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.944 0.599 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.400 -2.071 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.135 -0.685 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.941 -1.396 -0.858 1.00 0.00 H new ATOM 1173 N LYS A 82 8.437 2.381 1.898 1.00 0.00 N ATOM 1174 CA LYS A 82 9.008 3.615 2.424 1.00 0.00 C ATOM 1175 C LYS A 82 10.224 4.042 1.608 1.00 0.00 C ATOM 1176 O LYS A 82 10.448 5.232 1.387 1.00 0.00 O ATOM 1177 CB LYS A 82 9.404 3.434 3.891 1.00 0.00 C ATOM 1178 CG LYS A 82 10.346 4.508 4.405 1.00 0.00 C ATOM 1179 CD LYS A 82 10.961 4.120 5.739 1.00 0.00 C ATOM 1180 CE LYS A 82 10.063 4.513 6.902 1.00 0.00 C ATOM 1181 NZ LYS A 82 10.396 3.757 8.141 1.00 0.00 N ATOM 0 H LYS A 82 8.366 1.625 2.580 1.00 0.00 H new ATOM 0 HA LYS A 82 8.251 4.396 2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.503 3.430 4.504 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.877 2.459 4.013 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.137 4.679 3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.804 5.447 4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.137 3.044 5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.932 4.604 5.848 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.161 5.582 7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.022 4.331 6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.762 4.054 8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.278 2.738 7.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.382 3.950 8.411 1.00 0.00 H new ATOM 1195 N ASN A 83 11.006 3.064 1.162 1.00 0.00 N ATOM 1196 CA ASN A 83 12.198 3.339 0.370 1.00 0.00 C ATOM 1197 C ASN A 83 11.861 3.406 -1.117 1.00 0.00 C ATOM 1198 O ASN A 83 12.752 3.436 -1.964 1.00 0.00 O ATOM 1199 CB ASN A 83 13.259 2.264 0.616 1.00 0.00 C ATOM 1200 CG ASN A 83 14.667 2.776 0.378 1.00 0.00 C ATOM 1201 OD1 ASN A 83 14.887 3.657 -0.453 1.00 0.00 O ATOM 1202 ND2 ASN A 83 15.628 2.224 1.109 1.00 0.00 N ATOM 0 H ASN A 83 10.835 2.074 1.336 1.00 0.00 H new ATOM 0 HA ASN A 83 12.593 4.307 0.679 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.175 1.902 1.641 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.069 1.413 -0.039 1.00 0.00 H new ATOM 0 HD21 ASN A 83 16.595 2.528 0.993 1.00 0.00 H new ATOM 0 HD22 ASN A 83 15.399 1.496 1.786 1.00 0.00 H new ATOM 1209 N GLN A 84 10.568 3.429 -1.423 1.00 0.00 N ATOM 1210 CA GLN A 84 10.112 3.491 -2.807 1.00 0.00 C ATOM 1211 C GLN A 84 9.291 4.753 -3.053 1.00 0.00 C ATOM 1212 O GLN A 84 8.126 4.832 -2.666 1.00 0.00 O ATOM 1213 CB GLN A 84 9.282 2.253 -3.150 1.00 0.00 C ATOM 1214 CG GLN A 84 9.955 0.945 -2.769 1.00 0.00 C ATOM 1215 CD GLN A 84 9.557 -0.202 -3.677 1.00 0.00 C ATOM 1216 OE1 GLN A 84 8.644 -0.075 -4.492 1.00 0.00 O ATOM 1217 NE2 GLN A 84 10.243 -1.331 -3.540 1.00 0.00 N ATOM 0 H GLN A 84 9.818 3.406 -0.732 1.00 0.00 H new ATOM 0 HA GLN A 84 10.991 3.519 -3.451 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.320 2.319 -2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.077 2.248 -4.221 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.037 1.073 -2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.698 0.695 -1.740 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.993 -1.392 -2.851 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.020 -2.137 -4.124 1.00 0.00 H new ATOM 1226 N SER A 85 9.907 5.737 -3.700 1.00 0.00 N ATOM 1227 CA SER A 85 9.235 6.997 -3.994 1.00 0.00 C ATOM 1228 C SER A 85 7.981 6.761 -4.832 1.00 0.00 C ATOM 1229 O SER A 85 6.877 7.134 -4.435 1.00 0.00 O ATOM 1230 CB SER A 85 10.183 7.946 -4.731 1.00 0.00 C ATOM 1231 OG SER A 85 10.871 7.273 -5.771 1.00 0.00 O ATOM 0 H SER A 85 10.871 5.686 -4.031 1.00 0.00 H new ATOM 0 HA SER A 85 8.940 7.452 -3.049 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.618 8.781 -5.145 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.902 8.366 -4.027 1.00 0.00 H new ATOM 0 HG SER A 85 11.469 7.901 -6.228 1.00 0.00 H new ATOM 1237 N ARG A 86 8.161 6.140 -5.993 1.00 0.00 N ATOM 1238 CA ARG A 86 7.046 5.854 -6.887 1.00 0.00 C ATOM 1239 C ARG A 86 6.639 4.387 -6.798 1.00 0.00 C ATOM 1240 O ARG A 86 7.359 3.502 -7.262 1.00 0.00 O ATOM 1241 CB ARG A 86 7.419 6.205 -8.329 1.00 0.00 C ATOM 1242 CG ARG A 86 6.235 6.200 -9.283 1.00 0.00 C ATOM 1243 CD ARG A 86 6.477 7.112 -10.475 1.00 0.00 C ATOM 1244 NE ARG A 86 5.331 7.145 -11.380 1.00 0.00 N ATOM 1245 CZ ARG A 86 5.143 8.091 -12.294 1.00 0.00 C ATOM 1246 NH1 ARG A 86 6.020 9.077 -12.422 1.00 0.00 N ATOM 1247 NH2 ARG A 86 4.076 8.052 -13.081 1.00 0.00 N ATOM 0 H ARG A 86 9.068 5.825 -6.336 1.00 0.00 H new ATOM 0 HA ARG A 86 6.199 6.466 -6.578 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.884 7.191 -8.345 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.165 5.495 -8.686 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.052 5.184 -9.632 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.338 6.522 -8.753 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.690 8.121 -10.122 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.359 6.772 -11.019 1.00 0.00 H new ATOM 0 HE ARG A 86 4.637 6.401 -11.306 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.841 9.111 -11.818 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.873 9.802 -13.124 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.399 7.295 -12.985 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.933 8.779 -13.782 1.00 0.00 H new ATOM 1261 N VAL A 87 5.480 4.135 -6.198 1.00 0.00 N ATOM 1262 CA VAL A 87 4.976 2.775 -6.048 1.00 0.00 C ATOM 1263 C VAL A 87 3.667 2.587 -6.806 1.00 0.00 C ATOM 1264 O VAL A 87 2.758 3.412 -6.711 1.00 0.00 O ATOM 1265 CB VAL A 87 4.755 2.418 -4.566 1.00 0.00 C ATOM 1266 CG1 VAL A 87 4.477 0.931 -4.410 1.00 0.00 C ATOM 1267 CG2 VAL A 87 5.958 2.834 -3.733 1.00 0.00 C ATOM 0 H VAL A 87 4.872 4.855 -5.808 1.00 0.00 H new ATOM 0 HA VAL A 87 5.732 2.110 -6.465 1.00 0.00 H new ATOM 0 HB VAL A 87 3.884 2.965 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.324 0.698 -3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.582 0.667 -4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.326 0.361 -4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.785 2.574 -2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.847 2.316 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.106 3.910 -3.819 1.00 0.00 H new ATOM 1277 N LYS A 88 3.576 1.495 -7.558 1.00 0.00 N ATOM 1278 CA LYS A 88 2.377 1.196 -8.331 1.00 0.00 C ATOM 1279 C LYS A 88 1.474 0.222 -7.581 1.00 0.00 C ATOM 1280 O LYS A 88 1.930 -0.815 -7.096 1.00 0.00 O ATOM 1281 CB LYS A 88 2.757 0.610 -9.693 1.00 0.00 C ATOM 1282 CG LYS A 88 1.567 0.108 -10.493 1.00 0.00 C ATOM 1283 CD LYS A 88 2.002 -0.513 -11.810 1.00 0.00 C ATOM 1284 CE LYS A 88 1.001 -1.551 -12.293 1.00 0.00 C ATOM 1285 NZ LYS A 88 1.043 -1.714 -13.773 1.00 0.00 N ATOM 0 H LYS A 88 4.319 0.802 -7.648 1.00 0.00 H new ATOM 0 HA LYS A 88 1.831 2.127 -8.482 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.279 1.371 -10.273 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.456 -0.213 -9.543 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.018 -0.628 -9.906 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.884 0.935 -10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.111 0.267 -12.563 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.980 -0.978 -11.689 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.211 -2.508 -11.816 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.003 -1.257 -11.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.347 -2.430 -14.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.818 -0.807 -14.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.994 -2.019 -14.062 1.00 0.00 H new ATOM 1299 N LEU A 89 0.193 0.560 -7.491 1.00 0.00 N ATOM 1300 CA LEU A 89 -0.775 -0.286 -6.801 1.00 0.00 C ATOM 1301 C LEU A 89 -2.112 -0.295 -7.535 1.00 0.00 C ATOM 1302 O LEU A 89 -2.544 0.725 -8.070 1.00 0.00 O ATOM 1303 CB LEU A 89 -0.973 0.199 -5.364 1.00 0.00 C ATOM 1304 CG LEU A 89 0.235 0.873 -4.710 1.00 0.00 C ATOM 1305 CD1 LEU A 89 -0.217 1.871 -3.656 1.00 0.00 C ATOM 1306 CD2 LEU A 89 1.161 -0.169 -4.099 1.00 0.00 C ATOM 0 H LEU A 89 -0.200 1.414 -7.887 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.384 -1.303 -6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.807 0.901 -5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.264 -0.654 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 89 0.787 1.413 -5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.655 2.340 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.839 2.635 -4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.792 1.354 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.015 0.328 -3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.620 -0.737 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.512 -0.845 -4.878 1.00 0.00 H new ATOM 1318 N ASN A 90 -2.762 -1.454 -7.555 1.00 0.00 N ATOM 1319 CA ASN A 90 -4.051 -1.596 -8.222 1.00 0.00 C ATOM 1320 C ASN A 90 -5.199 -1.433 -7.229 1.00 0.00 C ATOM 1321 O ASN A 90 -5.355 -2.237 -6.310 1.00 0.00 O ATOM 1322 CB ASN A 90 -4.146 -2.959 -8.910 1.00 0.00 C ATOM 1323 CG ASN A 90 -5.143 -2.962 -10.053 1.00 0.00 C ATOM 1324 OD1 ASN A 90 -6.062 -2.004 -10.039 1.00 0.00 O flip ATOM 1325 ND2 ASN A 90 -5.086 -3.815 -10.938 1.00 0.00 N flip ATOM 0 H ASN A 90 -2.417 -2.308 -7.117 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.131 -0.811 -8.974 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.163 -3.241 -9.288 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.435 -3.713 -8.178 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.362 -4.533 -10.908 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.763 -3.804 -11.701 1.00 0.00 H new ATOM 1332 N ILE A 91 -5.998 -0.390 -7.422 1.00 0.00 N ATOM 1333 CA ILE A 91 -7.131 -0.124 -6.545 1.00 0.00 C ATOM 1334 C ILE A 91 -8.449 -0.468 -7.231 1.00 0.00 C ATOM 1335 O ILE A 91 -8.593 -0.304 -8.442 1.00 0.00 O ATOM 1336 CB ILE A 91 -7.166 1.351 -6.102 1.00 0.00 C ATOM 1337 CG1 ILE A 91 -5.809 1.767 -5.531 1.00 0.00 C ATOM 1338 CG2 ILE A 91 -8.268 1.570 -5.077 1.00 0.00 C ATOM 1339 CD1 ILE A 91 -5.459 1.069 -4.236 1.00 0.00 C ATOM 0 H ILE A 91 -5.882 0.285 -8.178 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.005 -0.756 -5.666 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.378 1.972 -6.973 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.034 1.557 -6.268 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.808 2.844 -5.365 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.280 2.617 -4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.231 1.308 -5.516 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.084 0.942 -4.205 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.484 1.412 -3.889 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.213 1.299 -3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.427 -0.008 -4.400 1.00 0.00 H new ATOM 1351 N VAL A 92 -9.411 -0.946 -6.446 1.00 0.00 N ATOM 1352 CA VAL A 92 -10.719 -1.311 -6.976 1.00 0.00 C ATOM 1353 C VAL A 92 -11.823 -1.012 -5.969 1.00 0.00 C ATOM 1354 O VAL A 92 -11.929 -1.673 -4.935 1.00 0.00 O ATOM 1355 CB VAL A 92 -10.774 -2.803 -7.356 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -12.177 -3.189 -7.799 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -9.757 -3.114 -8.443 1.00 0.00 C ATOM 0 H VAL A 92 -9.308 -1.089 -5.441 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.877 -0.710 -7.872 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.521 -3.394 -6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.197 -4.246 -8.064 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.879 -3.005 -6.986 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.462 -2.593 -8.666 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.810 -4.172 -8.699 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.975 -2.516 -9.327 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.756 -2.877 -8.083 1.00 0.00 H new ATOM 1367 N SER A 93 -12.644 -0.013 -6.277 1.00 0.00 N ATOM 1368 CA SER A 93 -13.739 0.375 -5.396 1.00 0.00 C ATOM 1369 C SER A 93 -14.355 -0.847 -4.722 1.00 0.00 C ATOM 1370 O SER A 93 -14.833 -1.763 -5.390 1.00 0.00 O ATOM 1371 CB SER A 93 -14.811 1.131 -6.184 1.00 0.00 C ATOM 1372 OG SER A 93 -16.083 0.998 -5.572 1.00 0.00 O ATOM 0 H SER A 93 -12.572 0.542 -7.130 1.00 0.00 H new ATOM 0 HA SER A 93 -13.336 1.029 -4.623 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.543 2.186 -6.248 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.853 0.750 -7.204 1.00 0.00 H new ATOM 0 HG SER A 93 -16.750 1.491 -6.094 1.00 0.00 H new ATOM 1378 N GLY A 94 -14.338 -0.854 -3.393 1.00 0.00 N ATOM 1379 CA GLY A 94 -14.897 -1.968 -2.649 1.00 0.00 C ATOM 1380 C GLY A 94 -16.344 -2.238 -3.010 1.00 0.00 C ATOM 1381 O GLY A 94 -16.835 -1.815 -4.057 1.00 0.00 O ATOM 0 H GLY A 94 -13.947 -0.108 -2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.305 -2.863 -2.841 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.825 -1.761 -1.581 1.00 0.00 H new ATOM 1385 N PRO A 95 -17.052 -2.961 -2.130 1.00 0.00 N ATOM 1386 CA PRO A 95 -18.462 -3.305 -2.340 1.00 0.00 C ATOM 1387 C PRO A 95 -19.377 -2.091 -2.228 1.00 0.00 C ATOM 1388 O PRO A 95 -20.592 -2.201 -2.390 1.00 0.00 O ATOM 1389 CB PRO A 95 -18.755 -4.301 -1.215 1.00 0.00 C ATOM 1390 CG PRO A 95 -17.769 -3.971 -0.149 1.00 0.00 C ATOM 1391 CD PRO A 95 -16.532 -3.498 -0.861 1.00 0.00 C ATOM 0 HA PRO A 95 -18.640 -3.704 -3.339 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -19.778 -4.199 -0.853 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -18.639 -5.329 -1.557 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -18.156 -3.198 0.515 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -17.555 -4.844 0.468 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -16.006 -2.735 -0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.828 -4.313 -1.028 1.00 0.00 H new ATOM 1399 N SER A 96 -18.786 -0.933 -1.950 1.00 0.00 N ATOM 1400 CA SER A 96 -19.550 0.302 -1.813 1.00 0.00 C ATOM 1401 C SER A 96 -20.466 0.510 -3.015 1.00 0.00 C ATOM 1402 O SER A 96 -20.323 -0.155 -4.041 1.00 0.00 O ATOM 1403 CB SER A 96 -18.606 1.496 -1.663 1.00 0.00 C ATOM 1404 OG SER A 96 -17.907 1.443 -0.432 1.00 0.00 O ATOM 0 H SER A 96 -17.781 -0.824 -1.815 1.00 0.00 H new ATOM 0 HA SER A 96 -20.167 0.222 -0.918 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.894 1.507 -2.489 1.00 0.00 H new ATOM 0 HB3 SER A 96 -19.176 2.423 -1.721 1.00 0.00 H new ATOM 0 HG SER A 96 -17.309 2.216 -0.362 1.00 0.00 H new ATOM 1410 N SER A 97 -21.407 1.439 -2.880 1.00 0.00 N ATOM 1411 CA SER A 97 -22.350 1.734 -3.953 1.00 0.00 C ATOM 1412 C SER A 97 -22.564 3.238 -4.090 1.00 0.00 C ATOM 1413 O SER A 97 -23.040 3.895 -3.165 1.00 0.00 O ATOM 1414 CB SER A 97 -23.687 1.038 -3.690 1.00 0.00 C ATOM 1415 OG SER A 97 -24.439 0.912 -4.885 1.00 0.00 O ATOM 0 H SER A 97 -21.537 2.000 -2.038 1.00 0.00 H new ATOM 0 HA SER A 97 -21.930 1.359 -4.886 1.00 0.00 H new ATOM 0 HB2 SER A 97 -23.509 0.051 -3.262 1.00 0.00 H new ATOM 0 HB3 SER A 97 -24.258 1.606 -2.955 1.00 0.00 H new ATOM 0 HG SER A 97 -25.288 0.463 -4.691 1.00 0.00 H new ATOM 1421 N GLY A 98 -22.207 3.777 -5.252 1.00 0.00 N ATOM 1422 CA GLY A 98 -22.367 5.199 -5.490 1.00 0.00 C ATOM 1423 C GLY A 98 -23.633 5.753 -4.867 1.00 0.00 C ATOM 1424 O GLY A 98 -23.577 6.633 -4.008 1.00 0.00 O ATOM 0 H GLY A 98 -21.810 3.254 -6.032 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -21.505 5.731 -5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -22.383 5.385 -6.564 1.00 0.00 H new TER 1428 GLY A 98