USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 606 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 79 SER OG : rot -114:sc= 0.151 USER MOD Set 1.2: A 81 SER OG : rot 180:sc= 0.161 USER MOD Single : A 59 MET CE :methyl -144:sc= 0 (180deg=-1.59!) USER MOD Single : A 60 THR OG1 : rot -160:sc= -0.356 USER MOD Single : A 63 MET CE :methyl -157:sc= -0.163 (180deg=-0.806) USER MOD Single : A 65 THR OG1 : rot 180:sc= -1.53! USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= -0.0154 (180deg=-0.177) USER MOD Single : A 68 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.74) USER MOD Single : A 70 SER OG : rot -103:sc= 1.15 USER MOD Single : A 71 LYS NZ :NH3+ -170:sc=-0.00799 (180deg=-0.13) USER MOD Single : A 72 ASN : amide:sc= -0.254 K(o=-0.25,f=-0.96!) USER MOD Single : A 74 SER OG : rot -101:sc= 1.13 USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0131) USER MOD Single : A 76 MET CE :methyl 174:sc= -0.0486 (180deg=-0.169) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.069 X(o=-0.069,f=-0.16) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 88:sc= 0.0116 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 140:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0343 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0623 USER MOD Single : A 102 THR OG1 : rot -103:sc= 0.776 USER MOD Single : A 103 MET CE :methyl -119:sc= -0.667 (180deg=-1.79!) USER MOD Single : A 108 LYS NZ :NH3+ -125:sc= -0.698 (180deg=-2.3!) USER MOD Single : A 109 THR OG1 : rot 180:sc= -1.73! USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc=-0.00876 X(o=-0.0088,f=0) USER MOD Single : A 115 MET CE :methyl 160:sc= 0 (180deg=-0.705) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00071) USER MOD ----------------------------------------------------------------- ATOM 16 N MET A 59 9.849 5.227 2.483 1.00 0.25 N ATOM 17 CA MET A 59 8.757 4.400 1.964 1.00 0.17 C ATOM 18 C MET A 59 7.789 5.207 1.086 1.00 0.20 C ATOM 19 O MET A 59 7.136 6.127 1.551 1.00 0.29 O ATOM 20 CB MET A 59 8.005 3.724 3.121 1.00 0.16 C ATOM 21 CG MET A 59 7.669 4.653 4.283 1.00 0.25 C ATOM 22 SD MET A 59 6.966 3.772 5.693 1.00 0.75 S ATOM 23 CE MET A 59 6.623 5.128 6.809 1.00 0.59 C ATOM 0 HA MET A 59 9.199 3.631 1.331 1.00 0.17 H new ATOM 0 HB2 MET A 59 7.080 3.295 2.736 1.00 0.16 H new ATOM 0 HB3 MET A 59 8.608 2.897 3.496 1.00 0.16 H new ATOM 0 HG2 MET A 59 8.572 5.175 4.599 1.00 0.25 H new ATOM 0 HG3 MET A 59 6.964 5.412 3.945 1.00 0.25 H new ATOM 0 HE1 MET A 59 6.806 4.810 7.835 1.00 0.59 H new ATOM 0 HE2 MET A 59 7.272 5.970 6.569 1.00 0.59 H new ATOM 0 HE3 MET A 59 5.581 5.431 6.704 1.00 0.59 H new ATOM 33 N THR A 60 7.722 4.845 -0.191 1.00 0.19 N ATOM 34 CA THR A 60 6.844 5.492 -1.165 1.00 0.22 C ATOM 35 C THR A 60 5.378 5.213 -0.858 1.00 0.18 C ATOM 36 O THR A 60 4.981 4.066 -0.700 1.00 0.17 O ATOM 37 CB THR A 60 7.172 4.994 -2.586 1.00 0.29 C ATOM 38 OG1 THR A 60 8.521 5.358 -2.918 1.00 0.37 O ATOM 39 CG2 THR A 60 6.199 5.556 -3.616 1.00 0.34 C ATOM 0 H THR A 60 8.280 4.087 -0.585 1.00 0.19 H new ATOM 0 HA THR A 60 7.013 6.567 -1.103 1.00 0.22 H new ATOM 0 HB THR A 60 7.071 3.909 -2.603 1.00 0.29 H new ATOM 0 HG1 THR A 60 8.635 5.338 -3.891 1.00 0.37 H new ATOM 0 HG21 THR A 60 6.462 5.183 -4.606 1.00 0.34 H new ATOM 0 HG22 THR A 60 5.185 5.243 -3.367 1.00 0.34 H new ATOM 0 HG23 THR A 60 6.254 6.645 -3.612 1.00 0.34 H new ATOM 47 N ARG A 61 4.579 6.258 -0.805 1.00 0.20 N ATOM 48 CA ARG A 61 3.206 6.139 -0.355 1.00 0.18 C ATOM 49 C ARG A 61 2.250 6.034 -1.547 1.00 0.17 C ATOM 50 O ARG A 61 2.200 6.926 -2.377 1.00 0.18 O ATOM 51 CB ARG A 61 2.885 7.362 0.497 1.00 0.22 C ATOM 52 CG ARG A 61 1.777 7.154 1.509 1.00 0.33 C ATOM 53 CD ARG A 61 1.549 8.422 2.315 1.00 0.42 C ATOM 54 NE ARG A 61 1.057 8.142 3.663 1.00 0.84 N ATOM 55 CZ ARG A 61 0.189 8.917 4.310 1.00 1.13 C ATOM 56 NH1 ARG A 61 -0.306 9.997 3.722 1.00 1.32 N ATOM 57 NH2 ARG A 61 -0.181 8.620 5.548 1.00 1.91 N ATOM 0 H ARG A 61 4.857 7.203 -1.069 1.00 0.20 H new ATOM 0 HA ARG A 61 3.081 5.231 0.235 1.00 0.18 H new ATOM 0 HB2 ARG A 61 3.788 7.668 1.025 1.00 0.22 H new ATOM 0 HB3 ARG A 61 2.607 8.185 -0.162 1.00 0.22 H new ATOM 0 HG2 ARG A 61 0.857 6.871 0.997 1.00 0.33 H new ATOM 0 HG3 ARG A 61 2.036 6.333 2.177 1.00 0.33 H new ATOM 0 HD2 ARG A 61 2.482 8.981 2.380 1.00 0.42 H new ATOM 0 HD3 ARG A 61 0.833 9.057 1.794 1.00 0.42 H new ATOM 0 HE ARG A 61 1.398 7.305 4.135 1.00 0.84 H new ATOM 0 HH11 ARG A 61 -0.022 10.236 2.772 1.00 1.32 H new ATOM 0 HH12 ARG A 61 -0.971 10.589 4.220 1.00 1.32 H new ATOM 0 HH21 ARG A 61 0.200 7.794 6.010 1.00 1.91 H new ATOM 0 HH22 ARG A 61 -0.846 9.218 6.039 1.00 1.91 H new ATOM 71 N LEU A 62 1.522 4.931 -1.656 1.00 0.16 N ATOM 72 CA LEU A 62 0.521 4.785 -2.717 1.00 0.15 C ATOM 73 C LEU A 62 -0.870 4.964 -2.139 1.00 0.12 C ATOM 74 O LEU A 62 -1.253 4.239 -1.224 1.00 0.20 O ATOM 75 CB LEU A 62 0.583 3.407 -3.407 1.00 0.23 C ATOM 76 CG LEU A 62 1.819 2.555 -3.136 1.00 0.20 C ATOM 77 CD1 LEU A 62 1.680 1.225 -3.840 1.00 0.28 C ATOM 78 CD2 LEU A 62 3.095 3.254 -3.595 1.00 0.32 C ATOM 0 H LEU A 62 1.600 4.128 -1.032 1.00 0.16 H new ATOM 0 HA LEU A 62 0.741 5.550 -3.461 1.00 0.15 H new ATOM 0 HB2 LEU A 62 -0.295 2.836 -3.105 1.00 0.23 H new ATOM 0 HB3 LEU A 62 0.507 3.563 -4.483 1.00 0.23 H new ATOM 0 HG LEU A 62 1.894 2.399 -2.060 1.00 0.20 H new ATOM 0 HD11 LEU A 62 2.563 0.617 -3.646 1.00 0.28 H new ATOM 0 HD12 LEU A 62 0.795 0.708 -3.470 1.00 0.28 H new ATOM 0 HD13 LEU A 62 1.581 1.390 -4.913 1.00 0.28 H new ATOM 0 HD21 LEU A 62 3.954 2.617 -3.386 1.00 0.32 H new ATOM 0 HD22 LEU A 62 3.039 3.447 -4.666 1.00 0.32 H new ATOM 0 HD23 LEU A 62 3.205 4.198 -3.061 1.00 0.32 H new ATOM 90 N MET A 63 -1.627 5.925 -2.654 1.00 0.10 N ATOM 91 CA MET A 63 -2.995 6.098 -2.198 1.00 0.13 C ATOM 92 C MET A 63 -3.921 5.087 -2.864 1.00 0.18 C ATOM 93 O MET A 63 -4.178 5.139 -4.066 1.00 0.39 O ATOM 94 CB MET A 63 -3.505 7.529 -2.414 1.00 0.18 C ATOM 95 CG MET A 63 -3.702 7.938 -3.869 1.00 0.29 C ATOM 96 SD MET A 63 -4.418 9.588 -4.038 1.00 1.09 S ATOM 97 CE MET A 63 -6.002 9.368 -3.228 1.00 1.80 C ATOM 0 H MET A 63 -1.323 6.582 -3.372 1.00 0.10 H new ATOM 0 HA MET A 63 -2.997 5.917 -1.123 1.00 0.13 H new ATOM 0 HB2 MET A 63 -4.454 7.642 -1.890 1.00 0.18 H new ATOM 0 HB3 MET A 63 -2.802 8.221 -1.951 1.00 0.18 H new ATOM 0 HG2 MET A 63 -2.742 7.909 -4.384 1.00 0.29 H new ATOM 0 HG3 MET A 63 -4.350 7.213 -4.362 1.00 0.29 H new ATOM 0 HE1 MET A 63 -6.703 10.120 -3.590 1.00 1.80 H new ATOM 0 HE2 MET A 63 -6.390 8.374 -3.451 1.00 1.80 H new ATOM 0 HE3 MET A 63 -5.878 9.476 -2.151 1.00 1.80 H new ATOM 107 N VAL A 64 -4.379 4.145 -2.075 1.00 0.11 N ATOM 108 CA VAL A 64 -5.349 3.172 -2.520 1.00 0.11 C ATOM 109 C VAL A 64 -6.732 3.633 -2.084 1.00 0.16 C ATOM 110 O VAL A 64 -6.867 4.218 -1.023 1.00 0.42 O ATOM 111 CB VAL A 64 -5.034 1.787 -1.917 1.00 0.14 C ATOM 112 CG1 VAL A 64 -6.045 0.754 -2.351 1.00 0.17 C ATOM 113 CG2 VAL A 64 -3.628 1.339 -2.293 1.00 0.18 C ATOM 0 H VAL A 64 -4.089 4.031 -1.104 1.00 0.11 H new ATOM 0 HA VAL A 64 -5.313 3.085 -3.606 1.00 0.11 H new ATOM 0 HB VAL A 64 -5.092 1.882 -0.833 1.00 0.14 H new ATOM 0 HG11 VAL A 64 -5.793 -0.210 -1.908 1.00 0.17 H new ATOM 0 HG12 VAL A 64 -7.039 1.056 -2.021 1.00 0.17 H new ATOM 0 HG13 VAL A 64 -6.034 0.668 -3.438 1.00 0.17 H new ATOM 0 HG21 VAL A 64 -3.429 0.360 -1.856 1.00 0.18 H new ATOM 0 HG22 VAL A 64 -3.544 1.276 -3.378 1.00 0.18 H new ATOM 0 HG23 VAL A 64 -2.903 2.059 -1.914 1.00 0.18 H new ATOM 123 N THR A 65 -7.748 3.425 -2.900 1.00 0.19 N ATOM 124 CA THR A 65 -9.085 3.850 -2.515 1.00 0.19 C ATOM 125 C THR A 65 -10.076 2.699 -2.515 1.00 0.20 C ATOM 126 O THR A 65 -10.211 1.971 -3.500 1.00 0.24 O ATOM 127 CB THR A 65 -9.606 4.980 -3.412 1.00 0.22 C ATOM 128 OG1 THR A 65 -9.183 4.775 -4.766 1.00 0.29 O ATOM 129 CG2 THR A 65 -9.121 6.333 -2.915 1.00 0.25 C ATOM 0 H THR A 65 -7.680 2.975 -3.813 1.00 0.19 H new ATOM 0 HA THR A 65 -8.997 4.226 -1.496 1.00 0.19 H new ATOM 0 HB THR A 65 -10.695 4.969 -3.374 1.00 0.22 H new ATOM 0 HG1 THR A 65 -9.523 5.502 -5.329 1.00 0.29 H new ATOM 0 HG21 THR A 65 -9.503 7.118 -3.567 1.00 0.25 H new ATOM 0 HG22 THR A 65 -9.480 6.498 -1.899 1.00 0.25 H new ATOM 0 HG23 THR A 65 -8.031 6.354 -2.922 1.00 0.25 H new ATOM 137 N GLU A 66 -10.779 2.547 -1.405 1.00 0.20 N ATOM 138 CA GLU A 66 -11.737 1.479 -1.260 1.00 0.22 C ATOM 139 C GLU A 66 -13.146 1.946 -1.615 1.00 0.24 C ATOM 140 O GLU A 66 -13.759 2.749 -0.908 1.00 0.31 O ATOM 141 CB GLU A 66 -11.711 0.908 0.157 1.00 0.25 C ATOM 142 CG GLU A 66 -10.371 0.317 0.554 1.00 0.35 C ATOM 143 CD GLU A 66 -9.369 1.361 0.999 1.00 0.54 C ATOM 144 OE1 GLU A 66 -9.525 1.912 2.108 1.00 0.79 O ATOM 145 OE2 GLU A 66 -8.430 1.642 0.227 1.00 0.92 O ATOM 0 H GLU A 66 -10.699 3.156 -0.591 1.00 0.20 H new ATOM 0 HA GLU A 66 -11.453 0.690 -1.957 1.00 0.22 H new ATOM 0 HB2 GLU A 66 -11.973 1.697 0.862 1.00 0.25 H new ATOM 0 HB3 GLU A 66 -12.477 0.137 0.242 1.00 0.25 H new ATOM 0 HG2 GLU A 66 -10.522 -0.400 1.361 1.00 0.35 H new ATOM 0 HG3 GLU A 66 -9.960 -0.236 -0.291 1.00 0.35 H new ATOM 152 N LYS A 67 -13.637 1.427 -2.726 1.00 0.23 N ATOM 153 CA LYS A 67 -15.012 1.626 -3.167 1.00 0.26 C ATOM 154 C LYS A 67 -15.398 0.408 -3.978 1.00 0.26 C ATOM 155 O LYS A 67 -14.666 -0.559 -3.952 1.00 0.27 O ATOM 156 CB LYS A 67 -15.184 2.924 -3.979 1.00 0.32 C ATOM 157 CG LYS A 67 -14.263 3.073 -5.190 1.00 0.36 C ATOM 158 CD LYS A 67 -12.878 3.565 -4.795 1.00 0.34 C ATOM 159 CE LYS A 67 -12.013 3.869 -6.012 1.00 0.53 C ATOM 160 NZ LYS A 67 -12.531 5.019 -6.801 1.00 0.93 N ATOM 0 H LYS A 67 -13.086 0.847 -3.359 1.00 0.23 H new ATOM 0 HA LYS A 67 -15.667 1.738 -2.303 1.00 0.26 H new ATOM 0 HB2 LYS A 67 -16.217 2.983 -4.321 1.00 0.32 H new ATOM 0 HB3 LYS A 67 -15.020 3.772 -3.314 1.00 0.32 H new ATOM 0 HG2 LYS A 67 -14.175 2.113 -5.699 1.00 0.36 H new ATOM 0 HG3 LYS A 67 -14.707 3.771 -5.900 1.00 0.36 H new ATOM 0 HD2 LYS A 67 -12.973 4.463 -4.184 1.00 0.34 H new ATOM 0 HD3 LYS A 67 -12.387 2.811 -4.180 1.00 0.34 H new ATOM 0 HE2 LYS A 67 -10.995 4.084 -5.687 1.00 0.53 H new ATOM 0 HE3 LYS A 67 -11.964 2.986 -6.650 1.00 0.53 H new ATOM 0 HZ1 LYS A 67 -11.801 5.339 -7.469 1.00 0.93 H new ATOM 0 HZ2 LYS A 67 -13.378 4.725 -7.328 1.00 0.93 H new ATOM 0 HZ3 LYS A 67 -12.777 5.798 -6.158 1.00 0.93 H new ATOM 174 N GLN A 68 -16.511 0.419 -4.694 1.00 0.33 N ATOM 175 CA GLN A 68 -16.913 -0.776 -5.445 1.00 0.41 C ATOM 176 C GLN A 68 -15.798 -1.212 -6.407 1.00 0.42 C ATOM 177 O GLN A 68 -15.761 -2.351 -6.871 1.00 0.53 O ATOM 178 CB GLN A 68 -18.218 -0.533 -6.199 1.00 0.49 C ATOM 179 CG GLN A 68 -18.860 -1.811 -6.713 1.00 1.52 C ATOM 180 CD GLN A 68 -19.220 -2.772 -5.596 1.00 2.26 C ATOM 181 OE1 GLN A 68 -19.545 -2.357 -4.482 1.00 2.79 O ATOM 182 NE2 GLN A 68 -19.162 -4.061 -5.881 1.00 3.05 N ATOM 0 H GLN A 68 -17.143 1.216 -4.776 1.00 0.33 H new ATOM 0 HA GLN A 68 -17.083 -1.583 -4.733 1.00 0.41 H new ATOM 0 HB2 GLN A 68 -18.920 -0.021 -5.541 1.00 0.49 H new ATOM 0 HB3 GLN A 68 -18.025 0.133 -7.040 1.00 0.49 H new ATOM 0 HG2 GLN A 68 -19.759 -1.561 -7.276 1.00 1.52 H new ATOM 0 HG3 GLN A 68 -18.177 -2.304 -7.405 1.00 1.52 H new ATOM 0 HE21 GLN A 68 -18.888 -4.365 -6.815 1.00 3.05 H new ATOM 0 HE22 GLN A 68 -19.391 -4.752 -5.167 1.00 3.05 H new ATOM 191 N GLU A 69 -14.898 -0.279 -6.690 1.00 0.36 N ATOM 192 CA GLU A 69 -13.658 -0.556 -7.401 1.00 0.40 C ATOM 193 C GLU A 69 -12.768 -1.524 -6.610 1.00 0.33 C ATOM 194 O GLU A 69 -12.451 -2.621 -7.078 1.00 0.39 O ATOM 195 CB GLU A 69 -12.902 0.755 -7.596 1.00 0.45 C ATOM 196 CG GLU A 69 -11.611 0.633 -8.391 1.00 1.10 C ATOM 197 CD GLU A 69 -11.842 0.480 -9.878 1.00 1.52 C ATOM 198 OE1 GLU A 69 -11.963 1.513 -10.570 1.00 1.63 O ATOM 199 OE2 GLU A 69 -11.897 -0.669 -10.367 1.00 2.34 O ATOM 0 H GLU A 69 -15.010 0.701 -6.430 1.00 0.36 H new ATOM 0 HA GLU A 69 -13.903 -1.014 -8.359 1.00 0.40 H new ATOM 0 HB2 GLU A 69 -13.557 1.465 -8.101 1.00 0.45 H new ATOM 0 HB3 GLU A 69 -12.671 1.175 -6.617 1.00 0.45 H new ATOM 0 HG2 GLU A 69 -10.997 1.516 -8.214 1.00 1.10 H new ATOM 0 HG3 GLU A 69 -11.047 -0.226 -8.027 1.00 1.10 H new ATOM 206 N SER A 70 -12.377 -1.107 -5.406 1.00 0.27 N ATOM 207 CA SER A 70 -11.345 -1.811 -4.649 1.00 0.22 C ATOM 208 C SER A 70 -11.755 -2.105 -3.206 1.00 0.17 C ATOM 209 O SER A 70 -10.894 -2.269 -2.350 1.00 0.16 O ATOM 210 CB SER A 70 -10.068 -0.977 -4.636 1.00 0.26 C ATOM 211 OG SER A 70 -9.801 -0.421 -5.913 1.00 0.59 O ATOM 0 H SER A 70 -12.759 -0.287 -4.935 1.00 0.27 H new ATOM 0 HA SER A 70 -11.188 -2.768 -5.146 1.00 0.22 H new ATOM 0 HB2 SER A 70 -10.161 -0.177 -3.901 1.00 0.26 H new ATOM 0 HB3 SER A 70 -9.228 -1.599 -4.325 1.00 0.26 H new ATOM 0 HG SER A 70 -9.089 -0.933 -6.351 1.00 0.59 H new ATOM 217 N LYS A 71 -13.049 -2.155 -2.918 1.00 0.19 N ATOM 218 CA LYS A 71 -13.519 -2.473 -1.572 1.00 0.20 C ATOM 219 C LYS A 71 -12.968 -3.803 -1.083 1.00 0.19 C ATOM 220 O LYS A 71 -12.841 -4.027 0.117 1.00 0.22 O ATOM 221 CB LYS A 71 -15.043 -2.512 -1.512 1.00 0.32 C ATOM 222 CG LYS A 71 -15.666 -1.206 -1.047 1.00 0.59 C ATOM 223 CD LYS A 71 -15.250 -0.858 0.380 1.00 0.42 C ATOM 224 CE LYS A 71 -15.707 -1.910 1.382 1.00 1.12 C ATOM 225 NZ LYS A 71 -17.187 -2.039 1.413 1.00 1.70 N ATOM 0 H LYS A 71 -13.792 -1.980 -3.595 1.00 0.19 H new ATOM 0 HA LYS A 71 -13.153 -1.679 -0.920 1.00 0.20 H new ATOM 0 HB2 LYS A 71 -15.431 -2.759 -2.500 1.00 0.32 H new ATOM 0 HB3 LYS A 71 -15.352 -3.312 -0.839 1.00 0.32 H new ATOM 0 HG2 LYS A 71 -15.368 -0.401 -1.719 1.00 0.59 H new ATOM 0 HG3 LYS A 71 -16.752 -1.281 -1.101 1.00 0.59 H new ATOM 0 HD2 LYS A 71 -14.165 -0.760 0.427 1.00 0.42 H new ATOM 0 HD3 LYS A 71 -15.670 0.110 0.654 1.00 0.42 H new ATOM 0 HE2 LYS A 71 -15.264 -2.872 1.126 1.00 1.12 H new ATOM 0 HE3 LYS A 71 -15.345 -1.647 2.376 1.00 1.12 H new ATOM 0 HZ1 LYS A 71 -17.467 -2.635 2.218 1.00 1.70 H new ATOM 0 HZ2 LYS A 71 -17.616 -1.097 1.514 1.00 1.70 H new ATOM 0 HZ3 LYS A 71 -17.516 -2.476 0.528 1.00 1.70 H new ATOM 239 N ASN A 72 -12.653 -4.681 -2.018 1.00 0.19 N ATOM 240 CA ASN A 72 -12.025 -5.955 -1.703 1.00 0.22 C ATOM 241 C ASN A 72 -10.706 -5.717 -0.966 1.00 0.20 C ATOM 242 O ASN A 72 -10.322 -6.473 -0.074 1.00 0.27 O ATOM 243 CB ASN A 72 -11.790 -6.724 -3.008 1.00 0.26 C ATOM 244 CG ASN A 72 -11.369 -8.174 -2.808 1.00 1.15 C ATOM 245 OD1 ASN A 72 -10.706 -8.531 -1.837 1.00 2.13 O ATOM 246 ND2 ASN A 72 -11.772 -9.025 -3.736 1.00 1.62 N ATOM 0 H ASN A 72 -12.823 -4.534 -3.013 1.00 0.19 H new ATOM 0 HA ASN A 72 -12.673 -6.543 -1.053 1.00 0.22 H new ATOM 0 HB2 ASN A 72 -12.705 -6.701 -3.601 1.00 0.26 H new ATOM 0 HB3 ASN A 72 -11.022 -6.210 -3.587 1.00 0.26 H new ATOM 0 HD21 ASN A 72 -11.534 -10.014 -3.659 1.00 1.62 H new ATOM 0 HD22 ASN A 72 -12.321 -8.693 -4.529 1.00 1.62 H new ATOM 253 N PHE A 73 -10.049 -4.619 -1.311 1.00 0.16 N ATOM 254 CA PHE A 73 -8.764 -4.270 -0.735 1.00 0.14 C ATOM 255 C PHE A 73 -8.905 -3.801 0.712 1.00 0.14 C ATOM 256 O PHE A 73 -7.968 -3.945 1.499 1.00 0.14 O ATOM 257 CB PHE A 73 -8.083 -3.181 -1.573 1.00 0.14 C ATOM 258 CG PHE A 73 -6.768 -2.742 -1.007 1.00 0.13 C ATOM 259 CD1 PHE A 73 -5.600 -3.410 -1.329 1.00 0.14 C ATOM 260 CD2 PHE A 73 -6.708 -1.680 -0.124 1.00 0.17 C ATOM 261 CE1 PHE A 73 -4.397 -3.020 -0.780 1.00 0.16 C ATOM 262 CE2 PHE A 73 -5.509 -1.294 0.430 1.00 0.19 C ATOM 263 CZ PHE A 73 -4.352 -1.966 0.100 1.00 0.15 C ATOM 0 H PHE A 73 -10.393 -3.948 -1.997 1.00 0.16 H new ATOM 0 HA PHE A 73 -8.146 -5.168 -0.739 1.00 0.14 H new ATOM 0 HB2 PHE A 73 -7.930 -3.553 -2.586 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -8.746 -2.319 -1.646 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -5.631 -4.243 -2.016 1.00 0.14 H new ATOM 0 HD2 PHE A 73 -7.612 -1.148 0.134 1.00 0.17 H new ATOM 0 HE1 PHE A 73 -3.489 -3.543 -1.042 1.00 0.16 H new ATOM 0 HE2 PHE A 73 -5.475 -0.466 1.122 1.00 0.19 H new ATOM 0 HZ PHE A 73 -3.410 -1.664 0.533 1.00 0.15 H new ATOM 273 N SER A 74 -10.076 -3.265 1.061 1.00 0.16 N ATOM 274 CA SER A 74 -10.288 -2.672 2.382 1.00 0.18 C ATOM 275 C SER A 74 -9.808 -3.605 3.491 1.00 0.18 C ATOM 276 O SER A 74 -9.048 -3.205 4.367 1.00 0.24 O ATOM 277 CB SER A 74 -11.765 -2.325 2.597 1.00 0.23 C ATOM 278 OG SER A 74 -12.581 -3.485 2.599 1.00 0.71 O ATOM 0 H SER A 74 -10.891 -3.230 0.448 1.00 0.16 H new ATOM 0 HA SER A 74 -9.702 -1.754 2.424 1.00 0.18 H new ATOM 0 HB2 SER A 74 -11.881 -1.797 3.543 1.00 0.23 H new ATOM 0 HB3 SER A 74 -12.098 -1.647 1.811 1.00 0.23 H new ATOM 0 HG SER A 74 -13.026 -3.574 1.730 1.00 0.71 H new ATOM 284 N LYS A 75 -10.235 -4.858 3.431 1.00 0.16 N ATOM 285 CA LYS A 75 -9.873 -5.826 4.452 1.00 0.18 C ATOM 286 C LYS A 75 -8.559 -6.530 4.120 1.00 0.15 C ATOM 287 O LYS A 75 -7.984 -7.201 4.975 1.00 0.20 O ATOM 288 CB LYS A 75 -10.997 -6.844 4.647 1.00 0.24 C ATOM 289 CG LYS A 75 -12.345 -6.196 4.931 1.00 0.76 C ATOM 290 CD LYS A 75 -12.283 -5.277 6.141 1.00 0.90 C ATOM 291 CE LYS A 75 -13.551 -4.452 6.286 1.00 1.87 C ATOM 292 NZ LYS A 75 -14.747 -5.301 6.526 1.00 2.17 N ATOM 0 H LYS A 75 -10.830 -5.226 2.689 1.00 0.16 H new ATOM 0 HA LYS A 75 -9.727 -5.283 5.386 1.00 0.18 H new ATOM 0 HB2 LYS A 75 -11.079 -7.462 3.753 1.00 0.24 H new ATOM 0 HB3 LYS A 75 -10.739 -7.508 5.472 1.00 0.24 H new ATOM 0 HG2 LYS A 75 -12.667 -5.628 4.058 1.00 0.76 H new ATOM 0 HG3 LYS A 75 -13.093 -6.971 5.100 1.00 0.76 H new ATOM 0 HD2 LYS A 75 -12.131 -5.871 7.042 1.00 0.90 H new ATOM 0 HD3 LYS A 75 -11.425 -4.612 6.049 1.00 0.90 H new ATOM 0 HE2 LYS A 75 -13.434 -3.750 7.112 1.00 1.87 H new ATOM 0 HE3 LYS A 75 -13.703 -3.860 5.384 1.00 1.87 H new ATOM 0 HZ1 LYS A 75 -15.580 -4.695 6.669 1.00 2.17 H new ATOM 0 HZ2 LYS A 75 -14.905 -5.918 5.704 1.00 2.17 H new ATOM 0 HZ3 LYS A 75 -14.594 -5.885 7.373 1.00 2.17 H new ATOM 306 N MET A 76 -8.086 -6.385 2.883 1.00 0.13 N ATOM 307 CA MET A 76 -6.796 -6.954 2.489 1.00 0.15 C ATOM 308 C MET A 76 -5.697 -6.273 3.274 1.00 0.16 C ATOM 309 O MET A 76 -4.860 -6.922 3.895 1.00 0.20 O ATOM 310 CB MET A 76 -6.539 -6.771 0.986 1.00 0.17 C ATOM 311 CG MET A 76 -5.297 -7.506 0.471 1.00 0.23 C ATOM 312 SD MET A 76 -5.288 -9.257 0.905 1.00 0.51 S ATOM 313 CE MET A 76 -6.702 -9.844 -0.026 1.00 1.35 C ATOM 0 H MET A 76 -8.572 -5.882 2.140 1.00 0.13 H new ATOM 0 HA MET A 76 -6.810 -8.023 2.702 1.00 0.15 H new ATOM 0 HB2 MET A 76 -7.411 -7.122 0.434 1.00 0.17 H new ATOM 0 HB3 MET A 76 -6.433 -5.707 0.773 1.00 0.17 H new ATOM 0 HG2 MET A 76 -5.245 -7.405 -0.613 1.00 0.23 H new ATOM 0 HG3 MET A 76 -4.405 -7.031 0.879 1.00 0.23 H new ATOM 0 HE1 MET A 76 -6.765 -10.929 0.054 1.00 1.35 H new ATOM 0 HE2 MET A 76 -7.612 -9.397 0.374 1.00 1.35 H new ATOM 0 HE3 MET A 76 -6.590 -9.563 -1.073 1.00 1.35 H new ATOM 323 N ALA A 77 -5.741 -4.953 3.266 1.00 0.15 N ATOM 324 CA ALA A 77 -4.765 -4.144 3.981 1.00 0.19 C ATOM 325 C ALA A 77 -4.899 -4.312 5.490 1.00 0.26 C ATOM 326 O ALA A 77 -3.959 -4.063 6.242 1.00 0.47 O ATOM 327 CB ALA A 77 -4.919 -2.687 3.595 1.00 0.17 C ATOM 0 H ALA A 77 -6.448 -4.413 2.768 1.00 0.15 H new ATOM 0 HA ALA A 77 -3.769 -4.486 3.699 1.00 0.19 H new ATOM 0 HB1 ALA A 77 -4.185 -2.088 4.134 1.00 0.17 H new ATOM 0 HB2 ALA A 77 -4.760 -2.576 2.522 1.00 0.17 H new ATOM 0 HB3 ALA A 77 -5.923 -2.347 3.850 1.00 0.17 H new ATOM 333 N LYS A 78 -6.075 -4.735 5.921 1.00 0.17 N ATOM 334 CA LYS A 78 -6.347 -4.957 7.328 1.00 0.21 C ATOM 335 C LYS A 78 -5.997 -6.387 7.723 1.00 0.19 C ATOM 336 O LYS A 78 -5.993 -6.739 8.904 1.00 0.33 O ATOM 337 CB LYS A 78 -7.819 -4.704 7.589 1.00 0.32 C ATOM 338 CG LYS A 78 -8.266 -3.300 7.233 1.00 0.54 C ATOM 339 CD LYS A 78 -8.342 -2.390 8.444 1.00 0.46 C ATOM 340 CE LYS A 78 -9.298 -1.233 8.199 1.00 0.58 C ATOM 341 NZ LYS A 78 -9.504 -0.419 9.424 1.00 1.30 N ATOM 0 H LYS A 78 -6.865 -4.933 5.307 1.00 0.17 H new ATOM 0 HA LYS A 78 -5.737 -4.276 7.922 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -8.409 -5.420 7.017 1.00 0.32 H new ATOM 0 HB3 LYS A 78 -8.029 -4.887 8.643 1.00 0.32 H new ATOM 0 HG2 LYS A 78 -7.574 -2.875 6.506 1.00 0.54 H new ATOM 0 HG3 LYS A 78 -9.244 -3.344 6.754 1.00 0.54 H new ATOM 0 HD2 LYS A 78 -8.672 -2.961 9.312 1.00 0.46 H new ATOM 0 HD3 LYS A 78 -7.350 -2.003 8.675 1.00 0.46 H new ATOM 0 HE2 LYS A 78 -8.906 -0.600 7.403 1.00 0.58 H new ATOM 0 HE3 LYS A 78 -10.257 -1.620 7.854 1.00 0.58 H new ATOM 0 HZ1 LYS A 78 -10.162 0.360 9.217 1.00 1.30 H new ATOM 0 HZ2 LYS A 78 -9.902 -1.018 10.176 1.00 1.30 H new ATOM 0 HZ3 LYS A 78 -8.593 -0.028 9.739 1.00 1.30 H new ATOM 355 N SER A 79 -5.705 -7.204 6.722 1.00 0.13 N ATOM 356 CA SER A 79 -5.437 -8.613 6.940 1.00 0.14 C ATOM 357 C SER A 79 -4.049 -8.794 7.535 1.00 0.15 C ATOM 358 O SER A 79 -3.165 -7.980 7.292 1.00 0.17 O ATOM 359 CB SER A 79 -5.557 -9.384 5.622 1.00 0.21 C ATOM 360 OG SER A 79 -5.356 -10.776 5.811 1.00 0.30 O ATOM 0 H SER A 79 -5.648 -6.911 5.747 1.00 0.13 H new ATOM 0 HA SER A 79 -6.172 -9.008 7.641 1.00 0.14 H new ATOM 0 HB2 SER A 79 -6.543 -9.214 5.189 1.00 0.21 H new ATOM 0 HB3 SER A 79 -4.825 -9.004 4.909 1.00 0.21 H new ATOM 0 HG SER A 79 -4.533 -11.052 5.357 1.00 0.30 H new ATOM 366 N GLN A 80 -3.866 -9.859 8.303 1.00 0.26 N ATOM 367 CA GLN A 80 -2.591 -10.131 8.960 1.00 0.33 C ATOM 368 C GLN A 80 -1.453 -10.194 7.940 1.00 0.27 C ATOM 369 O GLN A 80 -0.344 -9.726 8.199 1.00 0.32 O ATOM 370 CB GLN A 80 -2.671 -11.449 9.732 1.00 0.45 C ATOM 371 CG GLN A 80 -1.449 -11.730 10.592 1.00 1.51 C ATOM 372 CD GLN A 80 -1.302 -10.748 11.736 1.00 1.98 C ATOM 373 OE1 GLN A 80 -0.674 -9.697 11.602 1.00 2.65 O ATOM 374 NE2 GLN A 80 -1.884 -11.085 12.873 1.00 2.42 N ATOM 0 H GLN A 80 -4.589 -10.554 8.488 1.00 0.26 H new ATOM 0 HA GLN A 80 -2.385 -9.317 9.655 1.00 0.33 H new ATOM 0 HB2 GLN A 80 -3.556 -11.434 10.368 1.00 0.45 H new ATOM 0 HB3 GLN A 80 -2.802 -12.267 9.024 1.00 0.45 H new ATOM 0 HG2 GLN A 80 -1.517 -12.741 10.993 1.00 1.51 H new ATOM 0 HG3 GLN A 80 -0.555 -11.693 9.969 1.00 1.51 H new ATOM 0 HE21 GLN A 80 -2.395 -11.965 12.943 1.00 2.42 H new ATOM 0 HE22 GLN A 80 -1.822 -10.465 13.681 1.00 2.42 H new ATOM 383 N SER A 81 -1.747 -10.757 6.774 1.00 0.24 N ATOM 384 CA SER A 81 -0.763 -10.884 5.710 1.00 0.22 C ATOM 385 C SER A 81 -0.276 -9.513 5.246 1.00 0.16 C ATOM 386 O SER A 81 0.924 -9.221 5.267 1.00 0.18 O ATOM 387 CB SER A 81 -1.369 -11.661 4.540 1.00 0.27 C ATOM 388 OG SER A 81 -2.667 -11.177 4.221 1.00 0.99 O ATOM 0 H SER A 81 -2.666 -11.135 6.542 1.00 0.24 H new ATOM 0 HA SER A 81 0.098 -11.429 6.096 1.00 0.22 H new ATOM 0 HB2 SER A 81 -0.721 -11.575 3.668 1.00 0.27 H new ATOM 0 HB3 SER A 81 -1.424 -12.720 4.793 1.00 0.27 H new ATOM 0 HG SER A 81 -3.031 -11.689 3.469 1.00 0.99 H new ATOM 394 N PHE A 82 -1.212 -8.660 4.856 1.00 0.12 N ATOM 395 CA PHE A 82 -0.862 -7.355 4.330 1.00 0.11 C ATOM 396 C PHE A 82 -0.541 -6.375 5.455 1.00 0.12 C ATOM 397 O PHE A 82 0.033 -5.328 5.225 1.00 0.14 O ATOM 398 CB PHE A 82 -1.948 -6.782 3.430 1.00 0.12 C ATOM 399 CG PHE A 82 -1.377 -5.956 2.316 1.00 0.11 C ATOM 400 CD1 PHE A 82 -0.557 -6.536 1.360 1.00 0.09 C ATOM 401 CD2 PHE A 82 -1.639 -4.600 2.233 1.00 0.14 C ATOM 402 CE1 PHE A 82 -0.009 -5.778 0.345 1.00 0.10 C ATOM 403 CE2 PHE A 82 -1.097 -3.839 1.222 1.00 0.13 C ATOM 404 CZ PHE A 82 -0.278 -4.426 0.276 1.00 0.09 C ATOM 0 H PHE A 82 -2.214 -8.849 4.895 1.00 0.12 H new ATOM 0 HA PHE A 82 0.030 -7.497 3.720 1.00 0.11 H new ATOM 0 HB2 PHE A 82 -2.539 -7.597 3.011 1.00 0.12 H new ATOM 0 HB3 PHE A 82 -2.626 -6.170 4.025 1.00 0.12 H new ATOM 0 HD1 PHE A 82 -0.345 -7.594 1.410 1.00 0.09 H new ATOM 0 HD2 PHE A 82 -2.276 -4.133 2.970 1.00 0.14 H new ATOM 0 HE1 PHE A 82 0.629 -6.242 -0.393 1.00 0.10 H new ATOM 0 HE2 PHE A 82 -1.312 -2.782 1.168 1.00 0.13 H new ATOM 0 HZ PHE A 82 0.150 -3.828 -0.515 1.00 0.09 H new ATOM 414 N SER A 83 -0.969 -6.666 6.661 1.00 0.13 N ATOM 415 CA SER A 83 -0.600 -5.830 7.791 1.00 0.17 C ATOM 416 C SER A 83 0.923 -5.798 7.929 1.00 0.21 C ATOM 417 O SER A 83 1.513 -4.748 8.161 1.00 0.40 O ATOM 418 CB SER A 83 -1.250 -6.351 9.080 1.00 0.21 C ATOM 419 OG SER A 83 -1.195 -5.384 10.118 1.00 1.17 O ATOM 0 H SER A 83 -1.565 -7.462 6.889 1.00 0.13 H new ATOM 0 HA SER A 83 -0.961 -4.816 7.618 1.00 0.17 H new ATOM 0 HB2 SER A 83 -2.289 -6.617 8.883 1.00 0.21 H new ATOM 0 HB3 SER A 83 -0.744 -7.261 9.402 1.00 0.21 H new ATOM 0 HG SER A 83 -1.618 -5.745 10.925 1.00 1.17 H new ATOM 425 N THR A 84 1.555 -6.944 7.713 1.00 0.17 N ATOM 426 CA THR A 84 2.965 -7.108 7.963 1.00 0.22 C ATOM 427 C THR A 84 3.840 -6.897 6.716 1.00 0.16 C ATOM 428 O THR A 84 4.954 -6.387 6.824 1.00 0.21 O ATOM 429 CB THR A 84 3.190 -8.527 8.504 1.00 0.36 C ATOM 430 OG1 THR A 84 2.410 -8.735 9.689 1.00 0.80 O ATOM 431 CG2 THR A 84 4.643 -8.756 8.803 1.00 0.64 C ATOM 0 H THR A 84 1.096 -7.783 7.359 1.00 0.17 H new ATOM 0 HA THR A 84 3.263 -6.344 8.680 1.00 0.22 H new ATOM 0 HB THR A 84 2.875 -9.238 7.740 1.00 0.36 H new ATOM 0 HG1 THR A 84 1.519 -9.060 9.441 1.00 0.80 H new ATOM 0 HG21 THR A 84 4.781 -9.767 9.185 1.00 0.64 H new ATOM 0 HG22 THR A 84 5.226 -8.630 7.891 1.00 0.64 H new ATOM 0 HG23 THR A 84 4.978 -8.037 9.550 1.00 0.64 H new ATOM 439 N ARG A 85 3.304 -7.247 5.546 1.00 0.15 N ATOM 440 CA ARG A 85 4.107 -7.446 4.325 1.00 0.16 C ATOM 441 C ARG A 85 5.175 -6.361 4.085 1.00 0.15 C ATOM 442 O ARG A 85 6.356 -6.680 3.976 1.00 0.15 O ATOM 443 CB ARG A 85 3.195 -7.637 3.092 1.00 0.19 C ATOM 444 CG ARG A 85 2.707 -6.357 2.433 1.00 0.17 C ATOM 445 CD ARG A 85 1.952 -5.512 3.406 1.00 0.14 C ATOM 446 NE ARG A 85 1.735 -4.143 2.947 1.00 0.14 N ATOM 447 CZ ARG A 85 1.738 -3.078 3.757 1.00 0.14 C ATOM 448 NH1 ARG A 85 1.880 -3.234 5.071 1.00 0.14 N ATOM 449 NH2 ARG A 85 1.582 -1.862 3.248 1.00 0.19 N ATOM 0 H ARG A 85 2.305 -7.402 5.412 1.00 0.15 H new ATOM 0 HA ARG A 85 4.673 -8.363 4.486 1.00 0.16 H new ATOM 0 HB2 ARG A 85 3.736 -8.224 2.349 1.00 0.19 H new ATOM 0 HB3 ARG A 85 2.327 -8.224 3.392 1.00 0.19 H new ATOM 0 HG2 ARG A 85 3.557 -5.798 2.042 1.00 0.17 H new ATOM 0 HG3 ARG A 85 2.068 -6.601 1.584 1.00 0.17 H new ATOM 0 HD2 ARG A 85 0.986 -5.977 3.605 1.00 0.14 H new ATOM 0 HD3 ARG A 85 2.495 -5.488 4.351 1.00 0.14 H new ATOM 0 HE ARG A 85 1.572 -3.990 1.952 1.00 0.14 H new ATOM 0 HH11 ARG A 85 1.987 -4.169 5.465 1.00 0.14 H new ATOM 0 HH12 ARG A 85 1.882 -2.419 5.684 1.00 0.14 H new ATOM 0 HH21 ARG A 85 1.460 -1.742 2.242 1.00 0.19 H new ATOM 0 HH22 ARG A 85 1.584 -1.048 3.862 1.00 0.19 H new ATOM 463 N ILE A 86 4.786 -5.091 4.043 1.00 0.13 N ATOM 464 CA ILE A 86 5.726 -4.033 3.713 1.00 0.13 C ATOM 465 C ILE A 86 6.398 -3.517 4.977 1.00 0.14 C ATOM 466 O ILE A 86 7.532 -3.047 4.945 1.00 0.16 O ATOM 467 CB ILE A 86 5.056 -2.835 2.991 1.00 0.10 C ATOM 468 CG1 ILE A 86 4.300 -3.276 1.742 1.00 0.14 C ATOM 469 CG2 ILE A 86 6.085 -1.792 2.624 1.00 0.13 C ATOM 470 CD1 ILE A 86 5.029 -4.290 0.914 1.00 0.21 C ATOM 0 H ILE A 86 3.835 -4.774 4.232 1.00 0.13 H new ATOM 0 HA ILE A 86 6.457 -4.473 3.034 1.00 0.13 H new ATOM 0 HB ILE A 86 4.336 -2.403 3.686 1.00 0.10 H new ATOM 0 HG12 ILE A 86 3.337 -3.690 2.040 1.00 0.14 H new ATOM 0 HG13 ILE A 86 4.094 -2.400 1.127 1.00 0.14 H new ATOM 0 HG21 ILE A 86 5.595 -0.960 2.118 1.00 0.13 H new ATOM 0 HG22 ILE A 86 6.575 -1.430 3.528 1.00 0.13 H new ATOM 0 HG23 ILE A 86 6.829 -2.233 1.960 1.00 0.13 H new ATOM 0 HD11 ILE A 86 4.426 -4.552 0.045 1.00 0.21 H new ATOM 0 HD12 ILE A 86 5.980 -3.874 0.583 1.00 0.21 H new ATOM 0 HD13 ILE A 86 5.212 -5.184 1.511 1.00 0.21 H new ATOM 482 N GLU A 87 5.678 -3.600 6.092 1.00 0.16 N ATOM 483 CA GLU A 87 6.174 -3.136 7.379 1.00 0.20 C ATOM 484 C GLU A 87 7.511 -3.777 7.736 1.00 0.22 C ATOM 485 O GLU A 87 8.341 -3.161 8.401 1.00 0.28 O ATOM 486 CB GLU A 87 5.143 -3.419 8.470 1.00 0.27 C ATOM 487 CG GLU A 87 3.821 -2.703 8.256 1.00 0.40 C ATOM 488 CD GLU A 87 3.088 -2.429 9.554 1.00 0.44 C ATOM 489 OE1 GLU A 87 3.265 -3.207 10.512 1.00 0.56 O ATOM 490 OE2 GLU A 87 2.318 -1.451 9.613 1.00 0.89 O ATOM 0 H GLU A 87 4.736 -3.990 6.126 1.00 0.16 H new ATOM 0 HA GLU A 87 6.336 -2.061 7.305 1.00 0.20 H new ATOM 0 HB2 GLU A 87 4.962 -4.493 8.518 1.00 0.27 H new ATOM 0 HB3 GLU A 87 5.556 -3.122 9.434 1.00 0.27 H new ATOM 0 HG2 GLU A 87 4.002 -1.760 7.740 1.00 0.40 H new ATOM 0 HG3 GLU A 87 3.187 -3.306 7.606 1.00 0.40 H new ATOM 497 N GLU A 88 7.728 -5.002 7.279 1.00 0.25 N ATOM 498 CA GLU A 88 8.979 -5.691 7.552 1.00 0.30 C ATOM 499 C GLU A 88 10.045 -5.312 6.538 1.00 0.32 C ATOM 500 O GLU A 88 11.243 -5.440 6.802 1.00 0.37 O ATOM 501 CB GLU A 88 8.776 -7.202 7.566 1.00 0.42 C ATOM 502 CG GLU A 88 7.954 -7.677 8.745 1.00 0.52 C ATOM 503 CD GLU A 88 8.121 -9.154 9.009 1.00 1.09 C ATOM 504 OE1 GLU A 88 7.497 -9.967 8.303 1.00 1.64 O ATOM 505 OE2 GLU A 88 8.870 -9.511 9.940 1.00 1.54 O ATOM 0 H GLU A 88 7.060 -5.535 6.722 1.00 0.25 H new ATOM 0 HA GLU A 88 9.320 -5.379 8.539 1.00 0.30 H new ATOM 0 HB2 GLU A 88 8.285 -7.506 6.642 1.00 0.42 H new ATOM 0 HB3 GLU A 88 9.749 -7.694 7.586 1.00 0.42 H new ATOM 0 HG2 GLU A 88 8.243 -7.117 9.634 1.00 0.52 H new ATOM 0 HG3 GLU A 88 6.902 -7.461 8.561 1.00 0.52 H new ATOM 512 N LEU A 89 9.608 -4.842 5.384 1.00 0.34 N ATOM 513 CA LEU A 89 10.526 -4.409 4.351 1.00 0.35 C ATOM 514 C LEU A 89 10.948 -2.960 4.574 1.00 0.34 C ATOM 515 O LEU A 89 12.025 -2.544 4.143 1.00 0.38 O ATOM 516 CB LEU A 89 9.899 -4.577 2.974 1.00 0.33 C ATOM 517 CG LEU A 89 10.760 -5.328 1.968 1.00 0.32 C ATOM 518 CD1 LEU A 89 12.209 -4.875 2.021 1.00 0.32 C ATOM 519 CD2 LEU A 89 10.665 -6.818 2.189 1.00 0.37 C ATOM 0 H LEU A 89 8.622 -4.751 5.140 1.00 0.34 H new ATOM 0 HA LEU A 89 11.417 -5.035 4.403 1.00 0.35 H new ATOM 0 HB2 LEU A 89 8.951 -5.103 3.084 1.00 0.33 H new ATOM 0 HB3 LEU A 89 9.671 -3.590 2.571 1.00 0.33 H new ATOM 0 HG LEU A 89 10.376 -5.097 0.974 1.00 0.32 H new ATOM 0 HD11 LEU A 89 12.792 -5.434 1.289 1.00 0.32 H new ATOM 0 HD12 LEU A 89 12.266 -3.810 1.794 1.00 0.32 H new ATOM 0 HD13 LEU A 89 12.610 -5.055 3.018 1.00 0.32 H new ATOM 0 HD21 LEU A 89 11.288 -7.335 1.459 1.00 0.37 H new ATOM 0 HD22 LEU A 89 11.009 -7.059 3.195 1.00 0.37 H new ATOM 0 HD23 LEU A 89 9.629 -7.138 2.073 1.00 0.37 H new ATOM 531 N GLY A 90 10.110 -2.200 5.263 1.00 0.31 N ATOM 532 CA GLY A 90 10.473 -0.842 5.603 1.00 0.31 C ATOM 533 C GLY A 90 9.334 0.154 5.454 1.00 0.26 C ATOM 534 O GLY A 90 9.462 1.310 5.862 1.00 0.29 O ATOM 0 H GLY A 90 9.191 -2.498 5.591 1.00 0.31 H new ATOM 0 HA2 GLY A 90 10.831 -0.819 6.632 1.00 0.31 H new ATOM 0 HA3 GLY A 90 11.303 -0.528 4.969 1.00 0.31 H new ATOM 538 N GLY A 91 8.222 -0.284 4.876 1.00 0.22 N ATOM 539 CA GLY A 91 7.073 0.595 4.707 1.00 0.18 C ATOM 540 C GLY A 91 5.950 0.250 5.678 1.00 0.14 C ATOM 541 O GLY A 91 6.221 -0.310 6.738 1.00 0.16 O ATOM 0 H GLY A 91 8.092 -1.231 4.520 1.00 0.22 H new ATOM 0 HA2 GLY A 91 7.381 1.629 4.860 1.00 0.18 H new ATOM 0 HA3 GLY A 91 6.705 0.520 3.684 1.00 0.18 H new ATOM 545 N SER A 92 4.692 0.564 5.320 1.00 0.12 N ATOM 546 CA SER A 92 3.537 0.222 6.163 1.00 0.12 C ATOM 547 C SER A 92 2.217 0.712 5.561 1.00 0.11 C ATOM 548 O SER A 92 2.189 1.258 4.458 1.00 0.12 O ATOM 549 CB SER A 92 3.719 0.785 7.575 1.00 0.16 C ATOM 550 OG SER A 92 4.089 2.152 7.539 1.00 0.21 O ATOM 0 H SER A 92 4.452 1.052 4.457 1.00 0.12 H new ATOM 0 HA SER A 92 3.487 -0.866 6.215 1.00 0.12 H new ATOM 0 HB2 SER A 92 2.792 0.671 8.137 1.00 0.16 H new ATOM 0 HB3 SER A 92 4.483 0.213 8.102 1.00 0.16 H new ATOM 0 HG SER A 92 4.197 2.486 8.454 1.00 0.21 H new ATOM 556 N ILE A 93 1.117 0.460 6.274 1.00 0.14 N ATOM 557 CA ILE A 93 -0.216 0.883 5.840 1.00 0.13 C ATOM 558 C ILE A 93 -0.628 2.185 6.538 1.00 0.14 C ATOM 559 O ILE A 93 -0.239 2.435 7.677 1.00 0.25 O ATOM 560 CB ILE A 93 -1.285 -0.195 6.166 1.00 0.18 C ATOM 561 CG1 ILE A 93 -1.058 -1.480 5.381 1.00 0.18 C ATOM 562 CG2 ILE A 93 -2.688 0.312 5.885 1.00 0.22 C ATOM 563 CD1 ILE A 93 -1.019 -2.704 6.257 1.00 0.24 C ATOM 0 H ILE A 93 1.125 -0.040 7.163 1.00 0.14 H new ATOM 0 HA ILE A 93 -0.164 1.033 4.762 1.00 0.13 H new ATOM 0 HB ILE A 93 -1.184 -0.410 7.230 1.00 0.18 H new ATOM 0 HG12 ILE A 93 -1.852 -1.593 4.642 1.00 0.18 H new ATOM 0 HG13 ILE A 93 -0.120 -1.403 4.831 1.00 0.18 H new ATOM 0 HG21 ILE A 93 -3.411 -0.468 6.124 1.00 0.22 H new ATOM 0 HG22 ILE A 93 -2.887 1.191 6.498 1.00 0.22 H new ATOM 0 HG23 ILE A 93 -2.775 0.577 4.831 1.00 0.22 H new ATOM 0 HD11 ILE A 93 -0.855 -3.588 5.640 1.00 0.24 H new ATOM 0 HD12 ILE A 93 -0.208 -2.609 6.979 1.00 0.24 H new ATOM 0 HD13 ILE A 93 -1.966 -2.803 6.787 1.00 0.24 H new ATOM 575 N SER A 94 -1.395 3.011 5.843 1.00 0.09 N ATOM 576 CA SER A 94 -2.049 4.162 6.450 1.00 0.12 C ATOM 577 C SER A 94 -3.500 4.215 6.006 1.00 0.14 C ATOM 578 O SER A 94 -3.781 4.353 4.821 1.00 0.19 O ATOM 579 CB SER A 94 -1.351 5.458 6.041 1.00 0.15 C ATOM 580 OG SER A 94 0.043 5.384 6.294 1.00 0.17 O ATOM 0 H SER A 94 -1.582 2.904 4.846 1.00 0.09 H new ATOM 0 HA SER A 94 -1.994 4.059 7.534 1.00 0.12 H new ATOM 0 HB2 SER A 94 -1.523 5.650 4.982 1.00 0.15 H new ATOM 0 HB3 SER A 94 -1.780 6.296 6.590 1.00 0.15 H new ATOM 0 HG SER A 94 0.532 5.803 5.556 1.00 0.17 H new ATOM 586 N PHE A 95 -4.419 4.090 6.942 1.00 0.15 N ATOM 587 CA PHE A 95 -5.828 4.153 6.607 1.00 0.16 C ATOM 588 C PHE A 95 -6.386 5.546 6.818 1.00 0.18 C ATOM 589 O PHE A 95 -6.477 6.041 7.943 1.00 0.26 O ATOM 590 CB PHE A 95 -6.642 3.141 7.404 1.00 0.18 C ATOM 591 CG PHE A 95 -6.864 1.850 6.680 1.00 0.26 C ATOM 592 CD1 PHE A 95 -5.906 0.849 6.722 1.00 0.39 C ATOM 593 CD2 PHE A 95 -8.023 1.636 5.959 1.00 0.39 C ATOM 594 CE1 PHE A 95 -6.101 -0.343 6.054 1.00 0.50 C ATOM 595 CE2 PHE A 95 -8.223 0.445 5.285 1.00 0.50 C ATOM 596 CZ PHE A 95 -7.291 -0.542 5.338 1.00 0.52 C ATOM 0 H PHE A 95 -4.219 3.946 7.932 1.00 0.15 H new ATOM 0 HA PHE A 95 -5.910 3.902 5.549 1.00 0.16 H new ATOM 0 HB2 PHE A 95 -6.132 2.937 8.346 1.00 0.18 H new ATOM 0 HB3 PHE A 95 -7.608 3.579 7.653 1.00 0.18 H new ATOM 0 HD1 PHE A 95 -4.997 1.004 7.284 1.00 0.39 H new ATOM 0 HD2 PHE A 95 -8.780 2.406 5.921 1.00 0.39 H new ATOM 0 HE1 PHE A 95 -5.346 -1.114 6.082 1.00 0.50 H new ATOM 0 HE2 PHE A 95 -9.127 0.299 4.712 1.00 0.50 H new ATOM 0 HZ PHE A 95 -7.466 -1.479 4.830 1.00 0.52 H new ATOM 606 N LEU A 96 -6.748 6.171 5.719 1.00 0.16 N ATOM 607 CA LEU A 96 -7.397 7.460 5.741 1.00 0.18 C ATOM 608 C LEU A 96 -8.875 7.224 5.454 1.00 0.21 C ATOM 609 O LEU A 96 -9.356 7.429 4.332 1.00 0.23 O ATOM 610 CB LEU A 96 -6.788 8.416 4.698 1.00 0.20 C ATOM 611 CG LEU A 96 -5.246 8.523 4.671 1.00 0.21 C ATOM 612 CD1 LEU A 96 -4.677 8.712 6.068 1.00 0.70 C ATOM 613 CD2 LEU A 96 -4.623 7.309 4.008 1.00 0.79 C ATOM 0 H LEU A 96 -6.599 5.796 4.782 1.00 0.16 H new ATOM 0 HA LEU A 96 -7.259 7.932 6.714 1.00 0.18 H new ATOM 0 HB2 LEU A 96 -7.125 8.101 3.710 1.00 0.20 H new ATOM 0 HB3 LEU A 96 -7.195 9.412 4.871 1.00 0.20 H new ATOM 0 HG LEU A 96 -4.995 9.404 4.081 1.00 0.21 H new ATOM 0 HD11 LEU A 96 -3.591 8.783 6.012 1.00 0.70 H new ATOM 0 HD12 LEU A 96 -5.079 9.627 6.504 1.00 0.70 H new ATOM 0 HD13 LEU A 96 -4.953 7.862 6.691 1.00 0.70 H new ATOM 0 HD21 LEU A 96 -3.538 7.413 4.004 1.00 0.79 H new ATOM 0 HD22 LEU A 96 -4.899 6.411 4.560 1.00 0.79 H new ATOM 0 HD23 LEU A 96 -4.984 7.229 2.982 1.00 0.79 H new ATOM 625 N THR A 97 -9.578 6.747 6.472 1.00 0.24 N ATOM 626 CA THR A 97 -10.950 6.275 6.335 1.00 0.29 C ATOM 627 C THR A 97 -11.936 7.413 6.061 1.00 0.34 C ATOM 628 O THR A 97 -13.132 7.181 5.886 1.00 0.41 O ATOM 629 CB THR A 97 -11.366 5.493 7.592 1.00 0.33 C ATOM 630 OG1 THR A 97 -10.883 6.177 8.756 1.00 0.36 O ATOM 631 CG2 THR A 97 -10.810 4.071 7.561 1.00 0.35 C ATOM 0 H THR A 97 -9.211 6.676 7.421 1.00 0.24 H new ATOM 0 HA THR A 97 -10.982 5.614 5.469 1.00 0.29 H new ATOM 0 HB THR A 97 -12.454 5.432 7.621 1.00 0.33 H new ATOM 0 HG1 THR A 97 -11.148 5.682 9.560 1.00 0.36 H new ATOM 0 HG21 THR A 97 -11.119 3.540 8.461 1.00 0.35 H new ATOM 0 HG22 THR A 97 -11.192 3.550 6.683 1.00 0.35 H new ATOM 0 HG23 THR A 97 -9.722 4.107 7.516 1.00 0.35 H new ATOM 639 N GLU A 98 -11.418 8.637 6.034 1.00 0.34 N ATOM 640 CA GLU A 98 -12.184 9.808 5.626 1.00 0.42 C ATOM 641 C GLU A 98 -12.895 9.550 4.297 1.00 0.38 C ATOM 642 O GLU A 98 -14.121 9.619 4.209 1.00 0.39 O ATOM 643 CB GLU A 98 -11.235 11.013 5.512 1.00 0.52 C ATOM 644 CG GLU A 98 -11.771 12.179 4.692 1.00 0.85 C ATOM 645 CD GLU A 98 -13.052 12.770 5.249 1.00 1.14 C ATOM 646 OE1 GLU A 98 -12.996 13.455 6.293 1.00 1.45 O ATOM 647 OE2 GLU A 98 -14.118 12.561 4.639 1.00 1.39 O ATOM 0 H GLU A 98 -10.454 8.844 6.295 1.00 0.34 H new ATOM 0 HA GLU A 98 -12.948 10.021 6.374 1.00 0.42 H new ATOM 0 HB2 GLU A 98 -11.003 11.370 6.515 1.00 0.52 H new ATOM 0 HB3 GLU A 98 -10.297 10.677 5.069 1.00 0.52 H new ATOM 0 HG2 GLU A 98 -11.011 12.959 4.644 1.00 0.85 H new ATOM 0 HG3 GLU A 98 -11.949 11.843 3.670 1.00 0.85 H new ATOM 654 N THR A 99 -12.123 9.219 3.278 1.00 0.37 N ATOM 655 CA THR A 99 -12.682 8.956 1.963 1.00 0.37 C ATOM 656 C THR A 99 -12.651 7.459 1.659 1.00 0.34 C ATOM 657 O THR A 99 -13.240 6.995 0.684 1.00 0.55 O ATOM 658 CB THR A 99 -11.894 9.725 0.881 1.00 0.44 C ATOM 659 OG1 THR A 99 -11.659 11.069 1.323 1.00 0.50 O ATOM 660 CG2 THR A 99 -12.651 9.758 -0.443 1.00 0.49 C ATOM 0 H THR A 99 -11.109 9.126 3.335 1.00 0.37 H new ATOM 0 HA THR A 99 -13.718 9.296 1.957 1.00 0.37 H new ATOM 0 HB THR A 99 -10.948 9.208 0.722 1.00 0.44 H new ATOM 0 HG1 THR A 99 -11.157 11.556 0.636 1.00 0.50 H new ATOM 0 HG21 THR A 99 -12.068 10.307 -1.182 1.00 0.49 H new ATOM 0 HG22 THR A 99 -12.815 8.739 -0.794 1.00 0.49 H new ATOM 0 HG23 THR A 99 -13.612 10.251 -0.300 1.00 0.49 H new ATOM 668 N GLY A 100 -11.985 6.703 2.522 1.00 0.19 N ATOM 669 CA GLY A 100 -11.787 5.294 2.256 1.00 0.18 C ATOM 670 C GLY A 100 -10.490 5.063 1.526 1.00 0.16 C ATOM 671 O GLY A 100 -10.439 4.297 0.572 1.00 0.21 O ATOM 0 H GLY A 100 -11.581 7.039 3.396 1.00 0.19 H new ATOM 0 HA2 GLY A 100 -11.785 4.739 3.194 1.00 0.18 H new ATOM 0 HA3 GLY A 100 -12.617 4.912 1.662 1.00 0.18 H new ATOM 675 N VAL A 101 -9.457 5.787 1.930 1.00 0.13 N ATOM 676 CA VAL A 101 -8.161 5.693 1.289 1.00 0.14 C ATOM 677 C VAL A 101 -7.183 4.906 2.151 1.00 0.12 C ATOM 678 O VAL A 101 -7.053 5.164 3.344 1.00 0.23 O ATOM 679 CB VAL A 101 -7.559 7.088 1.045 1.00 0.16 C ATOM 680 CG1 VAL A 101 -6.351 6.993 0.135 1.00 0.21 C ATOM 681 CG2 VAL A 101 -8.595 8.052 0.490 1.00 0.23 C ATOM 0 H VAL A 101 -9.496 6.450 2.705 1.00 0.13 H new ATOM 0 HA VAL A 101 -8.317 5.184 0.338 1.00 0.14 H new ATOM 0 HB VAL A 101 -7.231 7.487 2.005 1.00 0.16 H new ATOM 0 HG11 VAL A 101 -5.938 7.989 -0.027 1.00 0.21 H new ATOM 0 HG12 VAL A 101 -5.596 6.358 0.598 1.00 0.21 H new ATOM 0 HG13 VAL A 101 -6.649 6.564 -0.822 1.00 0.21 H new ATOM 0 HG21 VAL A 101 -8.135 9.027 0.330 1.00 0.23 H new ATOM 0 HG22 VAL A 101 -8.976 7.671 -0.457 1.00 0.23 H new ATOM 0 HG23 VAL A 101 -9.417 8.150 1.199 1.00 0.23 H new ATOM 691 N THR A 102 -6.509 3.953 1.546 1.00 0.10 N ATOM 692 CA THR A 102 -5.420 3.258 2.196 1.00 0.09 C ATOM 693 C THR A 102 -4.089 3.636 1.547 1.00 0.09 C ATOM 694 O THR A 102 -3.783 3.210 0.437 1.00 0.10 O ATOM 695 CB THR A 102 -5.600 1.732 2.124 1.00 0.10 C ATOM 696 OG1 THR A 102 -6.867 1.368 2.672 1.00 0.11 O ATOM 697 CG2 THR A 102 -4.501 1.027 2.900 1.00 0.12 C ATOM 0 H THR A 102 -6.699 3.639 0.594 1.00 0.10 H new ATOM 0 HA THR A 102 -5.421 3.558 3.244 1.00 0.09 H new ATOM 0 HB THR A 102 -5.548 1.429 1.078 1.00 0.10 H new ATOM 0 HG1 THR A 102 -6.741 1.000 3.572 1.00 0.11 H new ATOM 0 HG21 THR A 102 -4.646 -0.052 2.837 1.00 0.12 H new ATOM 0 HG22 THR A 102 -3.531 1.288 2.476 1.00 0.12 H new ATOM 0 HG23 THR A 102 -4.536 1.338 3.944 1.00 0.12 H new ATOM 705 N MET A 103 -3.306 4.451 2.229 1.00 0.10 N ATOM 706 CA MET A 103 -1.992 4.827 1.722 1.00 0.10 C ATOM 707 C MET A 103 -0.951 3.795 2.133 1.00 0.10 C ATOM 708 O MET A 103 -0.652 3.647 3.314 1.00 0.13 O ATOM 709 CB MET A 103 -1.564 6.204 2.221 1.00 0.12 C ATOM 710 CG MET A 103 -1.788 7.336 1.228 1.00 0.20 C ATOM 711 SD MET A 103 -3.507 7.827 1.083 1.00 1.26 S ATOM 712 CE MET A 103 -3.339 9.494 0.450 1.00 1.19 C ATOM 0 H MET A 103 -3.551 4.864 3.129 1.00 0.10 H new ATOM 0 HA MET A 103 -2.064 4.865 0.635 1.00 0.10 H new ATOM 0 HB2 MET A 103 -2.109 6.429 3.138 1.00 0.12 H new ATOM 0 HB3 MET A 103 -0.506 6.169 2.480 1.00 0.12 H new ATOM 0 HG2 MET A 103 -1.196 8.199 1.533 1.00 0.20 H new ATOM 0 HG3 MET A 103 -1.422 7.028 0.249 1.00 0.20 H new ATOM 0 HE1 MET A 103 -3.781 10.197 1.156 1.00 1.19 H new ATOM 0 HE2 MET A 103 -2.283 9.728 0.318 1.00 1.19 H new ATOM 0 HE3 MET A 103 -3.851 9.572 -0.509 1.00 1.19 H new ATOM 722 N ILE A 104 -0.414 3.061 1.169 1.00 0.08 N ATOM 723 CA ILE A 104 0.658 2.115 1.459 1.00 0.08 C ATOM 724 C ILE A 104 2.002 2.746 1.204 1.00 0.08 C ATOM 725 O ILE A 104 2.321 3.116 0.081 1.00 0.12 O ATOM 726 CB ILE A 104 0.569 0.801 0.645 1.00 0.08 C ATOM 727 CG1 ILE A 104 -0.542 -0.081 1.193 1.00 0.10 C ATOM 728 CG2 ILE A 104 1.900 0.046 0.660 1.00 0.10 C ATOM 729 CD1 ILE A 104 -1.908 0.297 0.692 1.00 0.10 C ATOM 0 H ILE A 104 -0.697 3.100 0.190 1.00 0.08 H new ATOM 0 HA ILE A 104 0.540 1.858 2.512 1.00 0.08 H new ATOM 0 HB ILE A 104 0.342 1.060 -0.389 1.00 0.08 H new ATOM 0 HG12 ILE A 104 -0.339 -1.118 0.924 1.00 0.10 H new ATOM 0 HG13 ILE A 104 -0.535 -0.027 2.282 1.00 0.10 H new ATOM 0 HG21 ILE A 104 1.804 -0.872 0.080 1.00 0.10 H new ATOM 0 HG22 ILE A 104 2.678 0.672 0.223 1.00 0.10 H new ATOM 0 HG23 ILE A 104 2.167 -0.201 1.688 1.00 0.10 H new ATOM 0 HD11 ILE A 104 -2.652 -0.373 1.123 1.00 0.10 H new ATOM 0 HD12 ILE A 104 -2.132 1.323 0.984 1.00 0.10 H new ATOM 0 HD13 ILE A 104 -1.932 0.216 -0.395 1.00 0.10 H new ATOM 741 N GLU A 105 2.778 2.871 2.254 1.00 0.09 N ATOM 742 CA GLU A 105 4.132 3.349 2.137 1.00 0.10 C ATOM 743 C GLU A 105 5.081 2.171 1.948 1.00 0.10 C ATOM 744 O GLU A 105 5.036 1.205 2.704 1.00 0.13 O ATOM 745 CB GLU A 105 4.500 4.164 3.373 1.00 0.13 C ATOM 746 CG GLU A 105 4.534 5.656 3.108 1.00 0.19 C ATOM 747 CD GLU A 105 4.195 6.483 4.333 1.00 0.35 C ATOM 748 OE1 GLU A 105 3.028 6.451 4.776 1.00 0.48 O ATOM 749 OE2 GLU A 105 5.103 7.158 4.867 1.00 0.45 O ATOM 0 H GLU A 105 2.490 2.646 3.206 1.00 0.09 H new ATOM 0 HA GLU A 105 4.218 3.997 1.265 1.00 0.10 H new ATOM 0 HB2 GLU A 105 3.781 3.957 4.165 1.00 0.13 H new ATOM 0 HB3 GLU A 105 5.476 3.842 3.737 1.00 0.13 H new ATOM 0 HG2 GLU A 105 5.526 5.934 2.752 1.00 0.19 H new ATOM 0 HG3 GLU A 105 3.831 5.894 2.310 1.00 0.19 H new ATOM 756 N LEU A 106 5.892 2.240 0.909 1.00 0.12 N ATOM 757 CA LEU A 106 6.851 1.196 0.588 1.00 0.12 C ATOM 758 C LEU A 106 8.078 1.799 -0.058 1.00 0.16 C ATOM 759 O LEU A 106 7.988 2.473 -1.082 1.00 0.19 O ATOM 760 CB LEU A 106 6.207 0.174 -0.349 1.00 0.12 C ATOM 761 CG LEU A 106 7.129 -0.924 -0.897 1.00 0.14 C ATOM 762 CD1 LEU A 106 6.296 -2.093 -1.341 1.00 0.17 C ATOM 763 CD2 LEU A 106 7.951 -0.440 -2.083 1.00 0.16 C ATOM 0 H LEU A 106 5.905 3.026 0.259 1.00 0.12 H new ATOM 0 HA LEU A 106 7.153 0.693 1.507 1.00 0.12 H new ATOM 0 HB2 LEU A 106 5.383 -0.304 0.181 1.00 0.12 H new ATOM 0 HB3 LEU A 106 5.774 0.710 -1.194 1.00 0.12 H new ATOM 0 HG LEU A 106 7.814 -1.208 -0.098 1.00 0.14 H new ATOM 0 HD11 LEU A 106 6.946 -2.876 -1.731 1.00 0.17 H new ATOM 0 HD12 LEU A 106 5.731 -2.480 -0.493 1.00 0.17 H new ATOM 0 HD13 LEU A 106 5.606 -1.772 -2.121 1.00 0.17 H new ATOM 0 HD21 LEU A 106 8.589 -1.249 -2.438 1.00 0.16 H new ATOM 0 HD22 LEU A 106 7.283 -0.126 -2.885 1.00 0.16 H new ATOM 0 HD23 LEU A 106 8.571 0.402 -1.776 1.00 0.16 H new ATOM 775 N PRO A 107 9.251 1.550 0.509 1.00 0.17 N ATOM 776 CA PRO A 107 10.488 2.072 -0.029 1.00 0.21 C ATOM 777 C PRO A 107 10.860 1.351 -1.307 1.00 0.25 C ATOM 778 O PRO A 107 10.841 0.131 -1.364 1.00 0.20 O ATOM 779 CB PRO A 107 11.500 1.782 1.072 1.00 0.23 C ATOM 780 CG PRO A 107 10.968 0.570 1.734 1.00 0.21 C ATOM 781 CD PRO A 107 9.473 0.694 1.682 1.00 0.17 C ATOM 0 HA PRO A 107 10.432 3.130 -0.287 1.00 0.21 H new ATOM 0 HB2 PRO A 107 12.496 1.610 0.664 1.00 0.23 H new ATOM 0 HB3 PRO A 107 11.581 2.615 1.770 1.00 0.23 H new ATOM 0 HG2 PRO A 107 11.303 -0.333 1.223 1.00 0.21 H new ATOM 0 HG3 PRO A 107 11.319 0.502 2.764 1.00 0.21 H new ATOM 0 HD2 PRO A 107 8.992 -0.277 1.569 1.00 0.17 H new ATOM 0 HD3 PRO A 107 9.074 1.144 2.591 1.00 0.17 H new ATOM 789 N LYS A 108 11.216 2.095 -2.331 1.00 0.40 N ATOM 790 CA LYS A 108 11.584 1.489 -3.602 1.00 0.47 C ATOM 791 C LYS A 108 12.917 0.764 -3.475 1.00 0.50 C ATOM 792 O LYS A 108 13.478 0.276 -4.455 1.00 0.59 O ATOM 793 CB LYS A 108 11.630 2.556 -4.679 1.00 0.62 C ATOM 794 CG LYS A 108 10.276 3.191 -4.900 1.00 0.69 C ATOM 795 CD LYS A 108 10.340 4.412 -5.810 1.00 0.99 C ATOM 796 CE LYS A 108 11.179 5.534 -5.215 1.00 0.68 C ATOM 797 NZ LYS A 108 12.620 5.427 -5.581 1.00 1.10 N ATOM 0 H LYS A 108 11.260 3.114 -2.314 1.00 0.40 H new ATOM 0 HA LYS A 108 10.834 0.750 -3.885 1.00 0.47 H new ATOM 0 HB2 LYS A 108 12.350 3.325 -4.398 1.00 0.62 H new ATOM 0 HB3 LYS A 108 11.981 2.115 -5.612 1.00 0.62 H new ATOM 0 HG2 LYS A 108 9.600 2.454 -5.335 1.00 0.69 H new ATOM 0 HG3 LYS A 108 9.854 3.482 -3.938 1.00 0.69 H new ATOM 0 HD2 LYS A 108 10.757 4.122 -6.774 1.00 0.99 H new ATOM 0 HD3 LYS A 108 9.330 4.777 -5.996 1.00 0.99 H new ATOM 0 HE2 LYS A 108 10.791 6.494 -5.557 1.00 0.68 H new ATOM 0 HE3 LYS A 108 11.081 5.519 -4.129 1.00 0.68 H new ATOM 0 HZ1 LYS A 108 13.198 5.421 -4.717 1.00 1.10 H new ATOM 0 HZ2 LYS A 108 12.779 4.546 -6.110 1.00 1.10 H new ATOM 0 HZ3 LYS A 108 12.889 6.239 -6.172 1.00 1.10 H new ATOM 811 N THR A 109 13.402 0.706 -2.247 1.00 0.47 N ATOM 812 CA THR A 109 14.612 -0.006 -1.919 1.00 0.53 C ATOM 813 C THR A 109 14.310 -1.436 -1.460 1.00 0.46 C ATOM 814 O THR A 109 15.229 -2.241 -1.278 1.00 0.53 O ATOM 815 CB THR A 109 15.386 0.751 -0.837 1.00 0.62 C ATOM 816 OG1 THR A 109 14.504 1.091 0.241 1.00 0.61 O ATOM 817 CG2 THR A 109 15.995 2.014 -1.420 1.00 0.72 C ATOM 0 H THR A 109 12.959 1.158 -1.447 1.00 0.47 H new ATOM 0 HA THR A 109 15.225 -0.069 -2.818 1.00 0.53 H new ATOM 0 HB THR A 109 16.186 0.113 -0.460 1.00 0.62 H new ATOM 0 HG1 THR A 109 15.003 1.574 0.932 1.00 0.61 H new ATOM 0 HG21 THR A 109 16.544 2.546 -0.643 1.00 0.72 H new ATOM 0 HG22 THR A 109 16.676 1.750 -2.229 1.00 0.72 H new ATOM 0 HG23 THR A 109 15.203 2.654 -1.808 1.00 0.72 H new ATOM 825 N VAL A 110 13.021 -1.753 -1.269 1.00 0.34 N ATOM 826 CA VAL A 110 12.611 -3.132 -0.999 1.00 0.28 C ATOM 827 C VAL A 110 13.008 -4.045 -2.157 1.00 0.25 C ATOM 828 O VAL A 110 13.278 -3.578 -3.269 1.00 0.28 O ATOM 829 CB VAL A 110 11.091 -3.295 -0.789 1.00 0.21 C ATOM 830 CG1 VAL A 110 10.548 -2.302 0.211 1.00 0.21 C ATOM 831 CG2 VAL A 110 10.337 -3.210 -2.093 1.00 0.17 C ATOM 0 H VAL A 110 12.255 -1.080 -1.297 1.00 0.34 H new ATOM 0 HA VAL A 110 13.121 -3.405 -0.075 1.00 0.28 H new ATOM 0 HB VAL A 110 10.938 -4.293 -0.377 1.00 0.21 H new ATOM 0 HG11 VAL A 110 9.475 -2.453 0.328 1.00 0.21 H new ATOM 0 HG12 VAL A 110 11.041 -2.447 1.172 1.00 0.21 H new ATOM 0 HG13 VAL A 110 10.735 -1.289 -0.144 1.00 0.21 H new ATOM 0 HG21 VAL A 110 9.270 -3.329 -1.905 1.00 0.17 H new ATOM 0 HG22 VAL A 110 10.518 -2.240 -2.555 1.00 0.17 H new ATOM 0 HG23 VAL A 110 10.678 -4.000 -2.762 1.00 0.17 H new ATOM 841 N SER A 111 13.062 -5.339 -1.891 1.00 0.24 N ATOM 842 CA SER A 111 13.187 -6.319 -2.954 1.00 0.22 C ATOM 843 C SER A 111 11.988 -6.174 -3.889 1.00 0.17 C ATOM 844 O SER A 111 10.883 -5.893 -3.430 1.00 0.18 O ATOM 845 CB SER A 111 13.238 -7.730 -2.359 1.00 0.27 C ATOM 846 OG SER A 111 13.402 -8.713 -3.366 1.00 0.96 O ATOM 0 H SER A 111 13.021 -5.733 -0.951 1.00 0.24 H new ATOM 0 HA SER A 111 14.108 -6.153 -3.513 1.00 0.22 H new ATOM 0 HB2 SER A 111 14.061 -7.796 -1.647 1.00 0.27 H new ATOM 0 HB3 SER A 111 12.320 -7.925 -1.804 1.00 0.27 H new ATOM 0 HG SER A 111 13.432 -9.602 -2.954 1.00 0.96 H new ATOM 852 N GLU A 112 12.191 -6.358 -5.188 1.00 0.21 N ATOM 853 CA GLU A 112 11.118 -6.138 -6.157 1.00 0.26 C ATOM 854 C GLU A 112 9.930 -7.061 -5.877 1.00 0.24 C ATOM 855 O GLU A 112 8.815 -6.789 -6.298 1.00 0.28 O ATOM 856 CB GLU A 112 11.620 -6.345 -7.585 1.00 0.35 C ATOM 857 CG GLU A 112 10.599 -5.970 -8.643 1.00 0.46 C ATOM 858 CD GLU A 112 11.023 -6.377 -10.032 1.00 0.63 C ATOM 859 OE1 GLU A 112 10.853 -7.562 -10.389 1.00 0.80 O ATOM 860 OE2 GLU A 112 11.540 -5.518 -10.772 1.00 1.03 O ATOM 0 H GLU A 112 13.078 -6.656 -5.594 1.00 0.21 H new ATOM 0 HA GLU A 112 10.786 -5.105 -6.053 1.00 0.26 H new ATOM 0 HB2 GLU A 112 12.522 -5.752 -7.735 1.00 0.35 H new ATOM 0 HB3 GLU A 112 11.901 -7.390 -7.716 1.00 0.35 H new ATOM 0 HG2 GLU A 112 9.646 -6.442 -8.406 1.00 0.46 H new ATOM 0 HG3 GLU A 112 10.436 -4.893 -8.619 1.00 0.46 H new ATOM 867 N HIS A 113 10.166 -8.146 -5.152 1.00 0.23 N ATOM 868 CA HIS A 113 9.079 -9.031 -4.722 1.00 0.27 C ATOM 869 C HIS A 113 8.054 -8.256 -3.892 1.00 0.25 C ATOM 870 O HIS A 113 6.860 -8.546 -3.912 1.00 0.41 O ATOM 871 CB HIS A 113 9.632 -10.186 -3.889 1.00 0.32 C ATOM 872 CG HIS A 113 10.388 -11.217 -4.675 1.00 0.40 C ATOM 873 ND1 HIS A 113 10.708 -12.461 -4.173 1.00 0.71 N ATOM 874 CD2 HIS A 113 10.899 -11.179 -5.926 1.00 0.46 C ATOM 875 CE1 HIS A 113 11.377 -13.142 -5.085 1.00 0.73 C ATOM 876 NE2 HIS A 113 11.506 -12.386 -6.156 1.00 0.55 N ATOM 0 H HIS A 113 11.095 -8.438 -4.848 1.00 0.23 H new ATOM 0 HA HIS A 113 8.593 -9.428 -5.613 1.00 0.27 H new ATOM 0 HB2 HIS A 113 10.290 -9.780 -3.120 1.00 0.32 H new ATOM 0 HB3 HIS A 113 8.804 -10.675 -3.375 1.00 0.32 H new ATOM 0 HD2 HIS A 113 10.840 -10.351 -6.616 1.00 0.46 H new ATOM 0 HE1 HIS A 113 11.754 -14.148 -4.972 1.00 0.73 H new ATOM 0 HE2 HIS A 113 11.981 -12.655 -7.017 1.00 0.55 H new ATOM 885 N ASP A 114 8.547 -7.252 -3.188 1.00 0.23 N ATOM 886 CA ASP A 114 7.739 -6.428 -2.294 1.00 0.26 C ATOM 887 C ASP A 114 7.189 -5.227 -3.057 1.00 0.25 C ATOM 888 O ASP A 114 5.993 -4.939 -3.018 1.00 0.33 O ATOM 889 CB ASP A 114 8.637 -6.002 -1.125 1.00 0.31 C ATOM 890 CG ASP A 114 7.969 -5.233 -0.015 1.00 1.20 C ATOM 891 OD1 ASP A 114 7.480 -5.862 0.929 1.00 1.13 O ATOM 892 OD2 ASP A 114 7.870 -3.996 -0.131 1.00 2.05 O ATOM 0 H ASP A 114 9.530 -6.980 -3.218 1.00 0.23 H new ATOM 0 HA ASP A 114 6.882 -6.979 -1.908 1.00 0.26 H new ATOM 0 HB2 ASP A 114 9.089 -6.897 -0.697 1.00 0.31 H new ATOM 0 HB3 ASP A 114 9.449 -5.393 -1.522 1.00 0.31 H new ATOM 897 N MET A 115 8.065 -4.577 -3.810 1.00 0.23 N ATOM 898 CA MET A 115 7.698 -3.390 -4.574 1.00 0.23 C ATOM 899 C MET A 115 6.769 -3.740 -5.729 1.00 0.24 C ATOM 900 O MET A 115 5.860 -2.986 -6.065 1.00 0.47 O ATOM 901 CB MET A 115 8.948 -2.703 -5.118 1.00 0.20 C ATOM 902 CG MET A 115 8.658 -1.393 -5.825 1.00 0.22 C ATOM 903 SD MET A 115 10.123 -0.675 -6.594 1.00 0.22 S ATOM 904 CE MET A 115 9.379 0.648 -7.545 1.00 1.62 C ATOM 0 H MET A 115 9.042 -4.853 -3.909 1.00 0.23 H new ATOM 0 HA MET A 115 7.173 -2.713 -3.900 1.00 0.23 H new ATOM 0 HB2 MET A 115 9.639 -2.518 -4.295 1.00 0.20 H new ATOM 0 HB3 MET A 115 9.451 -3.377 -5.811 1.00 0.20 H new ATOM 0 HG2 MET A 115 7.897 -1.558 -6.587 1.00 0.22 H new ATOM 0 HG3 MET A 115 8.244 -0.683 -5.109 1.00 0.22 H new ATOM 0 HE1 MET A 115 10.137 1.392 -7.788 1.00 1.62 H new ATOM 0 HE2 MET A 115 8.960 0.243 -8.466 1.00 1.62 H new ATOM 0 HE3 MET A 115 8.586 1.115 -6.960 1.00 1.62 H new ATOM 914 N ASP A 116 7.016 -4.867 -6.361 1.00 0.15 N ATOM 915 CA ASP A 116 6.179 -5.298 -7.466 1.00 0.18 C ATOM 916 C ASP A 116 5.017 -6.136 -6.970 1.00 0.19 C ATOM 917 O ASP A 116 3.879 -5.699 -7.029 1.00 0.24 O ATOM 918 CB ASP A 116 6.985 -6.076 -8.501 1.00 0.23 C ATOM 919 CG ASP A 116 6.174 -6.411 -9.738 1.00 0.42 C ATOM 920 OD1 ASP A 116 5.589 -5.485 -10.337 1.00 0.61 O ATOM 921 OD2 ASP A 116 6.116 -7.602 -10.113 1.00 0.64 O ATOM 0 H ASP A 116 7.783 -5.499 -6.133 1.00 0.15 H new ATOM 0 HA ASP A 116 5.783 -4.403 -7.945 1.00 0.18 H new ATOM 0 HB2 ASP A 116 7.858 -5.492 -8.791 1.00 0.23 H new ATOM 0 HB3 ASP A 116 7.353 -6.998 -8.051 1.00 0.23 H new ATOM 926 N GLN A 117 5.313 -7.318 -6.442 1.00 0.17 N ATOM 927 CA GLN A 117 4.268 -8.286 -6.115 1.00 0.18 C ATOM 928 C GLN A 117 3.427 -7.876 -4.902 1.00 0.15 C ATOM 929 O GLN A 117 2.230 -8.132 -4.886 1.00 0.17 O ATOM 930 CB GLN A 117 4.854 -9.681 -5.900 1.00 0.23 C ATOM 931 CG GLN A 117 3.798 -10.738 -5.608 1.00 0.96 C ATOM 932 CD GLN A 117 4.379 -12.119 -5.391 1.00 1.67 C ATOM 933 OE1 GLN A 117 5.417 -12.467 -5.955 1.00 2.42 O ATOM 934 NE2 GLN A 117 3.709 -12.922 -4.580 1.00 2.30 N ATOM 0 H GLN A 117 6.261 -7.630 -6.232 1.00 0.17 H new ATOM 0 HA GLN A 117 3.600 -8.307 -6.976 1.00 0.18 H new ATOM 0 HB2 GLN A 117 5.415 -9.973 -6.788 1.00 0.23 H new ATOM 0 HB3 GLN A 117 5.563 -9.647 -5.072 1.00 0.23 H new ATOM 0 HG2 GLN A 117 3.235 -10.445 -4.722 1.00 0.96 H new ATOM 0 HG3 GLN A 117 3.091 -10.775 -6.437 1.00 0.96 H new ATOM 0 HE21 GLN A 117 2.853 -12.596 -4.132 1.00 2.30 H new ATOM 0 HE22 GLN A 117 4.049 -13.867 -4.403 1.00 2.30 H new ATOM 943 N LEU A 118 4.016 -7.251 -3.885 1.00 0.14 N ATOM 944 CA LEU A 118 3.218 -6.827 -2.733 1.00 0.13 C ATOM 945 C LEU A 118 2.410 -5.580 -3.046 1.00 0.12 C ATOM 946 O LEU A 118 1.248 -5.480 -2.663 1.00 0.13 O ATOM 947 CB LEU A 118 4.049 -6.621 -1.482 1.00 0.12 C ATOM 948 CG LEU A 118 4.375 -7.909 -0.724 1.00 0.15 C ATOM 949 CD1 LEU A 118 5.296 -7.623 0.438 1.00 0.18 C ATOM 950 CD2 LEU A 118 3.105 -8.579 -0.217 1.00 0.16 C ATOM 0 H LEU A 118 5.011 -7.031 -3.831 1.00 0.14 H new ATOM 0 HA LEU A 118 2.529 -7.646 -2.527 1.00 0.13 H new ATOM 0 HB2 LEU A 118 4.982 -6.129 -1.757 1.00 0.12 H new ATOM 0 HB3 LEU A 118 3.516 -5.945 -0.813 1.00 0.12 H new ATOM 0 HG LEU A 118 4.875 -8.585 -1.418 1.00 0.15 H new ATOM 0 HD11 LEU A 118 5.516 -8.551 0.965 1.00 0.18 H new ATOM 0 HD12 LEU A 118 6.224 -7.187 0.068 1.00 0.18 H new ATOM 0 HD13 LEU A 118 4.814 -6.924 1.121 1.00 0.18 H new ATOM 0 HD21 LEU A 118 3.364 -9.492 0.318 1.00 0.16 H new ATOM 0 HD22 LEU A 118 2.580 -7.901 0.456 1.00 0.16 H new ATOM 0 HD23 LEU A 118 2.461 -8.824 -1.061 1.00 0.16 H new ATOM 962 N LEU A 119 3.013 -4.629 -3.744 1.00 0.13 N ATOM 963 CA LEU A 119 2.227 -3.505 -4.278 1.00 0.13 C ATOM 964 C LEU A 119 1.214 -4.004 -5.297 1.00 0.13 C ATOM 965 O LEU A 119 0.248 -3.318 -5.626 1.00 0.14 O ATOM 966 CB LEU A 119 3.103 -2.435 -4.920 1.00 0.14 C ATOM 967 CG LEU A 119 4.081 -1.747 -3.976 1.00 0.11 C ATOM 968 CD1 LEU A 119 4.655 -0.500 -4.623 1.00 0.12 C ATOM 969 CD2 LEU A 119 3.406 -1.422 -2.650 1.00 0.17 C ATOM 0 H LEU A 119 4.011 -4.602 -3.954 1.00 0.13 H new ATOM 0 HA LEU A 119 1.712 -3.051 -3.431 1.00 0.13 H new ATOM 0 HB2 LEU A 119 3.667 -2.890 -5.734 1.00 0.14 H new ATOM 0 HB3 LEU A 119 2.457 -1.677 -5.364 1.00 0.14 H new ATOM 0 HG LEU A 119 4.907 -2.428 -3.771 1.00 0.11 H new ATOM 0 HD11 LEU A 119 5.352 -0.021 -3.935 1.00 0.12 H new ATOM 0 HD12 LEU A 119 5.180 -0.774 -5.538 1.00 0.12 H new ATOM 0 HD13 LEU A 119 3.847 0.191 -4.861 1.00 0.12 H new ATOM 0 HD21 LEU A 119 4.120 -0.931 -1.989 1.00 0.17 H new ATOM 0 HD22 LEU A 119 2.559 -0.759 -2.826 1.00 0.17 H new ATOM 0 HD23 LEU A 119 3.055 -2.343 -2.185 1.00 0.17 H new ATOM 981 N HIS A 120 1.454 -5.194 -5.808 1.00 0.13 N ATOM 982 CA HIS A 120 0.528 -5.831 -6.720 1.00 0.13 C ATOM 983 C HIS A 120 -0.491 -6.648 -5.942 1.00 0.13 C ATOM 984 O HIS A 120 -1.544 -6.977 -6.466 1.00 0.14 O ATOM 985 CB HIS A 120 1.286 -6.736 -7.673 1.00 0.14 C ATOM 986 CG HIS A 120 0.553 -7.072 -8.939 1.00 0.21 C ATOM 987 ND1 HIS A 120 0.827 -6.453 -10.139 1.00 0.30 N ATOM 988 CD2 HIS A 120 -0.424 -7.975 -9.200 1.00 0.25 C ATOM 989 CE1 HIS A 120 0.049 -6.953 -11.078 1.00 0.37 C ATOM 990 NE2 HIS A 120 -0.717 -7.878 -10.537 1.00 0.34 N ATOM 0 H HIS A 120 2.289 -5.743 -5.605 1.00 0.13 H new ATOM 0 HA HIS A 120 0.008 -5.061 -7.290 1.00 0.13 H new ATOM 0 HB2 HIS A 120 2.230 -6.257 -7.933 1.00 0.14 H new ATOM 0 HB3 HIS A 120 1.531 -7.663 -7.154 1.00 0.14 H new ATOM 0 HD2 HIS A 120 -0.885 -8.645 -8.489 1.00 0.25 H new ATOM 0 HE1 HIS A 120 0.041 -6.655 -12.116 1.00 0.37 H new ATOM 0 HE2 HIS A 120 -1.415 -8.433 -11.032 1.00 0.34 H new ATOM 999 N ASP A 121 -0.161 -6.988 -4.692 1.00 0.12 N ATOM 1000 CA ASP A 121 -1.101 -7.681 -3.806 1.00 0.12 C ATOM 1001 C ASP A 121 -2.227 -6.722 -3.520 1.00 0.11 C ATOM 1002 O ASP A 121 -3.372 -7.101 -3.277 1.00 0.13 O ATOM 1003 CB ASP A 121 -0.449 -8.093 -2.483 1.00 0.14 C ATOM 1004 CG ASP A 121 -1.190 -9.220 -1.789 1.00 0.23 C ATOM 1005 OD1 ASP A 121 -0.897 -10.401 -2.079 1.00 0.42 O ATOM 1006 OD2 ASP A 121 -2.046 -8.938 -0.929 1.00 0.42 O ATOM 0 H ASP A 121 0.748 -6.795 -4.272 1.00 0.12 H new ATOM 0 HA ASP A 121 -1.448 -8.592 -4.293 1.00 0.12 H new ATOM 0 HB2 ASP A 121 0.579 -8.402 -2.671 1.00 0.14 H new ATOM 0 HB3 ASP A 121 -0.407 -7.229 -1.819 1.00 0.14 H new ATOM 1011 N ILE A 122 -1.856 -5.456 -3.557 1.00 0.10 N ATOM 1012 CA ILE A 122 -2.802 -4.375 -3.526 1.00 0.10 C ATOM 1013 C ILE A 122 -3.799 -4.548 -4.657 1.00 0.10 C ATOM 1014 O ILE A 122 -5.004 -4.648 -4.434 1.00 0.11 O ATOM 1015 CB ILE A 122 -2.077 -3.025 -3.668 1.00 0.10 C ATOM 1016 CG1 ILE A 122 -1.045 -2.902 -2.552 1.00 0.10 C ATOM 1017 CG2 ILE A 122 -3.071 -1.877 -3.641 1.00 0.11 C ATOM 1018 CD1 ILE A 122 -0.326 -1.577 -2.498 1.00 0.10 C ATOM 0 H ILE A 122 -0.883 -5.155 -3.610 1.00 0.10 H new ATOM 0 HA ILE A 122 -3.327 -4.387 -2.571 1.00 0.10 H new ATOM 0 HB ILE A 122 -1.565 -2.979 -4.629 1.00 0.10 H new ATOM 0 HG12 ILE A 122 -1.542 -3.069 -1.596 1.00 0.10 H new ATOM 0 HG13 ILE A 122 -0.307 -3.695 -2.670 1.00 0.10 H new ATOM 0 HG21 ILE A 122 -2.538 -0.932 -3.743 1.00 0.11 H new ATOM 0 HG22 ILE A 122 -3.776 -1.987 -4.465 1.00 0.11 H new ATOM 0 HG23 ILE A 122 -3.614 -1.888 -2.696 1.00 0.11 H new ATOM 0 HD11 ILE A 122 0.387 -1.583 -1.674 1.00 0.10 H new ATOM 0 HD12 ILE A 122 0.205 -1.413 -3.436 1.00 0.10 H new ATOM 0 HD13 ILE A 122 -1.050 -0.776 -2.346 1.00 0.10 H new ATOM 1030 N LEU A 123 -3.268 -4.634 -5.866 1.00 0.11 N ATOM 1031 CA LEU A 123 -4.079 -4.836 -7.058 1.00 0.12 C ATOM 1032 C LEU A 123 -4.752 -6.204 -7.045 1.00 0.13 C ATOM 1033 O LEU A 123 -5.818 -6.387 -7.633 1.00 0.14 O ATOM 1034 CB LEU A 123 -3.223 -4.699 -8.318 1.00 0.14 C ATOM 1035 CG LEU A 123 -3.048 -3.276 -8.853 1.00 0.15 C ATOM 1036 CD1 LEU A 123 -2.299 -2.410 -7.856 1.00 0.16 C ATOM 1037 CD2 LEU A 123 -2.322 -3.304 -10.186 1.00 0.20 C ATOM 0 H LEU A 123 -2.267 -4.566 -6.050 1.00 0.11 H new ATOM 0 HA LEU A 123 -4.853 -4.069 -7.062 1.00 0.12 H new ATOM 0 HB2 LEU A 123 -2.236 -5.113 -8.111 1.00 0.14 H new ATOM 0 HB3 LEU A 123 -3.666 -5.310 -9.104 1.00 0.14 H new ATOM 0 HG LEU A 123 -4.036 -2.840 -9.001 1.00 0.15 H new ATOM 0 HD11 LEU A 123 -2.188 -1.404 -8.260 1.00 0.16 H new ATOM 0 HD12 LEU A 123 -2.857 -2.366 -6.921 1.00 0.16 H new ATOM 0 HD13 LEU A 123 -1.314 -2.838 -7.671 1.00 0.16 H new ATOM 0 HD21 LEU A 123 -2.203 -2.286 -10.557 1.00 0.20 H new ATOM 0 HD22 LEU A 123 -1.340 -3.760 -10.056 1.00 0.20 H new ATOM 0 HD23 LEU A 123 -2.900 -3.886 -10.903 1.00 0.20 H new ATOM 1049 N ALA A 124 -4.120 -7.154 -6.370 1.00 0.14 N ATOM 1050 CA ALA A 124 -4.664 -8.495 -6.199 1.00 0.16 C ATOM 1051 C ALA A 124 -5.991 -8.435 -5.462 1.00 0.17 C ATOM 1052 O ALA A 124 -6.834 -9.324 -5.578 1.00 0.23 O ATOM 1053 CB ALA A 124 -3.676 -9.361 -5.430 1.00 0.17 C ATOM 0 H ALA A 124 -3.213 -7.017 -5.924 1.00 0.14 H new ATOM 0 HA ALA A 124 -4.832 -8.935 -7.182 1.00 0.16 H new ATOM 0 HB1 ALA A 124 -4.089 -10.362 -5.306 1.00 0.17 H new ATOM 0 HB2 ALA A 124 -2.738 -9.422 -5.983 1.00 0.17 H new ATOM 0 HB3 ALA A 124 -3.492 -8.920 -4.450 1.00 0.17 H new ATOM 1059 N ALA A 125 -6.163 -7.362 -4.718 1.00 0.13 N ATOM 1060 CA ALA A 125 -7.356 -7.142 -3.937 1.00 0.14 C ATOM 1061 C ALA A 125 -8.214 -6.076 -4.592 1.00 0.14 C ATOM 1062 O ALA A 125 -9.163 -5.569 -4.004 1.00 0.20 O ATOM 1063 CB ALA A 125 -6.960 -6.734 -2.537 1.00 0.15 C ATOM 0 H ALA A 125 -5.473 -6.615 -4.640 1.00 0.13 H new ATOM 0 HA ALA A 125 -7.942 -8.060 -3.885 1.00 0.14 H new ATOM 0 HB1 ALA A 125 -7.856 -6.566 -1.940 1.00 0.15 H new ATOM 0 HB2 ALA A 125 -6.364 -7.525 -2.082 1.00 0.15 H new ATOM 0 HB3 ALA A 125 -6.373 -5.816 -2.578 1.00 0.15 H new ATOM 1069 N GLY A 126 -7.849 -5.725 -5.814 1.00 0.13 N ATOM 1070 CA GLY A 126 -8.566 -4.705 -6.540 1.00 0.16 C ATOM 1071 C GLY A 126 -8.043 -3.334 -6.214 1.00 0.15 C ATOM 1072 O GLY A 126 -8.356 -2.362 -6.899 1.00 0.21 O ATOM 0 H GLY A 126 -7.062 -6.133 -6.318 1.00 0.13 H new ATOM 0 HA2 GLY A 126 -8.475 -4.886 -7.611 1.00 0.16 H new ATOM 0 HA3 GLY A 126 -9.627 -4.760 -6.296 1.00 0.16 H new ATOM 1076 N GLY A 127 -7.221 -3.279 -5.176 1.00 0.15 N ATOM 1077 CA GLY A 127 -6.634 -2.042 -4.722 1.00 0.16 C ATOM 1078 C GLY A 127 -5.915 -1.299 -5.824 1.00 0.19 C ATOM 1079 O GLY A 127 -5.221 -1.899 -6.644 1.00 0.35 O ATOM 0 H GLY A 127 -6.947 -4.095 -4.629 1.00 0.15 H new ATOM 0 HA2 GLY A 127 -7.415 -1.404 -4.309 1.00 0.16 H new ATOM 0 HA3 GLY A 127 -5.933 -2.252 -3.914 1.00 0.16 H new ATOM 1083 N VAL A 128 -6.101 0.004 -5.853 1.00 0.16 N ATOM 1084 CA VAL A 128 -5.479 0.844 -6.856 1.00 0.22 C ATOM 1085 C VAL A 128 -4.341 1.642 -6.240 1.00 0.18 C ATOM 1086 O VAL A 128 -4.474 2.166 -5.143 1.00 0.36 O ATOM 1087 CB VAL A 128 -6.511 1.793 -7.491 1.00 0.40 C ATOM 1088 CG1 VAL A 128 -7.505 1.000 -8.328 1.00 1.05 C ATOM 1089 CG2 VAL A 128 -7.236 2.601 -6.421 1.00 0.64 C ATOM 0 H VAL A 128 -6.684 0.509 -5.186 1.00 0.16 H new ATOM 0 HA VAL A 128 -5.077 0.202 -7.640 1.00 0.22 H new ATOM 0 HB VAL A 128 -5.984 2.492 -8.141 1.00 0.40 H new ATOM 0 HG11 VAL A 128 -8.231 1.681 -8.773 1.00 1.05 H new ATOM 0 HG12 VAL A 128 -6.974 0.469 -9.118 1.00 1.05 H new ATOM 0 HG13 VAL A 128 -8.023 0.281 -7.693 1.00 1.05 H new ATOM 0 HG21 VAL A 128 -7.960 3.264 -6.894 1.00 0.64 H new ATOM 0 HG22 VAL A 128 -7.754 1.924 -5.742 1.00 0.64 H new ATOM 0 HG23 VAL A 128 -6.513 3.194 -5.861 1.00 0.64 H new ATOM 1099 N VAL A 129 -3.222 1.727 -6.935 1.00 0.21 N ATOM 1100 CA VAL A 129 -2.035 2.339 -6.361 1.00 0.20 C ATOM 1101 C VAL A 129 -1.773 3.723 -6.940 1.00 0.23 C ATOM 1102 O VAL A 129 -1.956 3.960 -8.136 1.00 0.32 O ATOM 1103 CB VAL A 129 -0.788 1.449 -6.558 1.00 0.24 C ATOM 1104 CG1 VAL A 129 -0.954 0.142 -5.802 1.00 0.21 C ATOM 1105 CG2 VAL A 129 -0.529 1.182 -8.034 1.00 0.31 C ATOM 0 H VAL A 129 -3.109 1.384 -7.889 1.00 0.21 H new ATOM 0 HA VAL A 129 -2.228 2.444 -5.293 1.00 0.20 H new ATOM 0 HB VAL A 129 0.076 1.981 -6.159 1.00 0.24 H new ATOM 0 HG11 VAL A 129 -0.069 -0.478 -5.948 1.00 0.21 H new ATOM 0 HG12 VAL A 129 -1.080 0.350 -4.739 1.00 0.21 H new ATOM 0 HG13 VAL A 129 -1.832 -0.385 -6.175 1.00 0.21 H new ATOM 0 HG21 VAL A 129 0.355 0.553 -8.140 1.00 0.31 H new ATOM 0 HG22 VAL A 129 -1.390 0.674 -8.468 1.00 0.31 H new ATOM 0 HG23 VAL A 129 -0.366 2.127 -8.552 1.00 0.31 H new ATOM 1115 N GLY A 130 -1.362 4.639 -6.076 1.00 0.35 N ATOM 1116 CA GLY A 130 -1.005 5.973 -6.512 1.00 0.36 C ATOM 1117 C GLY A 130 0.439 6.302 -6.182 1.00 0.44 C ATOM 1118 O GLY A 130 1.218 5.409 -5.849 1.00 0.85 O ATOM 0 H GLY A 130 -1.269 4.480 -5.073 1.00 0.35 H new ATOM 0 HA2 GLY A 130 -1.161 6.059 -7.587 1.00 0.36 H new ATOM 0 HA3 GLY A 130 -1.662 6.700 -6.035 1.00 0.36 H new ATOM 1122 N LEU A 131 0.796 7.577 -6.281 1.00 0.32 N ATOM 1123 CA LEU A 131 2.145 8.034 -5.955 1.00 0.33 C ATOM 1124 C LEU A 131 2.098 9.276 -5.069 1.00 0.32 C ATOM 1125 O LEU A 131 2.217 10.407 -5.540 1.00 0.45 O ATOM 1126 CB LEU A 131 2.950 8.309 -7.228 1.00 0.37 C ATOM 1127 CG LEU A 131 3.376 7.058 -8.004 1.00 0.46 C ATOM 1128 CD1 LEU A 131 4.135 7.442 -9.261 1.00 0.97 C ATOM 1129 CD2 LEU A 131 4.226 6.145 -7.129 1.00 1.17 C ATOM 0 H LEU A 131 0.166 8.319 -6.587 1.00 0.32 H new ATOM 0 HA LEU A 131 2.645 7.239 -5.401 1.00 0.33 H new ATOM 0 HB2 LEU A 131 2.356 8.943 -7.887 1.00 0.37 H new ATOM 0 HB3 LEU A 131 3.843 8.875 -6.961 1.00 0.37 H new ATOM 0 HG LEU A 131 2.476 6.516 -8.295 1.00 0.46 H new ATOM 0 HD11 LEU A 131 4.429 6.540 -9.798 1.00 0.97 H new ATOM 0 HD12 LEU A 131 3.497 8.053 -9.899 1.00 0.97 H new ATOM 0 HD13 LEU A 131 5.025 8.009 -8.989 1.00 0.97 H new ATOM 0 HD21 LEU A 131 4.518 5.263 -7.699 1.00 1.17 H new ATOM 0 HD22 LEU A 131 5.119 6.680 -6.805 1.00 1.17 H new ATOM 0 HD23 LEU A 131 3.650 5.838 -6.256 1.00 1.17 H new ATOM 1141 N ASP A 132 1.890 9.044 -3.784 1.00 0.24 N ATOM 1142 CA ASP A 132 1.916 10.095 -2.773 1.00 0.23 C ATOM 1143 C ASP A 132 3.343 10.333 -2.337 1.00 0.39 C ATOM 1144 O ASP A 132 3.708 10.077 -1.188 1.00 0.90 O ATOM 1145 CB ASP A 132 1.049 9.714 -1.574 1.00 0.25 C ATOM 1146 CG ASP A 132 -0.419 9.887 -1.866 1.00 0.65 C ATOM 1147 OD1 ASP A 132 -0.961 9.102 -2.669 1.00 1.06 O ATOM 1148 OD2 ASP A 132 -1.030 10.833 -1.320 1.00 0.98 O ATOM 0 H ASP A 132 1.697 8.116 -3.407 1.00 0.24 H new ATOM 0 HA ASP A 132 1.511 11.012 -3.202 1.00 0.23 H new ATOM 0 HB2 ASP A 132 1.245 8.678 -1.299 1.00 0.25 H new ATOM 0 HB3 ASP A 132 1.324 10.329 -0.717 1.00 0.25 H new ATOM 1153 N SER A 133 4.140 10.803 -3.288 1.00 0.55 N ATOM 1154 CA SER A 133 5.565 11.012 -3.098 1.00 0.69 C ATOM 1155 C SER A 133 6.295 9.678 -2.981 1.00 0.56 C ATOM 1156 O SER A 133 5.763 8.700 -2.443 1.00 0.87 O ATOM 1157 CB SER A 133 5.837 11.853 -1.850 1.00 0.95 C ATOM 1158 OG SER A 133 4.967 12.972 -1.780 1.00 1.30 O ATOM 0 H SER A 133 3.810 11.051 -4.221 1.00 0.55 H new ATOM 0 HA SER A 133 5.937 11.549 -3.971 1.00 0.69 H new ATOM 0 HB2 SER A 133 5.712 11.237 -0.960 1.00 0.95 H new ATOM 0 HB3 SER A 133 6.872 12.195 -1.858 1.00 0.95 H new ATOM 0 HG SER A 133 5.164 13.489 -0.971 1.00 1.30 H new ATOM 1164 N GLU A 134 7.508 9.627 -3.492 1.00 0.53 N ATOM 1165 CA GLU A 134 8.343 8.467 -3.279 1.00 0.56 C ATOM 1166 C GLU A 134 8.908 8.519 -1.863 1.00 0.58 C ATOM 1167 O GLU A 134 8.527 9.413 -1.108 1.00 1.01 O ATOM 1168 CB GLU A 134 9.427 8.363 -4.347 1.00 0.88 C ATOM 1169 CG GLU A 134 10.363 9.550 -4.416 1.00 0.95 C ATOM 1170 CD GLU A 134 11.383 9.416 -5.519 1.00 1.45 C ATOM 1171 OE1 GLU A 134 12.455 8.829 -5.274 1.00 1.85 O ATOM 1172 OE2 GLU A 134 11.123 9.906 -6.635 1.00 1.80 O ATOM 0 H GLU A 134 7.932 10.367 -4.051 1.00 0.53 H new ATOM 0 HA GLU A 134 7.748 7.559 -3.374 1.00 0.56 H new ATOM 0 HB2 GLU A 134 10.015 7.464 -4.162 1.00 0.88 H new ATOM 0 HB3 GLU A 134 8.950 8.237 -5.319 1.00 0.88 H new ATOM 0 HG2 GLU A 134 9.782 10.459 -4.571 1.00 0.95 H new ATOM 0 HG3 GLU A 134 10.877 9.660 -3.461 1.00 0.95 H new ATOM 1179 N VAL A 135 9.824 7.589 -1.534 1.00 0.43 N ATOM 1180 CA VAL A 135 10.202 7.275 -0.137 1.00 0.38 C ATOM 1181 C VAL A 135 9.839 8.376 0.872 1.00 0.42 C ATOM 1182 O VAL A 135 10.591 9.327 1.078 1.00 0.52 O ATOM 1183 CB VAL A 135 11.703 6.938 -0.013 1.00 0.46 C ATOM 1184 CG1 VAL A 135 11.953 5.504 -0.450 1.00 0.41 C ATOM 1185 CG2 VAL A 135 12.560 7.894 -0.831 1.00 0.62 C ATOM 0 H VAL A 135 10.325 7.032 -2.227 1.00 0.43 H new ATOM 0 HA VAL A 135 9.608 6.398 0.118 1.00 0.38 H new ATOM 0 HB VAL A 135 11.986 7.050 1.034 1.00 0.46 H new ATOM 0 HG11 VAL A 135 13.015 5.276 -0.359 1.00 0.41 H new ATOM 0 HG12 VAL A 135 11.380 4.826 0.183 1.00 0.41 H new ATOM 0 HG13 VAL A 135 11.643 5.381 -1.488 1.00 0.41 H new ATOM 0 HG21 VAL A 135 13.611 7.627 -0.720 1.00 0.62 H new ATOM 0 HG22 VAL A 135 12.278 7.827 -1.882 1.00 0.62 H new ATOM 0 HG23 VAL A 135 12.406 8.914 -0.478 1.00 0.62 H new ATOM 1195 N LYS A 136 8.678 8.175 1.512 1.00 0.40 N ATOM 1196 CA LYS A 136 8.053 9.116 2.450 1.00 0.50 C ATOM 1197 C LYS A 136 8.308 10.576 2.119 1.00 0.54 C ATOM 1198 O LYS A 136 9.213 11.211 2.659 1.00 0.52 O ATOM 1199 CB LYS A 136 8.390 8.788 3.902 1.00 0.60 C ATOM 1200 CG LYS A 136 9.777 8.230 4.117 1.00 0.59 C ATOM 1201 CD LYS A 136 9.909 7.634 5.507 1.00 1.23 C ATOM 1202 CE LYS A 136 9.546 8.637 6.586 1.00 1.54 C ATOM 1203 NZ LYS A 136 10.486 9.788 6.639 1.00 1.86 N ATOM 0 H LYS A 136 8.131 7.324 1.386 1.00 0.40 H new ATOM 0 HA LYS A 136 6.979 8.977 2.325 1.00 0.50 H new ATOM 0 HB2 LYS A 136 8.280 9.693 4.500 1.00 0.60 H new ATOM 0 HB3 LYS A 136 7.662 8.069 4.276 1.00 0.60 H new ATOM 0 HG2 LYS A 136 9.987 7.467 3.368 1.00 0.59 H new ATOM 0 HG3 LYS A 136 10.516 9.020 3.983 1.00 0.59 H new ATOM 0 HD2 LYS A 136 9.263 6.760 5.591 1.00 1.23 H new ATOM 0 HD3 LYS A 136 10.932 7.290 5.660 1.00 1.23 H new ATOM 0 HE2 LYS A 136 8.536 9.006 6.408 1.00 1.54 H new ATOM 0 HE3 LYS A 136 9.537 8.136 7.554 1.00 1.54 H new ATOM 0 HZ1 LYS A 136 10.202 10.433 7.404 1.00 1.86 H new ATOM 0 HZ2 LYS A 136 11.450 9.441 6.819 1.00 1.86 H new ATOM 0 HZ3 LYS A 136 10.465 10.296 5.732 1.00 1.86 H new