USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 916 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: B 206 ASN : amide:sc= -0.806 K(o=-0.83,f=-0.21) USER MOD Set 1.2: B 207 SER OG : rot 180:sc= -0.0281 USER MOD Set 2.1: A 55 THR OG1 : rot -60:sc= 0.365 USER MOD Set 2.2: A 95 LYS NZ :NH3+ -162:sc= 1.69 (180deg=0.676) USER MOD Set 3.1: A 69 LYS NZ :NH3+ 158:sc= 0.878 (180deg=-1.4!) USER MOD Set 3.2: A 76 THR OG1 : rot -170:sc= 1.13 USER MOD Set 4.1: A 39 ASN : amide:sc= -0.0494 K(o=-0.049,f=-5.4!) USER MOD Set 4.2: A 40 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 26 ASN : amide:sc= -0.809 K(o=-0.67,f=-5.2!) USER MOD Set 5.2: B 208 HIS : no HE2:sc= 0.141 K(o=-0.67,f=-3.3!) USER MOD Set 6.1: A 24 HIS : no HD1:sc= -0.862 K(o=-0.86,f=-3.6!) USER MOD Set 6.2: A 25 SER OG : rot 180:sc= 0 USER MOD Set 7.1: A 4 THR OG1 : rot 180:sc= 0.558 USER MOD Set 7.2: A 84 GLN : amide:sc= 1.58 K(o=3.3,f=-4.8!) USER MOD Set 7.3: A 87 CYS SG : rot 46:sc= 1.13 USER MOD Set 8.1: A 3 LYS NZ :NH3+ 158:sc= 1.14 (180deg=0.268) USER MOD Set 8.2: A 9 GLN : amide:sc= 0.34 K(o=1.5,f=-8.1!) USER MOD Single : A 1 MET CE :methyl -167:sc=-0.00359 (180deg=-0.183) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 157:sc= -0.189 (180deg=-0.965) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0366 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -124:sc= 0.0183 USER MOD Single : A 19 SER OG : rot 141:sc= 0.772 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 80:sc= -0.0157 USER MOD Single : A 36 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.86) USER MOD Single : A 37 GLN : amide:sc= -0.516! K(o=-0.52!,f=-2.6) USER MOD Single : A 45 GLN : amide:sc= 0.0975 K(o=0.098,f=-4.5!) USER MOD Single : A 49 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.18) USER MOD Single : A 62 GLN : amide:sc= -4.46! C(o=-4.5!,f=-5.4!) USER MOD Single : A 63 LYS NZ :NH3+ 137:sc= -0.192 (180deg=-1.06) USER MOD Single : A 67 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.19) USER MOD Single : A 70 SER OG : rot 103:sc= 1.24 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -74:sc= 0.0245 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -3.62! C(o=-3.6!,f=-5.3!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -160:sc= -0.205 USER MOD Single : A 97 ASN : amide:sc= -0.553 K(o=-0.55,f=0) USER MOD Single : B 192 TYR OH : rot 180:sc= 0 USER MOD Single : B 196 ASN : amide:sc= -0.857 K(o=-0.86,f=-0.0045) USER MOD Single : B 199 LYS NZ :NH3+ -158:sc= -0.16 (180deg=-0.662) USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 204 MET CE :methyl 146:sc= -0.0881 (180deg=-1.34) USER MOD Single : B 205 THR OG1 : rot 105:sc= 0.0303 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.952 -12.993 -11.318 1.00 1.79 N ATOM 2 CA MET A 1 -4.146 -12.583 -9.909 1.00 1.50 C ATOM 3 C MET A 1 -5.596 -12.789 -9.484 1.00 1.45 C ATOM 4 O MET A 1 -5.874 -13.612 -8.614 1.00 2.06 O ATOM 5 CB MET A 1 -3.746 -11.117 -9.713 1.00 1.78 C ATOM 6 CG MET A 1 -3.815 -10.659 -8.264 1.00 2.07 C ATOM 7 SD MET A 1 -3.238 -8.964 -8.039 1.00 2.89 S ATOM 8 CE MET A 1 -1.472 -9.172 -8.256 1.00 2.97 C ATOM 0 H1 MET A 1 -2.959 -12.845 -11.589 1.00 1.79 H new ATOM 0 H2 MET A 1 -4.194 -13.999 -11.423 1.00 1.79 H new ATOM 0 H3 MET A 1 -4.567 -12.423 -11.933 1.00 1.79 H new ATOM 0 HA MET A 1 -3.506 -13.207 -9.285 1.00 1.50 H new ATOM 0 HB2 MET A 1 -2.731 -10.973 -10.084 1.00 1.78 H new ATOM 0 HB3 MET A 1 -4.399 -10.486 -10.317 1.00 1.78 H new ATOM 0 HG2 MET A 1 -4.843 -10.738 -7.911 1.00 2.07 H new ATOM 0 HG3 MET A 1 -3.214 -11.327 -7.647 1.00 2.07 H new ATOM 0 HE1 MET A 1 -0.956 -8.272 -7.922 1.00 2.97 H new ATOM 0 HE2 MET A 1 -1.131 -10.024 -7.668 1.00 2.97 H new ATOM 0 HE3 MET A 1 -1.253 -9.347 -9.309 1.00 2.97 H new ATOM 20 N ALA A 2 -6.513 -12.041 -10.108 1.00 1.41 N ATOM 21 CA ALA A 2 -7.942 -12.130 -9.803 1.00 1.47 C ATOM 22 C ALA A 2 -8.204 -11.888 -8.324 1.00 1.31 C ATOM 23 O ALA A 2 -8.595 -12.798 -7.590 1.00 1.40 O ATOM 24 CB ALA A 2 -8.512 -13.474 -10.237 1.00 1.83 C ATOM 0 H ALA A 2 -6.286 -11.362 -10.834 1.00 1.41 H new ATOM 0 HA ALA A 2 -8.449 -11.348 -10.368 1.00 1.47 H new ATOM 0 HB1 ALA A 2 -9.575 -13.513 -9.998 1.00 1.83 H new ATOM 0 HB2 ALA A 2 -8.377 -13.597 -11.312 1.00 1.83 H new ATOM 0 HB3 ALA A 2 -7.993 -14.276 -9.712 1.00 1.83 H new ATOM 30 N LYS A 3 -7.982 -10.656 -7.890 1.00 1.21 N ATOM 31 CA LYS A 3 -8.191 -10.284 -6.497 1.00 1.10 C ATOM 32 C LYS A 3 -9.536 -9.573 -6.341 1.00 1.05 C ATOM 33 O LYS A 3 -9.653 -8.557 -5.654 1.00 1.21 O ATOM 34 CB LYS A 3 -7.042 -9.389 -6.014 1.00 1.11 C ATOM 35 CG LYS A 3 -6.974 -9.242 -4.503 1.00 1.22 C ATOM 36 CD LYS A 3 -6.055 -8.103 -4.092 1.00 1.18 C ATOM 37 CE LYS A 3 -6.377 -7.600 -2.692 1.00 1.23 C ATOM 38 NZ LYS A 3 -5.781 -8.451 -1.628 1.00 1.47 N ATOM 0 H LYS A 3 -7.656 -9.894 -8.484 1.00 1.21 H new ATOM 0 HA LYS A 3 -8.206 -11.185 -5.884 1.00 1.10 H new ATOM 0 HB2 LYS A 3 -6.098 -9.800 -6.373 1.00 1.11 H new ATOM 0 HB3 LYS A 3 -7.150 -8.401 -6.462 1.00 1.11 H new ATOM 0 HG2 LYS A 3 -7.974 -9.063 -4.109 1.00 1.22 H new ATOM 0 HG3 LYS A 3 -6.619 -10.174 -4.062 1.00 1.22 H new ATOM 0 HD2 LYS A 3 -5.019 -8.439 -4.129 1.00 1.18 H new ATOM 0 HD3 LYS A 3 -6.150 -7.283 -4.804 1.00 1.18 H new ATOM 0 HE2 LYS A 3 -6.011 -6.579 -2.583 1.00 1.23 H new ATOM 0 HE3 LYS A 3 -7.459 -7.566 -2.562 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 -5.698 -7.901 -0.749 1.00 1.47 H new ATOM 0 HZ2 LYS A 3 -6.390 -9.278 -1.463 1.00 1.47 H new ATOM 0 HZ3 LYS A 3 -4.837 -8.770 -1.927 1.00 1.47 H new ATOM 52 N THR A 4 -10.549 -10.117 -6.998 1.00 1.06 N ATOM 53 CA THR A 4 -11.885 -9.550 -6.947 1.00 1.06 C ATOM 54 C THR A 4 -12.845 -10.488 -6.226 1.00 1.13 C ATOM 55 O THR A 4 -13.444 -10.132 -5.208 1.00 1.27 O ATOM 56 CB THR A 4 -12.427 -9.285 -8.364 1.00 1.12 C ATOM 57 OG1 THR A 4 -11.345 -9.027 -9.267 1.00 1.22 O ATOM 58 CG2 THR A 4 -13.378 -8.102 -8.365 1.00 1.23 C ATOM 0 H THR A 4 -10.469 -10.954 -7.575 1.00 1.06 H new ATOM 0 HA THR A 4 -11.815 -8.608 -6.403 1.00 1.06 H new ATOM 0 HB THR A 4 -12.969 -10.173 -8.690 1.00 1.12 H new ATOM 0 HG1 THR A 4 -11.701 -8.861 -10.165 1.00 1.22 H new ATOM 0 HG21 THR A 4 -13.748 -7.934 -9.376 1.00 1.23 H new ATOM 0 HG22 THR A 4 -14.217 -8.309 -7.701 1.00 1.23 H new ATOM 0 HG23 THR A 4 -12.852 -7.212 -8.018 1.00 1.23 H new ATOM 66 N GLU A 5 -12.965 -11.698 -6.751 1.00 1.20 N ATOM 67 CA GLU A 5 -13.864 -12.695 -6.190 1.00 1.33 C ATOM 68 C GLU A 5 -13.205 -13.473 -5.055 1.00 1.31 C ATOM 69 O GLU A 5 -12.951 -14.672 -5.173 1.00 1.58 O ATOM 70 CB GLU A 5 -14.324 -13.654 -7.287 1.00 1.56 C ATOM 71 CG GLU A 5 -15.088 -12.974 -8.411 1.00 1.73 C ATOM 72 CD GLU A 5 -16.454 -12.493 -7.970 1.00 1.94 C ATOM 73 OE1 GLU A 5 -17.407 -13.300 -7.990 1.00 2.37 O ATOM 74 OE2 GLU A 5 -16.585 -11.309 -7.601 1.00 2.15 O ATOM 0 H GLU A 5 -12.447 -12.015 -7.571 1.00 1.20 H new ATOM 0 HA GLU A 5 -14.727 -12.174 -5.776 1.00 1.33 H new ATOM 0 HB2 GLU A 5 -13.453 -14.159 -7.705 1.00 1.56 H new ATOM 0 HB3 GLU A 5 -14.956 -14.423 -6.843 1.00 1.56 H new ATOM 0 HG2 GLU A 5 -14.509 -12.127 -8.780 1.00 1.73 H new ATOM 0 HG3 GLU A 5 -15.201 -13.669 -9.243 1.00 1.73 H new ATOM 81 N GLU A 6 -12.910 -12.777 -3.968 1.00 1.20 N ATOM 82 CA GLU A 6 -12.299 -13.396 -2.797 1.00 1.19 C ATOM 83 C GLU A 6 -13.043 -12.960 -1.535 1.00 1.14 C ATOM 84 O GLU A 6 -13.841 -13.717 -0.982 1.00 1.26 O ATOM 85 CB GLU A 6 -10.812 -13.023 -2.687 1.00 1.16 C ATOM 86 CG GLU A 6 -9.965 -13.448 -3.880 1.00 1.41 C ATOM 87 CD GLU A 6 -8.493 -13.138 -3.687 1.00 1.47 C ATOM 88 OE1 GLU A 6 -8.147 -11.955 -3.496 1.00 1.83 O ATOM 89 OE2 GLU A 6 -7.669 -14.079 -3.721 1.00 1.64 O ATOM 0 H GLU A 6 -13.084 -11.777 -3.870 1.00 1.20 H new ATOM 0 HA GLU A 6 -12.369 -14.478 -2.904 1.00 1.19 H new ATOM 0 HB2 GLU A 6 -10.729 -11.943 -2.565 1.00 1.16 H new ATOM 0 HB3 GLU A 6 -10.402 -13.478 -1.785 1.00 1.16 H new ATOM 0 HG2 GLU A 6 -10.089 -14.518 -4.047 1.00 1.41 H new ATOM 0 HG3 GLU A 6 -10.325 -12.942 -4.776 1.00 1.41 H new ATOM 96 N MET A 7 -12.780 -11.726 -1.106 1.00 1.05 N ATOM 97 CA MET A 7 -13.407 -11.140 0.086 1.00 1.09 C ATOM 98 C MET A 7 -13.239 -12.031 1.317 1.00 1.12 C ATOM 99 O MET A 7 -14.161 -12.190 2.117 1.00 1.32 O ATOM 100 CB MET A 7 -14.891 -10.846 -0.173 1.00 1.22 C ATOM 101 CG MET A 7 -15.120 -9.626 -1.052 1.00 1.44 C ATOM 102 SD MET A 7 -16.857 -9.147 -1.158 1.00 1.75 S ATOM 103 CE MET A 7 -17.206 -8.757 0.559 1.00 2.16 C ATOM 0 H MET A 7 -12.125 -11.100 -1.574 1.00 1.05 H new ATOM 0 HA MET A 7 -12.896 -10.200 0.294 1.00 1.09 H new ATOM 0 HB2 MET A 7 -15.349 -11.715 -0.644 1.00 1.22 H new ATOM 0 HB3 MET A 7 -15.396 -10.697 0.781 1.00 1.22 H new ATOM 0 HG2 MET A 7 -14.542 -8.789 -0.660 1.00 1.44 H new ATOM 0 HG3 MET A 7 -14.744 -9.832 -2.054 1.00 1.44 H new ATOM 0 HE1 MET A 7 -18.059 -8.081 0.612 1.00 2.16 H new ATOM 0 HE2 MET A 7 -17.435 -9.674 1.101 1.00 2.16 H new ATOM 0 HE3 MET A 7 -16.335 -8.279 1.008 1.00 2.16 H new ATOM 113 N VAL A 8 -12.048 -12.599 1.467 1.00 1.13 N ATOM 114 CA VAL A 8 -11.741 -13.471 2.596 1.00 1.22 C ATOM 115 C VAL A 8 -10.348 -13.178 3.150 1.00 1.14 C ATOM 116 O VAL A 8 -9.642 -14.076 3.602 1.00 1.34 O ATOM 117 CB VAL A 8 -11.829 -14.964 2.208 1.00 1.45 C ATOM 118 CG1 VAL A 8 -13.276 -15.433 2.216 1.00 1.70 C ATOM 119 CG2 VAL A 8 -11.190 -15.210 0.849 1.00 1.49 C ATOM 0 H VAL A 8 -11.273 -12.470 0.816 1.00 1.13 H new ATOM 0 HA VAL A 8 -12.488 -13.266 3.363 1.00 1.22 H new ATOM 0 HB VAL A 8 -11.277 -15.542 2.949 1.00 1.45 H new ATOM 0 HG11 VAL A 8 -13.318 -16.487 1.940 1.00 1.70 H new ATOM 0 HG12 VAL A 8 -13.696 -15.302 3.213 1.00 1.70 H new ATOM 0 HG13 VAL A 8 -13.852 -14.847 1.500 1.00 1.70 H new ATOM 0 HG21 VAL A 8 -11.264 -16.268 0.598 1.00 1.49 H new ATOM 0 HG22 VAL A 8 -11.707 -14.620 0.092 1.00 1.49 H new ATOM 0 HG23 VAL A 8 -10.140 -14.918 0.882 1.00 1.49 H new ATOM 129 N GLN A 9 -9.972 -11.909 3.128 1.00 0.97 N ATOM 130 CA GLN A 9 -8.664 -11.480 3.615 1.00 0.93 C ATOM 131 C GLN A 9 -8.763 -10.972 5.057 1.00 0.91 C ATOM 132 O GLN A 9 -9.580 -11.465 5.838 1.00 0.98 O ATOM 133 CB GLN A 9 -8.109 -10.392 2.690 1.00 0.89 C ATOM 134 CG GLN A 9 -8.292 -10.712 1.214 1.00 1.00 C ATOM 135 CD GLN A 9 -7.052 -11.304 0.571 1.00 1.20 C ATOM 136 OE1 GLN A 9 -6.266 -10.593 -0.050 1.00 1.49 O ATOM 137 NE2 GLN A 9 -6.868 -12.607 0.711 1.00 1.43 N ATOM 0 H GLN A 9 -10.557 -11.151 2.776 1.00 0.97 H new ATOM 0 HA GLN A 9 -7.983 -12.331 3.611 1.00 0.93 H new ATOM 0 HB2 GLN A 9 -8.603 -9.446 2.914 1.00 0.89 H new ATOM 0 HB3 GLN A 9 -7.048 -10.255 2.897 1.00 0.89 H new ATOM 0 HG2 GLN A 9 -9.121 -11.411 1.101 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -8.569 -9.801 0.683 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -7.543 -13.164 1.234 1.00 1.43 H new ATOM 0 HE22 GLN A 9 -6.051 -13.054 0.296 1.00 1.43 H new ATOM 146 N THR A 10 -7.929 -9.997 5.404 1.00 0.91 N ATOM 147 CA THR A 10 -7.917 -9.418 6.743 1.00 0.91 C ATOM 148 C THR A 10 -9.250 -8.742 7.071 1.00 0.88 C ATOM 149 O THR A 10 -9.730 -7.890 6.321 1.00 0.82 O ATOM 150 CB THR A 10 -6.771 -8.401 6.869 1.00 0.89 C ATOM 151 OG1 THR A 10 -5.640 -8.862 6.113 1.00 0.98 O ATOM 152 CG2 THR A 10 -6.368 -8.207 8.322 1.00 0.96 C ATOM 0 H THR A 10 -7.245 -9.587 4.768 1.00 0.91 H new ATOM 0 HA THR A 10 -7.763 -10.228 7.456 1.00 0.91 H new ATOM 0 HB THR A 10 -7.115 -7.443 6.480 1.00 0.89 H new ATOM 0 HG1 THR A 10 -4.909 -8.214 6.191 1.00 0.98 H new ATOM 0 HG21 THR A 10 -5.556 -7.483 8.381 1.00 0.96 H new ATOM 0 HG22 THR A 10 -7.223 -7.841 8.891 1.00 0.96 H new ATOM 0 HG23 THR A 10 -6.036 -9.158 8.738 1.00 0.96 H new ATOM 160 N GLU A 11 -9.842 -9.133 8.193 1.00 0.99 N ATOM 161 CA GLU A 11 -11.127 -8.590 8.622 1.00 1.04 C ATOM 162 C GLU A 11 -10.967 -7.692 9.848 1.00 1.02 C ATOM 163 O GLU A 11 -10.063 -7.894 10.660 1.00 1.03 O ATOM 164 CB GLU A 11 -12.085 -9.740 8.945 1.00 1.19 C ATOM 165 CG GLU A 11 -13.534 -9.312 9.100 1.00 1.29 C ATOM 166 CD GLU A 11 -14.376 -10.357 9.798 1.00 1.51 C ATOM 167 OE1 GLU A 11 -14.560 -11.456 9.236 1.00 1.58 O ATOM 168 OE2 GLU A 11 -14.855 -10.088 10.918 1.00 1.89 O ATOM 0 H GLU A 11 -9.450 -9.829 8.827 1.00 0.99 H new ATOM 0 HA GLU A 11 -11.533 -7.986 7.810 1.00 1.04 H new ATOM 0 HB2 GLU A 11 -12.020 -10.487 8.153 1.00 1.19 H new ATOM 0 HB3 GLU A 11 -11.759 -10.223 9.866 1.00 1.19 H new ATOM 0 HG2 GLU A 11 -13.576 -8.380 9.664 1.00 1.29 H new ATOM 0 HG3 GLU A 11 -13.956 -9.108 8.116 1.00 1.29 H new ATOM 175 N GLU A 12 -11.853 -6.711 9.978 1.00 1.07 N ATOM 176 CA GLU A 12 -11.826 -5.788 11.105 1.00 1.10 C ATOM 177 C GLU A 12 -13.253 -5.524 11.590 1.00 1.22 C ATOM 178 O GLU A 12 -14.048 -6.452 11.714 1.00 1.54 O ATOM 179 CB GLU A 12 -11.141 -4.478 10.702 1.00 1.07 C ATOM 180 CG GLU A 12 -10.520 -3.720 11.868 1.00 1.18 C ATOM 181 CD GLU A 12 -9.527 -4.555 12.650 1.00 1.74 C ATOM 182 OE1 GLU A 12 -8.448 -4.868 12.112 1.00 2.23 O ATOM 183 OE2 GLU A 12 -9.818 -4.895 13.812 1.00 2.22 O ATOM 0 H GLU A 12 -12.604 -6.534 9.311 1.00 1.07 H new ATOM 0 HA GLU A 12 -11.255 -6.234 11.920 1.00 1.10 H new ATOM 0 HB2 GLU A 12 -10.364 -4.696 9.969 1.00 1.07 H new ATOM 0 HB3 GLU A 12 -11.871 -3.834 10.211 1.00 1.07 H new ATOM 0 HG2 GLU A 12 -10.020 -2.828 11.490 1.00 1.18 H new ATOM 0 HG3 GLU A 12 -11.311 -3.382 12.538 1.00 1.18 H new ATOM 190 N MET A 13 -13.576 -4.262 11.855 1.00 1.20 N ATOM 191 CA MET A 13 -14.909 -3.894 12.322 1.00 1.31 C ATOM 192 C MET A 13 -15.919 -3.981 11.185 1.00 1.28 C ATOM 193 O MET A 13 -16.694 -4.933 11.105 1.00 1.46 O ATOM 194 CB MET A 13 -14.901 -2.484 12.919 1.00 1.40 C ATOM 195 CG MET A 13 -14.277 -2.418 14.304 1.00 1.63 C ATOM 196 SD MET A 13 -14.203 -0.741 14.961 1.00 1.83 S ATOM 197 CE MET A 13 -13.669 -1.082 16.638 1.00 2.25 C ATOM 0 H MET A 13 -12.933 -3.477 11.754 1.00 1.20 H new ATOM 0 HA MET A 13 -15.203 -4.598 13.101 1.00 1.31 H new ATOM 0 HB2 MET A 13 -14.356 -1.818 12.251 1.00 1.40 H new ATOM 0 HB3 MET A 13 -15.925 -2.114 12.972 1.00 1.40 H new ATOM 0 HG2 MET A 13 -14.851 -3.045 14.986 1.00 1.63 H new ATOM 0 HG3 MET A 13 -13.269 -2.832 14.263 1.00 1.63 H new ATOM 0 HE1 MET A 13 -13.573 -0.145 17.187 1.00 2.25 H new ATOM 0 HE2 MET A 13 -14.404 -1.718 17.132 1.00 2.25 H new ATOM 0 HE3 MET A 13 -12.705 -1.591 16.617 1.00 2.25 H new ATOM 207 N GLU A 14 -15.904 -2.992 10.302 1.00 1.19 N ATOM 208 CA GLU A 14 -16.820 -2.981 9.170 1.00 1.18 C ATOM 209 C GLU A 14 -16.201 -3.711 7.986 1.00 1.09 C ATOM 210 O GLU A 14 -16.898 -4.389 7.232 1.00 1.18 O ATOM 211 CB GLU A 14 -17.179 -1.547 8.769 1.00 1.19 C ATOM 212 CG GLU A 14 -17.937 -1.469 7.453 1.00 1.29 C ATOM 213 CD GLU A 14 -18.402 -0.070 7.114 1.00 1.54 C ATOM 214 OE1 GLU A 14 -17.874 0.898 7.699 1.00 2.13 O ATOM 215 OE2 GLU A 14 -19.298 0.063 6.255 1.00 2.02 O ATOM 0 H GLU A 14 -15.272 -2.192 10.347 1.00 1.19 H new ATOM 0 HA GLU A 14 -17.734 -3.494 9.469 1.00 1.18 H new ATOM 0 HB2 GLU A 14 -17.783 -1.096 9.557 1.00 1.19 H new ATOM 0 HB3 GLU A 14 -16.265 -0.958 8.691 1.00 1.19 H new ATOM 0 HG2 GLU A 14 -17.297 -1.836 6.651 1.00 1.29 H new ATOM 0 HG3 GLU A 14 -18.802 -2.131 7.500 1.00 1.29 H new ATOM 222 N THR A 15 -14.888 -3.564 7.843 1.00 0.98 N ATOM 223 CA THR A 15 -14.138 -4.186 6.764 1.00 0.90 C ATOM 224 C THR A 15 -14.412 -5.688 6.693 1.00 0.94 C ATOM 225 O THR A 15 -13.973 -6.445 7.560 1.00 0.98 O ATOM 226 CB THR A 15 -12.634 -3.946 6.964 1.00 0.84 C ATOM 227 OG1 THR A 15 -12.433 -2.689 7.631 1.00 0.83 O ATOM 228 CG2 THR A 15 -11.904 -3.942 5.632 1.00 0.91 C ATOM 0 H THR A 15 -14.314 -3.007 8.476 1.00 0.98 H new ATOM 0 HA THR A 15 -14.460 -3.733 5.826 1.00 0.90 H new ATOM 0 HB THR A 15 -12.232 -4.755 7.573 1.00 0.84 H new ATOM 0 HG1 THR A 15 -11.840 -2.124 7.093 1.00 0.83 H new ATOM 0 HG21 THR A 15 -10.841 -3.770 5.800 1.00 0.91 H new ATOM 0 HG22 THR A 15 -12.042 -4.904 5.138 1.00 0.91 H new ATOM 0 HG23 THR A 15 -12.304 -3.149 5.000 1.00 0.91 H new ATOM 236 N PRO A 16 -15.132 -6.136 5.648 1.00 0.97 N ATOM 237 CA PRO A 16 -15.484 -7.535 5.478 1.00 1.04 C ATOM 238 C PRO A 16 -14.390 -8.338 4.787 1.00 0.96 C ATOM 239 O PRO A 16 -14.513 -8.696 3.615 1.00 0.96 O ATOM 240 CB PRO A 16 -16.749 -7.484 4.617 1.00 1.12 C ATOM 241 CG PRO A 16 -16.755 -6.142 3.950 1.00 1.07 C ATOM 242 CD PRO A 16 -15.641 -5.313 4.543 1.00 0.98 C ATOM 0 HA PRO A 16 -15.627 -8.035 6.436 1.00 1.04 H new ATOM 0 HB2 PRO A 16 -16.748 -8.285 3.878 1.00 1.12 H new ATOM 0 HB3 PRO A 16 -17.641 -7.617 5.229 1.00 1.12 H new ATOM 0 HG2 PRO A 16 -16.615 -6.252 2.875 1.00 1.07 H new ATOM 0 HG3 PRO A 16 -17.716 -5.649 4.098 1.00 1.07 H new ATOM 0 HD2 PRO A 16 -14.863 -5.107 3.808 1.00 0.98 H new ATOM 0 HD3 PRO A 16 -16.007 -4.350 4.899 1.00 0.98 H new ATOM 250 N ARG A 17 -13.313 -8.598 5.525 1.00 0.95 N ATOM 251 CA ARG A 17 -12.182 -9.371 5.015 1.00 0.92 C ATOM 252 C ARG A 17 -11.589 -8.710 3.770 1.00 0.82 C ATOM 253 O ARG A 17 -11.383 -9.356 2.739 1.00 0.83 O ATOM 254 CB ARG A 17 -12.619 -10.806 4.711 1.00 1.01 C ATOM 255 CG ARG A 17 -13.395 -11.456 5.844 1.00 1.13 C ATOM 256 CD ARG A 17 -12.728 -12.731 6.327 1.00 1.19 C ATOM 257 NE ARG A 17 -13.323 -13.216 7.569 1.00 1.38 N ATOM 258 CZ ARG A 17 -13.293 -14.485 7.970 1.00 1.67 C ATOM 259 NH1 ARG A 17 -12.698 -15.412 7.230 1.00 1.84 N ATOM 260 NH2 ARG A 17 -13.858 -14.825 9.120 1.00 1.94 N ATOM 0 H ARG A 17 -13.199 -8.281 6.488 1.00 0.95 H new ATOM 0 HA ARG A 17 -11.407 -9.398 5.781 1.00 0.92 H new ATOM 0 HB2 ARG A 17 -13.235 -10.807 3.812 1.00 1.01 H new ATOM 0 HB3 ARG A 17 -11.737 -11.408 4.493 1.00 1.01 H new ATOM 0 HG2 ARG A 17 -13.482 -10.755 6.674 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -14.408 -11.680 5.509 1.00 1.13 H new ATOM 0 HD2 ARG A 17 -12.813 -13.499 5.559 1.00 1.19 H new ATOM 0 HD3 ARG A 17 -11.664 -12.549 6.480 1.00 1.19 H new ATOM 0 HE ARG A 17 -13.793 -12.538 8.169 1.00 1.38 H new ATOM 0 HH11 ARG A 17 -12.259 -15.155 6.346 1.00 1.84 H new ATOM 0 HH12 ARG A 17 -12.680 -16.382 7.545 1.00 1.84 H new ATOM 0 HH21 ARG A 17 -14.313 -14.115 9.694 1.00 1.94 H new ATOM 0 HH22 ARG A 17 -13.837 -15.796 9.431 1.00 1.94 H new ATOM 274 N LEU A 18 -11.301 -7.420 3.890 1.00 0.75 N ATOM 275 CA LEU A 18 -10.755 -6.641 2.788 1.00 0.67 C ATOM 276 C LEU A 18 -9.361 -6.109 3.126 1.00 0.63 C ATOM 277 O LEU A 18 -9.198 -5.317 4.055 1.00 0.66 O ATOM 278 CB LEU A 18 -11.692 -5.466 2.475 1.00 0.65 C ATOM 279 CG LEU A 18 -12.484 -5.574 1.172 1.00 0.64 C ATOM 280 CD1 LEU A 18 -13.459 -6.738 1.224 1.00 0.78 C ATOM 281 CD2 LEU A 18 -13.221 -4.275 0.892 1.00 0.66 C ATOM 0 H LEU A 18 -11.439 -6.888 4.749 1.00 0.75 H new ATOM 0 HA LEU A 18 -10.671 -7.291 1.917 1.00 0.67 H new ATOM 0 HB2 LEU A 18 -12.398 -5.359 3.299 1.00 0.65 H new ATOM 0 HB3 LEU A 18 -11.099 -4.552 2.443 1.00 0.65 H new ATOM 0 HG LEU A 18 -11.780 -5.758 0.360 1.00 0.64 H new ATOM 0 HD11 LEU A 18 -14.010 -6.793 0.285 1.00 0.78 H new ATOM 0 HD12 LEU A 18 -12.909 -7.667 1.377 1.00 0.78 H new ATOM 0 HD13 LEU A 18 -14.158 -6.590 2.047 1.00 0.78 H new ATOM 0 HD21 LEU A 18 -13.780 -4.367 -0.039 1.00 0.66 H new ATOM 0 HD22 LEU A 18 -13.910 -4.064 1.710 1.00 0.66 H new ATOM 0 HD23 LEU A 18 -12.502 -3.460 0.804 1.00 0.66 H new ATOM 293 N SER A 19 -8.360 -6.552 2.377 1.00 0.63 N ATOM 294 CA SER A 19 -6.996 -6.095 2.589 1.00 0.64 C ATOM 295 C SER A 19 -6.356 -5.771 1.242 1.00 0.61 C ATOM 296 O SER A 19 -6.564 -6.481 0.254 1.00 0.70 O ATOM 297 CB SER A 19 -6.186 -7.131 3.375 1.00 0.77 C ATOM 298 OG SER A 19 -5.580 -8.092 2.529 1.00 1.44 O ATOM 0 H SER A 19 -8.468 -7.226 1.619 1.00 0.63 H new ATOM 0 HA SER A 19 -7.008 -5.186 3.191 1.00 0.64 H new ATOM 0 HB2 SER A 19 -5.415 -6.623 3.955 1.00 0.77 H new ATOM 0 HB3 SER A 19 -6.839 -7.636 4.086 1.00 0.77 H new ATOM 0 HG SER A 19 -4.682 -8.301 2.862 1.00 1.44 H new ATOM 304 N VAL A 20 -5.593 -4.696 1.208 1.00 0.55 N ATOM 305 CA VAL A 20 -4.969 -4.239 -0.021 1.00 0.56 C ATOM 306 C VAL A 20 -3.530 -4.728 -0.173 1.00 0.67 C ATOM 307 O VAL A 20 -2.848 -5.047 0.806 1.00 0.73 O ATOM 308 CB VAL A 20 -4.989 -2.697 -0.085 1.00 0.49 C ATOM 309 CG1 VAL A 20 -3.964 -2.107 0.869 1.00 0.55 C ATOM 310 CG2 VAL A 20 -4.754 -2.202 -1.504 1.00 0.53 C ATOM 0 H VAL A 20 -5.389 -4.118 2.023 1.00 0.55 H new ATOM 0 HA VAL A 20 -5.549 -4.662 -0.841 1.00 0.56 H new ATOM 0 HB VAL A 20 -5.979 -2.362 0.225 1.00 0.49 H new ATOM 0 HG11 VAL A 20 -3.994 -1.019 0.808 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -4.193 -2.420 1.888 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -2.969 -2.458 0.596 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -4.774 -1.112 -1.517 1.00 0.53 H new ATOM 0 HG22 VAL A 20 -3.783 -2.552 -1.855 1.00 0.53 H new ATOM 0 HG23 VAL A 20 -5.537 -2.587 -2.158 1.00 0.53 H new ATOM 320 N ILE A 21 -3.087 -4.789 -1.421 1.00 0.73 N ATOM 321 CA ILE A 21 -1.733 -5.190 -1.750 1.00 0.86 C ATOM 322 C ILE A 21 -0.884 -3.946 -2.003 1.00 0.87 C ATOM 323 O ILE A 21 -0.918 -3.371 -3.095 1.00 0.88 O ATOM 324 CB ILE A 21 -1.699 -6.108 -2.999 1.00 0.96 C ATOM 325 CG1 ILE A 21 -2.405 -7.433 -2.700 1.00 0.98 C ATOM 326 CG2 ILE A 21 -0.267 -6.359 -3.465 1.00 1.11 C ATOM 327 CD1 ILE A 21 -2.427 -8.388 -3.874 1.00 1.10 C ATOM 0 H ILE A 21 -3.660 -4.561 -2.233 1.00 0.73 H new ATOM 0 HA ILE A 21 -1.331 -5.754 -0.909 1.00 0.86 H new ATOM 0 HB ILE A 21 -2.227 -5.600 -3.806 1.00 0.96 H new ATOM 0 HG12 ILE A 21 -1.909 -7.917 -1.858 1.00 0.98 H new ATOM 0 HG13 ILE A 21 -3.430 -7.227 -2.391 1.00 0.98 H new ATOM 0 HG21 ILE A 21 -0.278 -7.006 -4.342 1.00 1.11 H new ATOM 0 HG22 ILE A 21 0.204 -5.410 -3.720 1.00 1.11 H new ATOM 0 HG23 ILE A 21 0.297 -6.841 -2.666 1.00 1.11 H new ATOM 0 HD11 ILE A 21 -2.943 -9.304 -3.588 1.00 1.10 H new ATOM 0 HD12 ILE A 21 -2.949 -7.924 -4.711 1.00 1.10 H new ATOM 0 HD13 ILE A 21 -1.405 -8.624 -4.170 1.00 1.10 H new ATOM 339 N VAL A 22 -0.161 -3.510 -0.977 1.00 0.89 N ATOM 340 CA VAL A 22 0.699 -2.338 -1.089 1.00 0.93 C ATOM 341 C VAL A 22 1.997 -2.717 -1.782 1.00 1.07 C ATOM 342 O VAL A 22 2.770 -3.512 -1.256 1.00 1.15 O ATOM 343 CB VAL A 22 1.028 -1.724 0.292 1.00 0.92 C ATOM 344 CG1 VAL A 22 1.779 -0.410 0.130 1.00 0.97 C ATOM 345 CG2 VAL A 22 -0.241 -1.524 1.109 1.00 0.80 C ATOM 0 H VAL A 22 -0.154 -3.951 -0.057 1.00 0.89 H new ATOM 0 HA VAL A 22 0.157 -1.593 -1.672 1.00 0.93 H new ATOM 0 HB VAL A 22 1.672 -2.420 0.831 1.00 0.92 H new ATOM 0 HG11 VAL A 22 2.001 0.006 1.113 1.00 0.97 H new ATOM 0 HG12 VAL A 22 2.710 -0.587 -0.408 1.00 0.97 H new ATOM 0 HG13 VAL A 22 1.164 0.294 -0.431 1.00 0.97 H new ATOM 0 HG21 VAL A 22 0.014 -1.091 2.076 1.00 0.80 H new ATOM 0 HG22 VAL A 22 -0.914 -0.852 0.577 1.00 0.80 H new ATOM 0 HG23 VAL A 22 -0.732 -2.485 1.260 1.00 0.80 H new ATOM 355 N THR A 23 2.226 -2.164 -2.961 1.00 1.12 N ATOM 356 CA THR A 23 3.427 -2.469 -3.719 1.00 1.26 C ATOM 357 C THR A 23 4.296 -1.229 -3.930 1.00 1.32 C ATOM 358 O THR A 23 3.811 -0.170 -4.332 1.00 1.28 O ATOM 359 CB THR A 23 3.063 -3.074 -5.087 1.00 1.33 C ATOM 360 OG1 THR A 23 1.915 -3.925 -4.958 1.00 1.89 O ATOM 361 CG2 THR A 23 4.227 -3.871 -5.658 1.00 1.63 C ATOM 0 H THR A 23 1.596 -1.502 -3.414 1.00 1.12 H new ATOM 0 HA THR A 23 3.997 -3.193 -3.137 1.00 1.26 H new ATOM 0 HB THR A 23 2.835 -2.255 -5.770 1.00 1.33 H new ATOM 0 HG1 THR A 23 1.689 -4.304 -5.833 1.00 1.89 H new ATOM 0 HG21 THR A 23 3.943 -4.288 -6.625 1.00 1.63 H new ATOM 0 HG22 THR A 23 5.089 -3.216 -5.784 1.00 1.63 H new ATOM 0 HG23 THR A 23 4.483 -4.681 -4.975 1.00 1.63 H new ATOM 369 N HIS A 24 5.576 -1.367 -3.631 1.00 1.45 N ATOM 370 CA HIS A 24 6.538 -0.288 -3.809 1.00 1.54 C ATOM 371 C HIS A 24 7.798 -0.849 -4.447 1.00 1.61 C ATOM 372 O HIS A 24 8.659 -1.383 -3.745 1.00 1.63 O ATOM 373 CB HIS A 24 6.867 0.377 -2.465 1.00 1.58 C ATOM 374 CG HIS A 24 7.917 1.451 -2.553 1.00 1.68 C ATOM 375 ND1 HIS A 24 8.910 1.609 -1.609 1.00 1.78 N ATOM 376 CD2 HIS A 24 8.117 2.429 -3.473 1.00 1.75 C ATOM 377 CE1 HIS A 24 9.673 2.636 -1.945 1.00 1.88 C ATOM 378 NE2 HIS A 24 9.213 3.147 -3.069 1.00 1.86 N ATOM 0 H HIS A 24 5.979 -2.227 -3.259 1.00 1.45 H new ATOM 0 HA HIS A 24 6.107 0.473 -4.459 1.00 1.54 H new ATOM 0 HB2 HIS A 24 5.955 0.808 -2.052 1.00 1.58 H new ATOM 0 HB3 HIS A 24 7.203 -0.388 -1.765 1.00 1.58 H new ATOM 0 HD2 HIS A 24 7.524 2.608 -4.358 1.00 1.75 H new ATOM 0 HE1 HIS A 24 10.528 2.995 -1.392 1.00 1.88 H new ATOM 0 HE2 HIS A 24 9.609 3.949 -3.560 1.00 1.86 H new ATOM 387 N SER A 25 7.881 -0.739 -5.775 1.00 1.68 N ATOM 388 CA SER A 25 9.019 -1.249 -6.550 1.00 1.77 C ATOM 389 C SER A 25 9.012 -2.783 -6.547 1.00 1.80 C ATOM 390 O SER A 25 8.864 -3.418 -7.593 1.00 1.90 O ATOM 391 CB SER A 25 10.345 -0.701 -5.997 1.00 1.78 C ATOM 392 OG SER A 25 10.221 0.671 -5.642 1.00 1.90 O ATOM 0 H SER A 25 7.162 -0.294 -6.345 1.00 1.68 H new ATOM 0 HA SER A 25 8.923 -0.906 -7.580 1.00 1.77 H new ATOM 0 HB2 SER A 25 10.646 -1.280 -5.124 1.00 1.78 H new ATOM 0 HB3 SER A 25 11.130 -0.818 -6.744 1.00 1.78 H new ATOM 0 HG SER A 25 11.076 0.997 -5.291 1.00 1.90 H new ATOM 398 N ASN A 26 9.154 -3.357 -5.364 1.00 1.77 N ATOM 399 CA ASN A 26 9.142 -4.803 -5.171 1.00 1.82 C ATOM 400 C ASN A 26 8.651 -5.111 -3.757 1.00 1.75 C ATOM 401 O ASN A 26 8.269 -6.240 -3.440 1.00 1.87 O ATOM 402 CB ASN A 26 10.538 -5.394 -5.391 1.00 1.95 C ATOM 403 CG ASN A 26 10.502 -6.892 -5.626 1.00 2.06 C ATOM 404 OD1 ASN A 26 10.610 -7.683 -4.693 1.00 2.28 O ATOM 405 ND2 ASN A 26 10.354 -7.290 -6.879 1.00 2.32 N ATOM 0 H ASN A 26 9.282 -2.830 -4.500 1.00 1.77 H new ATOM 0 HA ASN A 26 8.470 -5.256 -5.900 1.00 1.82 H new ATOM 0 HB2 ASN A 26 11.005 -4.906 -6.246 1.00 1.95 H new ATOM 0 HB3 ASN A 26 11.161 -5.180 -4.522 1.00 1.95 H new ATOM 0 HD21 ASN A 26 10.326 -8.286 -7.098 1.00 2.32 H new ATOM 0 HD22 ASN A 26 10.268 -6.601 -7.626 1.00 2.32 H new ATOM 412 N GLU A 27 8.657 -4.077 -2.920 1.00 1.66 N ATOM 413 CA GLU A 27 8.217 -4.178 -1.538 1.00 1.60 C ATOM 414 C GLU A 27 6.709 -4.379 -1.487 1.00 1.47 C ATOM 415 O GLU A 27 5.973 -3.743 -2.242 1.00 1.48 O ATOM 416 CB GLU A 27 8.621 -2.904 -0.789 1.00 1.63 C ATOM 417 CG GLU A 27 8.006 -2.761 0.588 1.00 1.89 C ATOM 418 CD GLU A 27 8.477 -1.507 1.288 1.00 1.91 C ATOM 419 OE1 GLU A 27 7.888 -0.430 1.047 1.00 2.24 O ATOM 420 OE2 GLU A 27 9.445 -1.593 2.074 1.00 2.14 O ATOM 0 H GLU A 27 8.969 -3.143 -3.186 1.00 1.66 H new ATOM 0 HA GLU A 27 8.690 -5.036 -1.060 1.00 1.60 H new ATOM 0 HB2 GLU A 27 9.706 -2.884 -0.692 1.00 1.63 H new ATOM 0 HB3 GLU A 27 8.339 -2.040 -1.390 1.00 1.63 H new ATOM 0 HG2 GLU A 27 6.920 -2.742 0.500 1.00 1.89 H new ATOM 0 HG3 GLU A 27 8.261 -3.632 1.192 1.00 1.89 H new ATOM 427 N ARG A 28 6.254 -5.260 -0.610 1.00 1.44 N ATOM 428 CA ARG A 28 4.835 -5.536 -0.493 1.00 1.33 C ATOM 429 C ARG A 28 4.392 -5.558 0.966 1.00 1.28 C ATOM 430 O ARG A 28 5.041 -6.166 1.818 1.00 1.36 O ATOM 431 CB ARG A 28 4.501 -6.869 -1.167 1.00 1.41 C ATOM 432 CG ARG A 28 3.157 -6.878 -1.876 1.00 1.45 C ATOM 433 CD ARG A 28 2.003 -6.942 -0.892 1.00 1.48 C ATOM 434 NE ARG A 28 1.733 -8.307 -0.445 1.00 1.48 N ATOM 435 CZ ARG A 28 0.740 -8.642 0.377 1.00 1.51 C ATOM 436 NH1 ARG A 28 -0.081 -7.713 0.845 1.00 1.47 N ATOM 437 NH2 ARG A 28 0.562 -9.909 0.727 1.00 1.92 N ATOM 0 H ARG A 28 6.845 -5.793 0.028 1.00 1.44 H new ATOM 0 HA ARG A 28 4.293 -4.735 -0.995 1.00 1.33 H new ATOM 0 HB2 ARG A 28 5.283 -7.107 -1.888 1.00 1.41 H new ATOM 0 HB3 ARG A 28 4.510 -7.658 -0.415 1.00 1.41 H new ATOM 0 HG2 ARG A 28 3.063 -5.982 -2.489 1.00 1.45 H new ATOM 0 HG3 ARG A 28 3.107 -7.732 -2.551 1.00 1.45 H new ATOM 0 HD2 ARG A 28 2.229 -6.317 -0.028 1.00 1.48 H new ATOM 0 HD3 ARG A 28 1.108 -6.530 -1.358 1.00 1.48 H new ATOM 0 HE ARG A 28 2.344 -9.050 -0.784 1.00 1.48 H new ATOM 0 HH11 ARG A 28 0.046 -6.737 0.576 1.00 1.47 H new ATOM 0 HH12 ARG A 28 -0.840 -7.974 1.474 1.00 1.47 H new ATOM 0 HH21 ARG A 28 1.187 -10.630 0.366 1.00 1.92 H new ATOM 0 HH22 ARG A 28 -0.199 -10.162 1.357 1.00 1.92 H new ATOM 451 N TYR A 29 3.285 -4.877 1.235 1.00 1.17 N ATOM 452 CA TYR A 29 2.710 -4.809 2.571 1.00 1.13 C ATOM 453 C TYR A 29 1.216 -5.117 2.505 1.00 1.01 C ATOM 454 O TYR A 29 0.588 -4.945 1.455 1.00 1.00 O ATOM 455 CB TYR A 29 2.929 -3.421 3.178 1.00 1.13 C ATOM 456 CG TYR A 29 4.018 -3.376 4.226 1.00 1.30 C ATOM 457 CD1 TYR A 29 5.340 -3.128 3.876 1.00 1.60 C ATOM 458 CD2 TYR A 29 3.722 -3.581 5.568 1.00 1.52 C ATOM 459 CE1 TYR A 29 6.334 -3.083 4.835 1.00 1.88 C ATOM 460 CE2 TYR A 29 4.710 -3.535 6.532 1.00 1.82 C ATOM 461 CZ TYR A 29 6.013 -3.290 6.161 1.00 1.91 C ATOM 462 OH TYR A 29 7.000 -3.246 7.118 1.00 2.29 O ATOM 0 H TYR A 29 2.761 -4.356 0.532 1.00 1.17 H new ATOM 0 HA TYR A 29 3.204 -5.547 3.203 1.00 1.13 H new ATOM 0 HB2 TYR A 29 3.177 -2.721 2.380 1.00 1.13 H new ATOM 0 HB3 TYR A 29 1.995 -3.078 3.624 1.00 1.13 H new ATOM 0 HD1 TYR A 29 5.594 -2.968 2.839 1.00 1.60 H new ATOM 0 HD2 TYR A 29 2.702 -3.780 5.862 1.00 1.52 H new ATOM 0 HE1 TYR A 29 7.357 -2.887 4.548 1.00 1.88 H new ATOM 0 HE2 TYR A 29 4.462 -3.690 7.572 1.00 1.82 H new ATOM 0 HH TYR A 29 6.607 -3.411 8.001 1.00 2.29 H new ATOM 472 N ASP A 30 0.657 -5.586 3.611 1.00 0.98 N ATOM 473 CA ASP A 30 -0.764 -5.909 3.675 1.00 0.90 C ATOM 474 C ASP A 30 -1.464 -4.940 4.612 1.00 0.84 C ATOM 475 O ASP A 30 -1.221 -4.948 5.821 1.00 0.96 O ATOM 476 CB ASP A 30 -0.976 -7.348 4.154 1.00 0.97 C ATOM 477 CG ASP A 30 -2.187 -8.002 3.512 1.00 1.07 C ATOM 478 OD1 ASP A 30 -2.047 -8.537 2.390 1.00 1.28 O ATOM 479 OD2 ASP A 30 -3.273 -8.004 4.121 1.00 1.34 O ATOM 0 H ASP A 30 1.166 -5.752 4.479 1.00 0.98 H new ATOM 0 HA ASP A 30 -1.187 -5.818 2.675 1.00 0.90 H new ATOM 0 HB2 ASP A 30 -0.087 -7.937 3.929 1.00 0.97 H new ATOM 0 HB3 ASP A 30 -1.096 -7.353 5.237 1.00 0.97 H new ATOM 484 N LEU A 31 -2.313 -4.097 4.053 1.00 0.71 N ATOM 485 CA LEU A 31 -3.032 -3.110 4.843 1.00 0.66 C ATOM 486 C LEU A 31 -4.533 -3.336 4.760 1.00 0.58 C ATOM 487 O LEU A 31 -5.047 -3.793 3.739 1.00 0.59 O ATOM 488 CB LEU A 31 -2.686 -1.695 4.365 1.00 0.66 C ATOM 489 CG LEU A 31 -1.965 -0.815 5.392 1.00 0.77 C ATOM 490 CD1 LEU A 31 -2.910 -0.418 6.518 1.00 0.95 C ATOM 491 CD2 LEU A 31 -0.743 -1.535 5.951 1.00 0.98 C ATOM 0 H LEU A 31 -2.523 -4.075 3.055 1.00 0.71 H new ATOM 0 HA LEU A 31 -2.726 -3.219 5.883 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -2.061 -1.772 3.475 1.00 0.66 H new ATOM 0 HB3 LEU A 31 -3.607 -1.195 4.065 1.00 0.66 H new ATOM 0 HG LEU A 31 -1.631 0.092 4.889 1.00 0.77 H new ATOM 0 HD11 LEU A 31 -2.378 0.206 7.236 1.00 0.95 H new ATOM 0 HD12 LEU A 31 -3.752 0.139 6.107 1.00 0.95 H new ATOM 0 HD13 LEU A 31 -3.277 -1.314 7.018 1.00 0.95 H new ATOM 0 HD21 LEU A 31 -0.244 -0.894 6.678 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -1.056 -2.460 6.436 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -0.054 -1.766 5.139 1.00 0.98 H new ATOM 503 N LEU A 32 -5.224 -3.024 5.843 1.00 0.55 N ATOM 504 CA LEU A 32 -6.666 -3.185 5.908 1.00 0.52 C ATOM 505 C LEU A 32 -7.362 -2.027 5.204 1.00 0.43 C ATOM 506 O LEU A 32 -6.894 -0.890 5.259 1.00 0.43 O ATOM 507 CB LEU A 32 -7.119 -3.255 7.364 1.00 0.60 C ATOM 508 CG LEU A 32 -8.607 -3.508 7.565 1.00 0.73 C ATOM 509 CD1 LEU A 32 -8.853 -4.956 7.949 1.00 0.94 C ATOM 510 CD2 LEU A 32 -9.169 -2.563 8.613 1.00 0.85 C ATOM 0 H LEU A 32 -4.805 -2.655 6.696 1.00 0.55 H new ATOM 0 HA LEU A 32 -6.935 -4.114 5.405 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -6.561 -4.046 7.865 1.00 0.60 H new ATOM 0 HB3 LEU A 32 -6.856 -2.319 7.856 1.00 0.60 H new ATOM 0 HG LEU A 32 -9.123 -3.316 6.624 1.00 0.73 H new ATOM 0 HD11 LEU A 32 -9.922 -5.119 8.089 1.00 0.94 H new ATOM 0 HD12 LEU A 32 -8.487 -5.610 7.157 1.00 0.94 H new ATOM 0 HD13 LEU A 32 -8.327 -5.181 8.877 1.00 0.94 H new ATOM 0 HD21 LEU A 32 -10.233 -2.757 8.745 1.00 0.85 H new ATOM 0 HD22 LEU A 32 -8.652 -2.720 9.560 1.00 0.85 H new ATOM 0 HD23 LEU A 32 -9.026 -1.533 8.288 1.00 0.85 H new ATOM 522 N VAL A 33 -8.475 -2.326 4.544 1.00 0.41 N ATOM 523 CA VAL A 33 -9.241 -1.312 3.829 1.00 0.36 C ATOM 524 C VAL A 33 -9.909 -0.341 4.800 1.00 0.41 C ATOM 525 O VAL A 33 -10.439 -0.753 5.838 1.00 0.51 O ATOM 526 CB VAL A 33 -10.306 -1.962 2.914 1.00 0.39 C ATOM 527 CG1 VAL A 33 -11.356 -0.956 2.465 1.00 0.49 C ATOM 528 CG2 VAL A 33 -9.642 -2.596 1.708 1.00 0.56 C ATOM 0 H VAL A 33 -8.868 -3.266 4.489 1.00 0.41 H new ATOM 0 HA VAL A 33 -8.542 -0.754 3.206 1.00 0.36 H new ATOM 0 HB VAL A 33 -10.813 -2.733 3.494 1.00 0.39 H new ATOM 0 HG11 VAL A 33 -12.085 -1.452 1.824 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -11.861 -0.543 3.338 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -10.875 -0.151 1.910 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -10.401 -3.050 1.071 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -9.106 -1.832 1.145 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -8.941 -3.362 2.039 1.00 0.56 H new ATOM 538 N THR A 34 -9.878 0.940 4.451 1.00 0.39 N ATOM 539 CA THR A 34 -10.463 1.985 5.277 1.00 0.48 C ATOM 540 C THR A 34 -11.993 1.883 5.291 1.00 0.59 C ATOM 541 O THR A 34 -12.647 2.057 4.259 1.00 0.65 O ATOM 542 CB THR A 34 -10.042 3.373 4.765 1.00 0.51 C ATOM 543 OG1 THR A 34 -8.763 3.286 4.114 1.00 0.49 O ATOM 544 CG2 THR A 34 -9.963 4.372 5.910 1.00 0.64 C ATOM 0 H THR A 34 -9.448 1.281 3.591 1.00 0.39 H new ATOM 0 HA THR A 34 -10.096 1.851 6.294 1.00 0.48 H new ATOM 0 HB THR A 34 -10.793 3.717 4.054 1.00 0.51 H new ATOM 0 HG1 THR A 34 -8.882 2.945 3.203 1.00 0.49 H new ATOM 0 HG21 THR A 34 -9.663 5.346 5.523 1.00 0.64 H new ATOM 0 HG22 THR A 34 -10.939 4.456 6.388 1.00 0.64 H new ATOM 0 HG23 THR A 34 -9.230 4.031 6.641 1.00 0.64 H new ATOM 552 N PRO A 35 -12.578 1.601 6.466 1.00 0.73 N ATOM 553 CA PRO A 35 -14.022 1.459 6.624 1.00 0.89 C ATOM 554 C PRO A 35 -14.722 2.788 6.912 1.00 0.93 C ATOM 555 O PRO A 35 -14.238 3.852 6.518 1.00 0.93 O ATOM 556 CB PRO A 35 -14.113 0.527 7.831 1.00 1.07 C ATOM 557 CG PRO A 35 -12.956 0.921 8.685 1.00 1.07 C ATOM 558 CD PRO A 35 -11.871 1.395 7.745 1.00 0.82 C ATOM 0 HA PRO A 35 -14.511 1.090 5.722 1.00 0.89 H new ATOM 0 HB2 PRO A 35 -15.058 0.651 8.359 1.00 1.07 H new ATOM 0 HB3 PRO A 35 -14.049 -0.519 7.532 1.00 1.07 H new ATOM 0 HG2 PRO A 35 -13.239 1.711 9.381 1.00 1.07 H new ATOM 0 HG3 PRO A 35 -12.610 0.078 9.283 1.00 1.07 H new ATOM 0 HD2 PRO A 35 -11.409 2.316 8.100 1.00 0.82 H new ATOM 0 HD3 PRO A 35 -11.075 0.656 7.648 1.00 0.82 H new ATOM 566 N GLN A 36 -15.870 2.701 7.589 1.00 1.02 N ATOM 567 CA GLN A 36 -16.673 3.860 7.967 1.00 1.13 C ATOM 568 C GLN A 36 -17.394 4.446 6.761 1.00 1.16 C ATOM 569 O GLN A 36 -17.444 5.664 6.586 1.00 1.24 O ATOM 570 CB GLN A 36 -15.828 4.926 8.672 1.00 1.16 C ATOM 571 CG GLN A 36 -15.544 4.603 10.131 1.00 1.38 C ATOM 572 CD GLN A 36 -16.814 4.408 10.934 1.00 1.95 C ATOM 573 OE1 GLN A 36 -17.325 3.294 11.054 1.00 2.47 O ATOM 574 NE2 GLN A 36 -17.335 5.491 11.486 1.00 2.33 N ATOM 0 H GLN A 36 -16.270 1.813 7.892 1.00 1.02 H new ATOM 0 HA GLN A 36 -17.426 3.516 8.676 1.00 1.13 H new ATOM 0 HB2 GLN A 36 -14.882 5.039 8.142 1.00 1.16 H new ATOM 0 HB3 GLN A 36 -16.343 5.885 8.613 1.00 1.16 H new ATOM 0 HG2 GLN A 36 -14.937 3.699 10.189 1.00 1.38 H new ATOM 0 HG3 GLN A 36 -14.958 5.409 10.572 1.00 1.38 H new ATOM 0 HE21 GLN A 36 -16.880 6.396 11.362 1.00 2.33 H new ATOM 0 HE22 GLN A 36 -18.192 5.422 12.035 1.00 2.33 H new ATOM 583 N GLN A 37 -17.966 3.571 5.939 1.00 1.15 N ATOM 584 CA GLN A 37 -18.699 4.001 4.755 1.00 1.23 C ATOM 585 C GLN A 37 -19.745 2.969 4.352 1.00 1.30 C ATOM 586 O GLN A 37 -20.909 3.075 4.739 1.00 1.64 O ATOM 587 CB GLN A 37 -17.749 4.268 3.586 1.00 1.16 C ATOM 588 CG GLN A 37 -17.386 5.735 3.414 1.00 1.33 C ATOM 589 CD GLN A 37 -18.600 6.647 3.456 1.00 1.52 C ATOM 590 OE1 GLN A 37 -19.253 6.888 2.441 1.00 1.79 O ATOM 591 NE2 GLN A 37 -18.906 7.160 4.636 1.00 1.82 N ATOM 0 H GLN A 37 -17.935 2.560 6.072 1.00 1.15 H new ATOM 0 HA GLN A 37 -19.209 4.931 5.007 1.00 1.23 H new ATOM 0 HB2 GLN A 37 -16.835 3.692 3.733 1.00 1.16 H new ATOM 0 HB3 GLN A 37 -18.209 3.907 2.666 1.00 1.16 H new ATOM 0 HG2 GLN A 37 -16.689 6.027 4.200 1.00 1.33 H new ATOM 0 HG3 GLN A 37 -16.869 5.868 2.464 1.00 1.33 H new ATOM 0 HE21 GLN A 37 -18.338 6.935 5.453 1.00 1.82 H new ATOM 0 HE22 GLN A 37 -19.710 7.781 4.729 1.00 1.82 H new ATOM 600 N GLY A 38 -19.333 1.974 3.580 1.00 1.14 N ATOM 601 CA GLY A 38 -20.263 0.953 3.146 1.00 1.21 C ATOM 602 C GLY A 38 -19.574 -0.334 2.745 1.00 1.14 C ATOM 603 O GLY A 38 -19.526 -0.661 1.566 1.00 1.17 O ATOM 0 H GLY A 38 -18.376 1.856 3.248 1.00 1.14 H new ATOM 0 HA2 GLY A 38 -20.970 0.746 3.949 1.00 1.21 H new ATOM 0 HA3 GLY A 38 -20.841 1.329 2.302 1.00 1.21 H new ATOM 607 N ASN A 39 -19.047 -1.051 3.742 1.00 1.13 N ATOM 608 CA ASN A 39 -18.345 -2.344 3.565 1.00 1.11 C ATOM 609 C ASN A 39 -17.361 -2.363 2.383 1.00 0.97 C ATOM 610 O ASN A 39 -16.182 -2.058 2.556 1.00 0.89 O ATOM 611 CB ASN A 39 -19.329 -3.534 3.479 1.00 1.30 C ATOM 612 CG ASN A 39 -20.533 -3.298 2.582 1.00 1.40 C ATOM 613 OD1 ASN A 39 -20.474 -3.515 1.372 1.00 1.84 O ATOM 614 ND2 ASN A 39 -21.633 -2.864 3.171 1.00 1.70 N ATOM 0 H ASN A 39 -19.092 -0.751 4.716 1.00 1.13 H new ATOM 0 HA ASN A 39 -17.743 -2.460 4.467 1.00 1.11 H new ATOM 0 HB2 ASN A 39 -18.789 -4.409 3.117 1.00 1.30 H new ATOM 0 HB3 ASN A 39 -19.682 -3.770 4.483 1.00 1.30 H new ATOM 0 HD21 ASN A 39 -22.475 -2.697 2.620 1.00 1.70 H new ATOM 0 HD22 ASN A 39 -21.641 -2.696 4.177 1.00 1.70 H new ATOM 621 N SER A 40 -17.835 -2.731 1.195 1.00 1.02 N ATOM 622 CA SER A 40 -16.987 -2.804 0.009 1.00 0.95 C ATOM 623 C SER A 40 -16.759 -1.428 -0.618 1.00 0.87 C ATOM 624 O SER A 40 -16.066 -1.303 -1.627 1.00 0.82 O ATOM 625 CB SER A 40 -17.611 -3.746 -1.019 1.00 1.07 C ATOM 626 OG SER A 40 -17.839 -5.030 -0.456 1.00 1.30 O ATOM 0 H SER A 40 -18.809 -2.985 1.028 1.00 1.02 H new ATOM 0 HA SER A 40 -16.016 -3.189 0.322 1.00 0.95 H new ATOM 0 HB2 SER A 40 -18.552 -3.329 -1.377 1.00 1.07 H new ATOM 0 HB3 SER A 40 -16.953 -3.835 -1.883 1.00 1.07 H new ATOM 0 HG SER A 40 -18.240 -5.616 -1.131 1.00 1.30 H new ATOM 632 N GLU A 41 -17.359 -0.406 -0.030 1.00 0.92 N ATOM 633 CA GLU A 41 -17.209 0.955 -0.515 1.00 0.88 C ATOM 634 C GLU A 41 -16.334 1.748 0.449 1.00 0.81 C ATOM 635 O GLU A 41 -16.822 2.284 1.446 1.00 0.90 O ATOM 636 CB GLU A 41 -18.574 1.626 -0.667 1.00 1.02 C ATOM 637 CG GLU A 41 -19.506 0.894 -1.620 1.00 1.34 C ATOM 638 CD GLU A 41 -20.879 1.523 -1.688 1.00 1.49 C ATOM 639 OE1 GLU A 41 -20.969 2.734 -1.969 1.00 1.83 O ATOM 640 OE2 GLU A 41 -21.881 0.807 -1.469 1.00 1.73 O ATOM 0 H GLU A 41 -17.959 -0.495 0.790 1.00 0.92 H new ATOM 0 HA GLU A 41 -16.732 0.930 -1.495 1.00 0.88 H new ATOM 0 HB2 GLU A 41 -19.048 1.694 0.312 1.00 1.02 H new ATOM 0 HB3 GLU A 41 -18.431 2.646 -1.023 1.00 1.02 H new ATOM 0 HG2 GLU A 41 -19.065 0.884 -2.617 1.00 1.34 H new ATOM 0 HG3 GLU A 41 -19.601 -0.144 -1.303 1.00 1.34 H new ATOM 647 N PRO A 42 -15.022 1.798 0.180 1.00 0.69 N ATOM 648 CA PRO A 42 -14.060 2.516 1.017 1.00 0.67 C ATOM 649 C PRO A 42 -14.155 4.029 0.840 1.00 0.69 C ATOM 650 O PRO A 42 -14.675 4.516 -0.165 1.00 0.77 O ATOM 651 CB PRO A 42 -12.694 2.012 0.526 1.00 0.60 C ATOM 652 CG PRO A 42 -12.980 0.903 -0.431 1.00 0.62 C ATOM 653 CD PRO A 42 -14.361 1.150 -0.956 1.00 0.64 C ATOM 0 HA PRO A 42 -14.238 2.334 2.077 1.00 0.67 H new ATOM 0 HB2 PRO A 42 -12.136 2.812 0.040 1.00 0.60 H new ATOM 0 HB3 PRO A 42 -12.086 1.660 1.360 1.00 0.60 H new ATOM 0 HG2 PRO A 42 -12.252 0.891 -1.242 1.00 0.62 H new ATOM 0 HG3 PRO A 42 -12.920 -0.065 0.066 1.00 0.62 H new ATOM 0 HD2 PRO A 42 -14.351 1.790 -1.838 1.00 0.64 H new ATOM 0 HD3 PRO A 42 -14.859 0.223 -1.240 1.00 0.64 H new ATOM 661 N VAL A 43 -13.648 4.767 1.824 1.00 0.67 N ATOM 662 CA VAL A 43 -13.668 6.227 1.781 1.00 0.72 C ATOM 663 C VAL A 43 -12.775 6.748 0.659 1.00 0.65 C ATOM 664 O VAL A 43 -11.951 6.016 0.117 1.00 0.58 O ATOM 665 CB VAL A 43 -13.205 6.848 3.118 1.00 0.76 C ATOM 666 CG1 VAL A 43 -14.132 6.452 4.256 1.00 0.90 C ATOM 667 CG2 VAL A 43 -11.774 6.448 3.439 1.00 0.67 C ATOM 0 H VAL A 43 -13.217 4.377 2.663 1.00 0.67 H new ATOM 0 HA VAL A 43 -14.701 6.521 1.598 1.00 0.72 H new ATOM 0 HB VAL A 43 -13.242 7.932 3.007 1.00 0.76 H new ATOM 0 HG11 VAL A 43 -13.782 6.903 5.184 1.00 0.90 H new ATOM 0 HG12 VAL A 43 -15.142 6.801 4.041 1.00 0.90 H new ATOM 0 HG13 VAL A 43 -14.138 5.367 4.360 1.00 0.90 H new ATOM 0 HG21 VAL A 43 -11.474 6.899 4.385 1.00 0.67 H new ATOM 0 HG22 VAL A 43 -11.708 5.363 3.517 1.00 0.67 H new ATOM 0 HG23 VAL A 43 -11.112 6.795 2.645 1.00 0.67 H new ATOM 677 N VAL A 44 -12.924 8.022 0.320 1.00 0.72 N ATOM 678 CA VAL A 44 -12.118 8.617 -0.737 1.00 0.71 C ATOM 679 C VAL A 44 -10.654 8.729 -0.313 1.00 0.66 C ATOM 680 O VAL A 44 -9.762 8.826 -1.152 1.00 0.68 O ATOM 681 CB VAL A 44 -12.643 10.004 -1.163 1.00 0.85 C ATOM 682 CG1 VAL A 44 -13.795 9.862 -2.147 1.00 1.06 C ATOM 683 CG2 VAL A 44 -13.077 10.821 0.047 1.00 0.98 C ATOM 0 H VAL A 44 -13.590 8.659 0.758 1.00 0.72 H new ATOM 0 HA VAL A 44 -12.194 7.951 -1.596 1.00 0.71 H new ATOM 0 HB VAL A 44 -11.828 10.534 -1.656 1.00 0.85 H new ATOM 0 HG11 VAL A 44 -14.151 10.851 -2.435 1.00 1.06 H new ATOM 0 HG12 VAL A 44 -13.453 9.327 -3.033 1.00 1.06 H new ATOM 0 HG13 VAL A 44 -14.607 9.306 -1.679 1.00 1.06 H new ATOM 0 HG21 VAL A 44 -13.442 11.794 -0.283 1.00 0.98 H new ATOM 0 HG22 VAL A 44 -13.872 10.295 0.575 1.00 0.98 H new ATOM 0 HG23 VAL A 44 -12.228 10.960 0.716 1.00 0.98 H new ATOM 693 N GLN A 45 -10.416 8.703 0.993 1.00 0.66 N ATOM 694 CA GLN A 45 -9.060 8.779 1.532 1.00 0.65 C ATOM 695 C GLN A 45 -8.480 7.382 1.723 1.00 0.57 C ATOM 696 O GLN A 45 -7.392 7.228 2.273 1.00 0.62 O ATOM 697 CB GLN A 45 -9.040 9.506 2.882 1.00 0.74 C ATOM 698 CG GLN A 45 -9.498 10.949 2.818 1.00 1.07 C ATOM 699 CD GLN A 45 -10.939 11.123 3.252 1.00 1.44 C ATOM 700 OE1 GLN A 45 -11.767 10.222 3.088 1.00 1.88 O ATOM 701 NE2 GLN A 45 -11.248 12.280 3.816 1.00 1.94 N ATOM 0 H GLN A 45 -11.146 8.630 1.702 1.00 0.66 H new ATOM 0 HA GLN A 45 -8.458 9.336 0.814 1.00 0.65 H new ATOM 0 HB2 GLN A 45 -9.677 8.965 3.582 1.00 0.74 H new ATOM 0 HB3 GLN A 45 -8.027 9.476 3.283 1.00 0.74 H new ATOM 0 HG2 GLN A 45 -8.855 11.559 3.453 1.00 1.07 H new ATOM 0 HG3 GLN A 45 -9.382 11.318 1.799 1.00 1.07 H new ATOM 0 HE21 GLN A 45 -10.533 12.998 3.932 1.00 1.94 H new ATOM 0 HE22 GLN A 45 -12.201 12.454 4.134 1.00 1.94 H new ATOM 710 N ASP A 46 -9.212 6.369 1.268 1.00 0.49 N ATOM 711 CA ASP A 46 -8.780 4.980 1.411 1.00 0.42 C ATOM 712 C ASP A 46 -7.463 4.716 0.697 1.00 0.41 C ATOM 713 O ASP A 46 -6.490 4.310 1.322 1.00 0.46 O ATOM 714 CB ASP A 46 -9.847 4.022 0.888 1.00 0.38 C ATOM 715 CG ASP A 46 -9.331 2.603 0.755 1.00 0.31 C ATOM 716 OD1 ASP A 46 -9.198 1.921 1.796 1.00 0.32 O ATOM 717 OD2 ASP A 46 -9.051 2.175 -0.390 1.00 0.31 O ATOM 0 H ASP A 46 -10.109 6.483 0.796 1.00 0.49 H new ATOM 0 HA ASP A 46 -8.629 4.805 2.476 1.00 0.42 H new ATOM 0 HB2 ASP A 46 -10.704 4.033 1.562 1.00 0.38 H new ATOM 0 HB3 ASP A 46 -10.200 4.370 -0.083 1.00 0.38 H new ATOM 722 N LEU A 47 -7.427 4.978 -0.604 1.00 0.46 N ATOM 723 CA LEU A 47 -6.223 4.745 -1.399 1.00 0.54 C ATOM 724 C LEU A 47 -5.026 5.508 -0.830 1.00 0.56 C ATOM 725 O LEU A 47 -3.882 5.067 -0.951 1.00 0.65 O ATOM 726 CB LEU A 47 -6.455 5.140 -2.861 1.00 0.66 C ATOM 727 CG LEU A 47 -6.420 6.643 -3.150 1.00 0.88 C ATOM 728 CD1 LEU A 47 -5.674 6.911 -4.443 1.00 1.41 C ATOM 729 CD2 LEU A 47 -7.828 7.215 -3.221 1.00 1.00 C ATOM 0 H LEU A 47 -8.216 5.351 -1.132 1.00 0.46 H new ATOM 0 HA LEU A 47 -5.999 3.679 -1.355 1.00 0.54 H new ATOM 0 HB2 LEU A 47 -5.699 4.652 -3.476 1.00 0.66 H new ATOM 0 HB3 LEU A 47 -7.423 4.749 -3.176 1.00 0.66 H new ATOM 0 HG LEU A 47 -5.895 7.137 -2.332 1.00 0.88 H new ATOM 0 HD11 LEU A 47 -5.656 7.983 -4.637 1.00 1.41 H new ATOM 0 HD12 LEU A 47 -4.652 6.541 -4.357 1.00 1.41 H new ATOM 0 HD13 LEU A 47 -6.177 6.402 -5.265 1.00 1.41 H new ATOM 0 HD21 LEU A 47 -7.776 8.284 -3.427 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -8.383 6.718 -4.017 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -8.335 7.053 -2.270 1.00 1.00 H new ATOM 741 N ALA A 48 -5.300 6.641 -0.198 1.00 0.58 N ATOM 742 CA ALA A 48 -4.255 7.457 0.392 1.00 0.69 C ATOM 743 C ALA A 48 -3.838 6.901 1.750 1.00 0.67 C ATOM 744 O ALA A 48 -2.685 7.024 2.155 1.00 0.76 O ATOM 745 CB ALA A 48 -4.732 8.894 0.533 1.00 0.83 C ATOM 0 H ALA A 48 -6.242 7.015 -0.082 1.00 0.58 H new ATOM 0 HA ALA A 48 -3.386 7.436 -0.266 1.00 0.69 H new ATOM 0 HB1 ALA A 48 -3.941 9.498 0.977 1.00 0.83 H new ATOM 0 HB2 ALA A 48 -4.984 9.292 -0.450 1.00 0.83 H new ATOM 0 HB3 ALA A 48 -5.613 8.924 1.174 1.00 0.83 H new ATOM 751 N GLN A 49 -4.783 6.284 2.444 1.00 0.60 N ATOM 752 CA GLN A 49 -4.533 5.713 3.760 1.00 0.62 C ATOM 753 C GLN A 49 -3.811 4.378 3.651 1.00 0.59 C ATOM 754 O GLN A 49 -2.908 4.087 4.433 1.00 0.66 O ATOM 755 CB GLN A 49 -5.853 5.523 4.504 1.00 0.62 C ATOM 756 CG GLN A 49 -5.899 6.212 5.859 1.00 0.95 C ATOM 757 CD GLN A 49 -5.683 7.713 5.769 1.00 1.27 C ATOM 758 OE1 GLN A 49 -5.139 8.325 6.688 1.00 1.86 O ATOM 759 NE2 GLN A 49 -6.115 8.319 4.675 1.00 1.43 N ATOM 0 H GLN A 49 -5.740 6.165 2.113 1.00 0.60 H new ATOM 0 HA GLN A 49 -3.897 6.404 4.313 1.00 0.62 H new ATOM 0 HB2 GLN A 49 -6.666 5.904 3.886 1.00 0.62 H new ATOM 0 HB3 GLN A 49 -6.031 4.457 4.643 1.00 0.62 H new ATOM 0 HG2 GLN A 49 -6.864 6.017 6.327 1.00 0.95 H new ATOM 0 HG3 GLN A 49 -5.137 5.779 6.507 1.00 0.95 H new ATOM 0 HE21 GLN A 49 -6.561 7.778 3.934 1.00 1.43 H new ATOM 0 HE22 GLN A 49 -6.002 9.327 4.572 1.00 1.43 H new ATOM 768 N LEU A 50 -4.220 3.576 2.675 1.00 0.52 N ATOM 769 CA LEU A 50 -3.636 2.257 2.443 1.00 0.53 C ATOM 770 C LEU A 50 -2.124 2.329 2.282 1.00 0.65 C ATOM 771 O LEU A 50 -1.391 1.502 2.822 1.00 0.72 O ATOM 772 CB LEU A 50 -4.245 1.627 1.191 1.00 0.46 C ATOM 773 CG LEU A 50 -5.759 1.423 1.231 1.00 0.36 C ATOM 774 CD1 LEU A 50 -6.244 0.775 -0.054 1.00 0.35 C ATOM 775 CD2 LEU A 50 -6.158 0.585 2.435 1.00 0.40 C ATOM 0 H LEU A 50 -4.965 3.820 2.022 1.00 0.52 H new ATOM 0 HA LEU A 50 -3.858 1.644 3.316 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -4.002 2.255 0.334 1.00 0.46 H new ATOM 0 HB3 LEU A 50 -3.769 0.661 1.023 1.00 0.46 H new ATOM 0 HG LEU A 50 -6.232 2.400 1.324 1.00 0.36 H new ATOM 0 HD11 LEU A 50 -7.324 0.638 -0.007 1.00 0.35 H new ATOM 0 HD12 LEU A 50 -5.996 1.415 -0.901 1.00 0.35 H new ATOM 0 HD13 LEU A 50 -5.760 -0.194 -0.178 1.00 0.35 H new ATOM 0 HD21 LEU A 50 -7.240 0.452 2.444 1.00 0.40 H new ATOM 0 HD22 LEU A 50 -5.673 -0.390 2.377 1.00 0.40 H new ATOM 0 HD23 LEU A 50 -5.847 1.091 3.349 1.00 0.40 H new ATOM 787 N VAL A 51 -1.662 3.320 1.542 1.00 0.70 N ATOM 788 CA VAL A 51 -0.238 3.483 1.304 1.00 0.84 C ATOM 789 C VAL A 51 0.444 4.230 2.459 1.00 0.90 C ATOM 790 O VAL A 51 1.601 3.958 2.794 1.00 1.01 O ATOM 791 CB VAL A 51 0.021 4.207 -0.038 1.00 0.90 C ATOM 792 CG1 VAL A 51 -0.487 5.643 -0.008 1.00 1.56 C ATOM 793 CG2 VAL A 51 1.495 4.160 -0.398 1.00 1.37 C ATOM 0 H VAL A 51 -2.250 4.024 1.096 1.00 0.70 H new ATOM 0 HA VAL A 51 0.198 2.486 1.247 1.00 0.84 H new ATOM 0 HB VAL A 51 -0.538 3.680 -0.811 1.00 0.90 H new ATOM 0 HG11 VAL A 51 -0.288 6.120 -0.968 1.00 1.56 H new ATOM 0 HG12 VAL A 51 -1.560 5.645 0.182 1.00 1.56 H new ATOM 0 HG13 VAL A 51 0.023 6.193 0.783 1.00 1.56 H new ATOM 0 HG21 VAL A 51 1.655 4.675 -1.345 1.00 1.37 H new ATOM 0 HG22 VAL A 51 2.076 4.649 0.384 1.00 1.37 H new ATOM 0 HG23 VAL A 51 1.814 3.122 -0.491 1.00 1.37 H new ATOM 803 N GLU A 52 -0.289 5.143 3.086 1.00 0.86 N ATOM 804 CA GLU A 52 0.247 5.926 4.192 1.00 0.93 C ATOM 805 C GLU A 52 0.478 5.050 5.422 1.00 0.95 C ATOM 806 O GLU A 52 1.583 5.003 5.964 1.00 1.07 O ATOM 807 CB GLU A 52 -0.700 7.084 4.530 1.00 0.91 C ATOM 808 CG GLU A 52 -0.185 7.990 5.637 1.00 1.13 C ATOM 809 CD GLU A 52 -0.720 9.404 5.542 1.00 1.17 C ATOM 810 OE1 GLU A 52 -0.700 9.986 4.436 1.00 1.40 O ATOM 811 OE2 GLU A 52 -1.160 9.946 6.574 1.00 1.37 O ATOM 0 H GLU A 52 -1.257 5.359 2.847 1.00 0.86 H new ATOM 0 HA GLU A 52 1.209 6.336 3.885 1.00 0.93 H new ATOM 0 HB2 GLU A 52 -0.866 7.680 3.633 1.00 0.91 H new ATOM 0 HB3 GLU A 52 -1.667 6.677 4.826 1.00 0.91 H new ATOM 0 HG2 GLU A 52 -0.461 7.567 6.603 1.00 1.13 H new ATOM 0 HG3 GLU A 52 0.904 8.016 5.600 1.00 1.13 H new ATOM 818 N GLU A 53 -0.553 4.314 5.824 1.00 0.86 N ATOM 819 CA GLU A 53 -0.473 3.448 6.999 1.00 0.89 C ATOM 820 C GLU A 53 0.269 2.149 6.696 1.00 0.93 C ATOM 821 O GLU A 53 0.302 1.236 7.521 1.00 1.01 O ATOM 822 CB GLU A 53 -1.875 3.135 7.534 1.00 0.85 C ATOM 823 CG GLU A 53 -2.561 4.330 8.178 1.00 1.33 C ATOM 824 CD GLU A 53 -3.760 3.939 9.022 1.00 1.45 C ATOM 825 OE1 GLU A 53 -3.571 3.266 10.059 1.00 1.81 O ATOM 826 OE2 GLU A 53 -4.896 4.318 8.663 1.00 1.99 O ATOM 0 H GLU A 53 -1.457 4.299 5.353 1.00 0.86 H new ATOM 0 HA GLU A 53 0.090 3.987 7.760 1.00 0.89 H new ATOM 0 HB2 GLU A 53 -2.494 2.769 6.715 1.00 0.85 H new ATOM 0 HB3 GLU A 53 -1.805 2.329 8.265 1.00 0.85 H new ATOM 0 HG2 GLU A 53 -1.843 4.862 8.801 1.00 1.33 H new ATOM 0 HG3 GLU A 53 -2.882 5.022 7.399 1.00 1.33 H new ATOM 833 N ALA A 54 0.866 2.066 5.514 1.00 0.93 N ATOM 834 CA ALA A 54 1.616 0.881 5.130 1.00 1.00 C ATOM 835 C ALA A 54 2.932 0.820 5.893 1.00 1.15 C ATOM 836 O ALA A 54 3.369 -0.246 6.324 1.00 1.28 O ATOM 837 CB ALA A 54 1.866 0.869 3.633 1.00 1.06 C ATOM 0 H ALA A 54 0.845 2.802 4.809 1.00 0.93 H new ATOM 0 HA ALA A 54 1.026 0.000 5.384 1.00 1.00 H new ATOM 0 HB1 ALA A 54 2.429 -0.025 3.365 1.00 1.06 H new ATOM 0 HB2 ALA A 54 0.912 0.870 3.105 1.00 1.06 H new ATOM 0 HB3 ALA A 54 2.437 1.754 3.352 1.00 1.06 H new ATOM 843 N THR A 55 3.554 1.978 6.062 1.00 1.21 N ATOM 844 CA THR A 55 4.821 2.072 6.774 1.00 1.38 C ATOM 845 C THR A 55 4.959 3.428 7.462 1.00 1.40 C ATOM 846 O THR A 55 6.032 3.783 7.943 1.00 1.55 O ATOM 847 CB THR A 55 6.011 1.865 5.817 1.00 1.60 C ATOM 848 OG1 THR A 55 5.591 2.089 4.462 1.00 1.81 O ATOM 849 CG2 THR A 55 6.582 0.462 5.949 1.00 1.77 C ATOM 0 H THR A 55 3.200 2.869 5.714 1.00 1.21 H new ATOM 0 HA THR A 55 4.829 1.284 7.527 1.00 1.38 H new ATOM 0 HB THR A 55 6.790 2.580 6.083 1.00 1.60 H new ATOM 0 HG1 THR A 55 4.879 1.457 4.232 1.00 1.81 H new ATOM 0 HG21 THR A 55 7.420 0.344 5.262 1.00 1.77 H new ATOM 0 HG22 THR A 55 6.925 0.304 6.971 1.00 1.77 H new ATOM 0 HG23 THR A 55 5.810 -0.269 5.708 1.00 1.77 H new ATOM 857 N GLY A 56 3.860 4.175 7.516 1.00 1.30 N ATOM 858 CA GLY A 56 3.886 5.489 8.129 1.00 1.34 C ATOM 859 C GLY A 56 4.523 6.518 7.217 1.00 1.42 C ATOM 860 O GLY A 56 5.351 7.323 7.647 1.00 1.55 O ATOM 0 H GLY A 56 2.952 3.893 7.146 1.00 1.30 H new ATOM 0 HA2 GLY A 56 2.869 5.798 8.372 1.00 1.34 H new ATOM 0 HA3 GLY A 56 4.438 5.442 9.068 1.00 1.34 H new ATOM 864 N VAL A 57 4.116 6.497 5.955 1.00 1.37 N ATOM 865 CA VAL A 57 4.652 7.409 4.952 1.00 1.46 C ATOM 866 C VAL A 57 3.653 8.505 4.629 1.00 1.37 C ATOM 867 O VAL A 57 2.513 8.217 4.275 1.00 1.26 O ATOM 868 CB VAL A 57 4.989 6.670 3.639 1.00 1.55 C ATOM 869 CG1 VAL A 57 5.902 7.513 2.761 1.00 1.70 C ATOM 870 CG2 VAL A 57 5.610 5.312 3.922 1.00 1.63 C ATOM 0 H VAL A 57 3.410 5.853 5.599 1.00 1.37 H new ATOM 0 HA VAL A 57 5.560 7.839 5.374 1.00 1.46 H new ATOM 0 HB VAL A 57 4.057 6.506 3.097 1.00 1.55 H new ATOM 0 HG11 VAL A 57 6.125 6.971 1.842 1.00 1.70 H new ATOM 0 HG12 VAL A 57 5.406 8.452 2.517 1.00 1.70 H new ATOM 0 HG13 VAL A 57 6.830 7.720 3.294 1.00 1.70 H new ATOM 0 HG21 VAL A 57 5.838 4.813 2.980 1.00 1.63 H new ATOM 0 HG22 VAL A 57 6.528 5.444 4.494 1.00 1.63 H new ATOM 0 HG23 VAL A 57 4.910 4.704 4.495 1.00 1.63 H new ATOM 880 N PRO A 58 4.057 9.773 4.757 1.00 1.45 N ATOM 881 CA PRO A 58 3.180 10.899 4.449 1.00 1.41 C ATOM 882 C PRO A 58 2.897 10.989 2.947 1.00 1.35 C ATOM 883 O PRO A 58 3.768 10.690 2.127 1.00 1.39 O ATOM 884 CB PRO A 58 3.972 12.117 4.936 1.00 1.56 C ATOM 885 CG PRO A 58 5.398 11.684 4.914 1.00 1.67 C ATOM 886 CD PRO A 58 5.390 10.210 5.211 1.00 1.63 C ATOM 0 HA PRO A 58 2.202 10.813 4.923 1.00 1.41 H new ATOM 0 HB2 PRO A 58 3.811 12.978 4.287 1.00 1.56 H new ATOM 0 HB3 PRO A 58 3.665 12.412 5.939 1.00 1.56 H new ATOM 0 HG2 PRO A 58 5.851 11.884 3.943 1.00 1.67 H new ATOM 0 HG3 PRO A 58 5.982 12.228 5.656 1.00 1.67 H new ATOM 0 HD2 PRO A 58 6.186 9.689 4.678 1.00 1.63 H new ATOM 0 HD3 PRO A 58 5.536 10.014 6.273 1.00 1.63 H new ATOM 894 N LEU A 59 1.682 11.410 2.602 1.00 1.29 N ATOM 895 CA LEU A 59 1.242 11.534 1.204 1.00 1.26 C ATOM 896 C LEU A 59 2.271 12.206 0.276 1.00 1.34 C ATOM 897 O LEU A 59 2.584 11.653 -0.776 1.00 1.35 O ATOM 898 CB LEU A 59 -0.092 12.285 1.133 1.00 1.25 C ATOM 899 CG LEU A 59 -1.342 11.403 1.152 1.00 1.25 C ATOM 900 CD1 LEU A 59 -2.599 12.258 1.212 1.00 1.27 C ATOM 901 CD2 LEU A 59 -1.374 10.499 -0.072 1.00 1.54 C ATOM 0 H LEU A 59 0.970 11.677 3.281 1.00 1.29 H new ATOM 0 HA LEU A 59 1.125 10.514 0.839 1.00 1.26 H new ATOM 0 HB2 LEU A 59 -0.144 12.979 1.972 1.00 1.25 H new ATOM 0 HB3 LEU A 59 -0.104 12.884 0.223 1.00 1.25 H new ATOM 0 HG LEU A 59 -1.307 10.778 2.044 1.00 1.25 H new ATOM 0 HD11 LEU A 59 -3.478 11.613 1.225 1.00 1.27 H new ATOM 0 HD12 LEU A 59 -2.582 12.866 2.116 1.00 1.27 H new ATOM 0 HD13 LEU A 59 -2.639 12.908 0.338 1.00 1.27 H new ATOM 0 HD21 LEU A 59 -2.270 9.878 -0.043 1.00 1.54 H new ATOM 0 HD22 LEU A 59 -1.385 11.109 -0.975 1.00 1.54 H new ATOM 0 HD23 LEU A 59 -0.490 9.861 -0.076 1.00 1.54 H new ATOM 913 N PRO A 60 2.822 13.391 0.629 1.00 1.42 N ATOM 914 CA PRO A 60 3.799 14.096 -0.228 1.00 1.52 C ATOM 915 C PRO A 60 5.117 13.341 -0.448 1.00 1.60 C ATOM 916 O PRO A 60 5.966 13.785 -1.222 1.00 1.79 O ATOM 917 CB PRO A 60 4.067 15.407 0.527 1.00 1.61 C ATOM 918 CG PRO A 60 2.920 15.556 1.465 1.00 1.56 C ATOM 919 CD PRO A 60 2.538 14.162 1.854 1.00 1.46 C ATOM 0 HA PRO A 60 3.396 14.221 -1.233 1.00 1.52 H new ATOM 0 HB2 PRO A 60 5.014 15.365 1.066 1.00 1.61 H new ATOM 0 HB3 PRO A 60 4.127 16.252 -0.159 1.00 1.61 H new ATOM 0 HG2 PRO A 60 3.201 16.144 2.339 1.00 1.56 H new ATOM 0 HG3 PRO A 60 2.087 16.072 0.988 1.00 1.56 H new ATOM 0 HD2 PRO A 60 3.122 13.804 2.702 1.00 1.46 H new ATOM 0 HD3 PRO A 60 1.488 14.095 2.140 1.00 1.46 H new ATOM 927 N PHE A 61 5.298 12.210 0.215 1.00 1.55 N ATOM 928 CA PHE A 61 6.528 11.443 0.068 1.00 1.63 C ATOM 929 C PHE A 61 6.336 10.249 -0.858 1.00 1.59 C ATOM 930 O PHE A 61 7.304 9.597 -1.252 1.00 1.70 O ATOM 931 CB PHE A 61 7.035 10.975 1.430 1.00 1.66 C ATOM 932 CG PHE A 61 8.072 11.886 2.020 1.00 1.80 C ATOM 933 CD1 PHE A 61 7.745 13.175 2.404 1.00 1.95 C ATOM 934 CD2 PHE A 61 9.378 11.455 2.174 1.00 2.00 C ATOM 935 CE1 PHE A 61 8.700 14.016 2.934 1.00 2.23 C ATOM 936 CE2 PHE A 61 10.340 12.292 2.706 1.00 2.25 C ATOM 937 CZ PHE A 61 10.002 13.575 3.084 1.00 2.34 C ATOM 0 H PHE A 61 4.616 11.804 0.856 1.00 1.55 H new ATOM 0 HA PHE A 61 7.272 12.101 -0.381 1.00 1.63 H new ATOM 0 HB2 PHE A 61 6.193 10.900 2.118 1.00 1.66 H new ATOM 0 HB3 PHE A 61 7.455 9.974 1.330 1.00 1.66 H new ATOM 0 HD1 PHE A 61 6.730 13.526 2.287 1.00 1.95 H new ATOM 0 HD2 PHE A 61 9.648 10.453 1.875 1.00 2.00 H new ATOM 0 HE1 PHE A 61 8.431 15.019 3.232 1.00 2.23 H new ATOM 0 HE2 PHE A 61 11.355 11.942 2.826 1.00 2.25 H new ATOM 0 HZ PHE A 61 10.752 14.233 3.496 1.00 2.34 H new ATOM 947 N GLN A 62 5.093 9.976 -1.219 1.00 1.47 N ATOM 948 CA GLN A 62 4.797 8.855 -2.091 1.00 1.44 C ATOM 949 C GLN A 62 3.958 9.303 -3.279 1.00 1.40 C ATOM 950 O GLN A 62 3.585 10.471 -3.387 1.00 1.55 O ATOM 951 CB GLN A 62 4.083 7.745 -1.314 1.00 1.38 C ATOM 952 CG GLN A 62 2.795 8.183 -0.632 1.00 1.35 C ATOM 953 CD GLN A 62 2.596 7.506 0.711 1.00 1.64 C ATOM 954 OE1 GLN A 62 3.129 6.424 0.961 1.00 2.14 O ATOM 955 NE2 GLN A 62 1.817 8.127 1.577 1.00 1.66 N ATOM 0 H GLN A 62 4.278 10.513 -0.923 1.00 1.47 H new ATOM 0 HA GLN A 62 5.739 8.459 -2.470 1.00 1.44 H new ATOM 0 HB2 GLN A 62 3.857 6.927 -1.998 1.00 1.38 H new ATOM 0 HB3 GLN A 62 4.764 7.351 -0.559 1.00 1.38 H new ATOM 0 HG2 GLN A 62 2.810 9.264 -0.493 1.00 1.35 H new ATOM 0 HG3 GLN A 62 1.948 7.956 -1.280 1.00 1.35 H new ATOM 0 HE21 GLN A 62 1.394 9.022 1.332 1.00 1.66 H new ATOM 0 HE22 GLN A 62 1.638 7.712 2.491 1.00 1.66 H new ATOM 964 N LYS A 63 3.679 8.374 -4.179 1.00 1.42 N ATOM 965 CA LYS A 63 2.880 8.664 -5.357 1.00 1.38 C ATOM 966 C LYS A 63 1.997 7.471 -5.694 1.00 1.27 C ATOM 967 O LYS A 63 2.381 6.609 -6.484 1.00 1.31 O ATOM 968 CB LYS A 63 3.782 9.007 -6.544 1.00 1.51 C ATOM 969 CG LYS A 63 3.052 9.689 -7.686 1.00 1.64 C ATOM 970 CD LYS A 63 4.015 10.426 -8.601 1.00 1.73 C ATOM 971 CE LYS A 63 3.283 11.425 -9.483 1.00 1.94 C ATOM 972 NZ LYS A 63 2.488 12.394 -8.681 1.00 2.29 N ATOM 0 H LYS A 63 3.997 7.407 -4.115 1.00 1.42 H new ATOM 0 HA LYS A 63 2.246 9.525 -5.146 1.00 1.38 H new ATOM 0 HB2 LYS A 63 4.588 9.655 -6.201 1.00 1.51 H new ATOM 0 HB3 LYS A 63 4.244 8.092 -6.914 1.00 1.51 H new ATOM 0 HG2 LYS A 63 2.499 8.946 -8.261 1.00 1.64 H new ATOM 0 HG3 LYS A 63 2.321 10.391 -7.284 1.00 1.64 H new ATOM 0 HD2 LYS A 63 4.763 10.946 -8.002 1.00 1.73 H new ATOM 0 HD3 LYS A 63 4.548 9.709 -9.225 1.00 1.73 H new ATOM 0 HE2 LYS A 63 4.005 11.966 -10.095 1.00 1.94 H new ATOM 0 HE3 LYS A 63 2.623 10.891 -10.166 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 2.612 13.351 -9.070 1.00 2.29 H new ATOM 0 HZ2 LYS A 63 1.482 12.132 -8.718 1.00 2.29 H new ATOM 0 HZ3 LYS A 63 2.814 12.377 -7.694 1.00 2.29 H new ATOM 986 N LEU A 64 0.832 7.415 -5.063 1.00 1.16 N ATOM 987 CA LEU A 64 -0.110 6.327 -5.281 1.00 1.06 C ATOM 988 C LEU A 64 -0.728 6.421 -6.669 1.00 1.05 C ATOM 989 O LEU A 64 -1.348 7.429 -7.019 1.00 1.06 O ATOM 990 CB LEU A 64 -1.212 6.347 -4.213 1.00 0.98 C ATOM 991 CG LEU A 64 -1.770 4.976 -3.807 1.00 0.91 C ATOM 992 CD1 LEU A 64 -2.701 4.424 -4.877 1.00 0.99 C ATOM 993 CD2 LEU A 64 -0.635 4.001 -3.536 1.00 1.06 C ATOM 0 H LEU A 64 0.516 8.115 -4.392 1.00 1.16 H new ATOM 0 HA LEU A 64 0.435 5.386 -5.205 1.00 1.06 H new ATOM 0 HB2 LEU A 64 -0.820 6.838 -3.322 1.00 0.98 H new ATOM 0 HB3 LEU A 64 -2.036 6.960 -4.578 1.00 0.98 H new ATOM 0 HG LEU A 64 -2.348 5.104 -2.892 1.00 0.91 H new ATOM 0 HD11 LEU A 64 -3.081 3.452 -4.562 1.00 0.99 H new ATOM 0 HD12 LEU A 64 -3.535 5.110 -5.023 1.00 0.99 H new ATOM 0 HD13 LEU A 64 -2.154 4.314 -5.813 1.00 0.99 H new ATOM 0 HD21 LEU A 64 -1.047 3.034 -3.249 1.00 1.06 H new ATOM 0 HD22 LEU A 64 -0.031 3.886 -4.436 1.00 1.06 H new ATOM 0 HD23 LEU A 64 -0.012 4.384 -2.728 1.00 1.06 H new ATOM 1005 N ILE A 65 -0.542 5.371 -7.456 1.00 1.07 N ATOM 1006 CA ILE A 65 -1.077 5.315 -8.807 1.00 1.08 C ATOM 1007 C ILE A 65 -1.678 3.943 -9.096 1.00 1.05 C ATOM 1008 O ILE A 65 -1.073 3.112 -9.775 1.00 1.15 O ATOM 1009 CB ILE A 65 -0.004 5.647 -9.866 1.00 1.22 C ATOM 1010 CG1 ILE A 65 1.343 5.018 -9.489 1.00 1.27 C ATOM 1011 CG2 ILE A 65 0.130 7.156 -10.029 1.00 1.42 C ATOM 1012 CD1 ILE A 65 2.354 5.037 -10.611 1.00 1.42 C ATOM 0 H ILE A 65 -0.020 4.540 -7.178 1.00 1.07 H new ATOM 0 HA ILE A 65 -1.860 6.071 -8.870 1.00 1.08 H new ATOM 0 HB ILE A 65 -0.318 5.224 -10.821 1.00 1.22 H new ATOM 0 HG12 ILE A 65 1.755 5.549 -8.631 1.00 1.27 H new ATOM 0 HG13 ILE A 65 1.178 3.987 -9.177 1.00 1.27 H new ATOM 0 HG21 ILE A 65 0.890 7.375 -10.779 1.00 1.42 H new ATOM 0 HG22 ILE A 65 -0.825 7.574 -10.348 1.00 1.42 H new ATOM 0 HG23 ILE A 65 0.421 7.600 -9.077 1.00 1.42 H new ATOM 0 HD11 ILE A 65 3.282 4.576 -10.272 1.00 1.42 H new ATOM 0 HD12 ILE A 65 1.963 4.481 -11.463 1.00 1.42 H new ATOM 0 HD13 ILE A 65 2.548 6.068 -10.908 1.00 1.42 H new ATOM 1024 N PHE A 66 -2.858 3.700 -8.549 1.00 0.93 N ATOM 1025 CA PHE A 66 -3.550 2.438 -8.753 1.00 0.91 C ATOM 1026 C PHE A 66 -5.035 2.621 -8.475 1.00 0.84 C ATOM 1027 O PHE A 66 -5.460 3.704 -8.068 1.00 0.81 O ATOM 1028 CB PHE A 66 -2.976 1.339 -7.851 1.00 0.89 C ATOM 1029 CG PHE A 66 -2.638 0.061 -8.579 1.00 0.97 C ATOM 1030 CD1 PHE A 66 -3.301 -0.292 -9.744 1.00 1.24 C ATOM 1031 CD2 PHE A 66 -1.659 -0.791 -8.092 1.00 1.20 C ATOM 1032 CE1 PHE A 66 -2.992 -1.462 -10.409 1.00 1.32 C ATOM 1033 CE2 PHE A 66 -1.344 -1.963 -8.751 1.00 1.28 C ATOM 1034 CZ PHE A 66 -2.012 -2.298 -9.912 1.00 1.16 C ATOM 0 H PHE A 66 -3.358 4.364 -7.958 1.00 0.93 H new ATOM 0 HA PHE A 66 -3.408 2.129 -9.789 1.00 0.91 H new ATOM 0 HB2 PHE A 66 -2.077 1.716 -7.364 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -3.696 1.117 -7.063 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -4.070 0.357 -10.137 1.00 1.24 H new ATOM 0 HD2 PHE A 66 -1.135 -0.534 -7.183 1.00 1.20 H new ATOM 0 HE1 PHE A 66 -3.516 -1.723 -11.317 1.00 1.32 H new ATOM 0 HE2 PHE A 66 -0.578 -2.615 -8.359 1.00 1.28 H new ATOM 0 HZ PHE A 66 -1.768 -3.213 -10.431 1.00 1.16 H new ATOM 1044 N LYS A 67 -5.811 1.559 -8.699 1.00 0.87 N ATOM 1045 CA LYS A 67 -7.265 1.575 -8.501 1.00 0.89 C ATOM 1046 C LYS A 67 -7.923 2.557 -9.468 1.00 0.84 C ATOM 1047 O LYS A 67 -9.093 2.907 -9.310 1.00 0.84 O ATOM 1048 CB LYS A 67 -7.637 1.957 -7.058 1.00 1.00 C ATOM 1049 CG LYS A 67 -6.858 1.212 -5.984 1.00 0.69 C ATOM 1050 CD LYS A 67 -7.306 1.631 -4.587 1.00 0.72 C ATOM 1051 CE LYS A 67 -7.733 0.433 -3.754 1.00 0.72 C ATOM 1052 NZ LYS A 67 -8.625 0.811 -2.621 1.00 0.54 N ATOM 0 H LYS A 67 -5.450 0.662 -9.023 1.00 0.87 H new ATOM 0 HA LYS A 67 -7.629 0.566 -8.696 1.00 0.89 H new ATOM 0 HB2 LYS A 67 -7.478 3.027 -6.927 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -8.701 1.773 -6.910 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -6.999 0.138 -6.107 1.00 0.69 H new ATOM 0 HG3 LYS A 67 -5.792 1.409 -6.101 1.00 0.69 H new ATOM 0 HD2 LYS A 67 -6.492 2.153 -4.084 1.00 0.72 H new ATOM 0 HD3 LYS A 67 -8.135 2.334 -4.666 1.00 0.72 H new ATOM 0 HE2 LYS A 67 -8.248 -0.284 -4.393 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -6.847 -0.067 -3.363 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -8.791 -0.020 -2.017 1.00 0.54 H new ATOM 0 HZ2 LYS A 67 -8.175 1.562 -2.060 1.00 0.54 H new ATOM 0 HZ3 LYS A 67 -9.533 1.155 -2.994 1.00 0.54 H new ATOM 1066 N GLY A 68 -7.162 2.994 -10.467 1.00 0.89 N ATOM 1067 CA GLY A 68 -7.668 3.952 -11.425 1.00 0.93 C ATOM 1068 C GLY A 68 -7.789 5.333 -10.811 1.00 0.94 C ATOM 1069 O GLY A 68 -8.550 6.179 -11.291 1.00 1.05 O ATOM 0 H GLY A 68 -6.199 2.698 -10.628 1.00 0.89 H new ATOM 0 HA2 GLY A 68 -7.003 3.992 -12.288 1.00 0.93 H new ATOM 0 HA3 GLY A 68 -8.643 3.626 -11.788 1.00 0.93 H new ATOM 1073 N LYS A 69 -7.039 5.561 -9.738 1.00 0.89 N ATOM 1074 CA LYS A 69 -7.075 6.832 -9.033 1.00 0.93 C ATOM 1075 C LYS A 69 -5.671 7.378 -8.814 1.00 0.96 C ATOM 1076 O LYS A 69 -4.678 6.745 -9.176 1.00 1.05 O ATOM 1077 CB LYS A 69 -7.756 6.662 -7.670 1.00 0.92 C ATOM 1078 CG LYS A 69 -8.954 5.731 -7.688 1.00 1.07 C ATOM 1079 CD LYS A 69 -9.441 5.427 -6.285 1.00 0.93 C ATOM 1080 CE LYS A 69 -10.418 6.483 -5.796 1.00 1.24 C ATOM 1081 NZ LYS A 69 -11.656 6.507 -6.621 1.00 1.50 N ATOM 0 H LYS A 69 -6.397 4.877 -9.338 1.00 0.89 H new ATOM 0 HA LYS A 69 -7.639 7.534 -9.647 1.00 0.93 H new ATOM 0 HB2 LYS A 69 -7.025 6.283 -6.956 1.00 0.92 H new ATOM 0 HB3 LYS A 69 -8.075 7.640 -7.311 1.00 0.92 H new ATOM 0 HG2 LYS A 69 -9.760 6.185 -8.264 1.00 1.07 H new ATOM 0 HG3 LYS A 69 -8.687 4.802 -8.191 1.00 1.07 H new ATOM 0 HD2 LYS A 69 -9.922 4.449 -6.269 1.00 0.93 H new ATOM 0 HD3 LYS A 69 -8.590 5.375 -5.606 1.00 0.93 H new ATOM 0 HE2 LYS A 69 -10.677 6.286 -4.756 1.00 1.24 H new ATOM 0 HE3 LYS A 69 -9.941 7.463 -5.826 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 -12.428 6.940 -6.075 1.00 1.50 H new ATOM 0 HZ2 LYS A 69 -11.488 7.063 -7.484 1.00 1.50 H new ATOM 0 HZ3 LYS A 69 -11.918 5.535 -6.882 1.00 1.50 H new ATOM 1095 N SER A 70 -5.608 8.557 -8.215 1.00 0.95 N ATOM 1096 CA SER A 70 -4.350 9.210 -7.906 1.00 1.00 C ATOM 1097 C SER A 70 -4.330 9.581 -6.427 1.00 0.93 C ATOM 1098 O SER A 70 -5.386 9.764 -5.819 1.00 0.89 O ATOM 1099 CB SER A 70 -4.174 10.460 -8.772 1.00 1.17 C ATOM 1100 OG SER A 70 -5.153 10.514 -9.800 1.00 1.46 O ATOM 0 H SER A 70 -6.431 9.088 -7.930 1.00 0.95 H new ATOM 0 HA SER A 70 -3.525 8.530 -8.119 1.00 1.00 H new ATOM 0 HB2 SER A 70 -4.248 11.351 -8.149 1.00 1.17 H new ATOM 0 HB3 SER A 70 -3.178 10.462 -9.214 1.00 1.17 H new ATOM 0 HG SER A 70 -5.852 11.155 -9.553 1.00 1.46 H new ATOM 1106 N LEU A 71 -3.139 9.669 -5.850 1.00 1.01 N ATOM 1107 CA LEU A 71 -2.985 10.011 -4.437 1.00 0.99 C ATOM 1108 C LEU A 71 -3.662 11.341 -4.099 1.00 1.00 C ATOM 1109 O LEU A 71 -3.250 12.405 -4.568 1.00 1.13 O ATOM 1110 CB LEU A 71 -1.498 10.053 -4.047 1.00 1.11 C ATOM 1111 CG LEU A 71 -0.667 11.176 -4.683 1.00 1.24 C ATOM 1112 CD1 LEU A 71 0.482 11.567 -3.768 1.00 1.35 C ATOM 1113 CD2 LEU A 71 -0.145 10.755 -6.050 1.00 1.28 C ATOM 0 H LEU A 71 -2.259 9.508 -6.340 1.00 1.01 H new ATOM 0 HA LEU A 71 -3.479 9.231 -3.858 1.00 0.99 H new ATOM 0 HB2 LEU A 71 -1.430 10.147 -2.963 1.00 1.11 H new ATOM 0 HB3 LEU A 71 -1.046 9.098 -4.314 1.00 1.11 H new ATOM 0 HG LEU A 71 -1.312 12.044 -4.820 1.00 1.24 H new ATOM 0 HD11 LEU A 71 1.062 12.364 -4.233 1.00 1.35 H new ATOM 0 HD12 LEU A 71 0.085 11.915 -2.814 1.00 1.35 H new ATOM 0 HD13 LEU A 71 1.124 10.702 -3.600 1.00 1.35 H new ATOM 0 HD21 LEU A 71 0.441 11.567 -6.481 1.00 1.28 H new ATOM 0 HD22 LEU A 71 0.483 9.871 -5.943 1.00 1.28 H new ATOM 0 HD23 LEU A 71 -0.985 10.526 -6.705 1.00 1.28 H new ATOM 1125 N LYS A 72 -4.710 11.264 -3.292 1.00 0.95 N ATOM 1126 CA LYS A 72 -5.457 12.439 -2.880 1.00 0.99 C ATOM 1127 C LYS A 72 -6.445 12.061 -1.783 1.00 0.95 C ATOM 1128 O LYS A 72 -6.786 10.889 -1.629 1.00 0.92 O ATOM 1129 CB LYS A 72 -6.200 13.040 -4.078 1.00 1.02 C ATOM 1130 CG LYS A 72 -6.522 14.518 -3.922 1.00 1.22 C ATOM 1131 CD LYS A 72 -6.768 15.183 -5.266 1.00 1.29 C ATOM 1132 CE LYS A 72 -5.730 16.256 -5.550 1.00 1.62 C ATOM 1133 NZ LYS A 72 -5.844 16.792 -6.931 1.00 1.90 N ATOM 0 H LYS A 72 -5.064 10.388 -2.907 1.00 0.95 H new ATOM 0 HA LYS A 72 -4.763 13.185 -2.492 1.00 0.99 H new ATOM 0 HB2 LYS A 72 -5.596 12.902 -4.975 1.00 1.02 H new ATOM 0 HB3 LYS A 72 -7.128 12.490 -4.231 1.00 1.02 H new ATOM 0 HG2 LYS A 72 -7.403 14.634 -3.291 1.00 1.22 H new ATOM 0 HG3 LYS A 72 -5.698 15.019 -3.413 1.00 1.22 H new ATOM 0 HD2 LYS A 72 -6.743 14.432 -6.056 1.00 1.29 H new ATOM 0 HD3 LYS A 72 -7.764 15.625 -5.278 1.00 1.29 H new ATOM 0 HE2 LYS A 72 -5.846 17.070 -4.835 1.00 1.62 H new ATOM 0 HE3 LYS A 72 -4.732 15.842 -5.403 1.00 1.62 H new ATOM 0 HZ1 LYS A 72 -5.117 17.521 -7.082 1.00 1.90 H new ATOM 0 HZ2 LYS A 72 -5.708 16.021 -7.615 1.00 1.90 H new ATOM 0 HZ3 LYS A 72 -6.787 17.210 -7.064 1.00 1.90 H new ATOM 1147 N GLU A 73 -6.893 13.051 -1.022 1.00 1.00 N ATOM 1148 CA GLU A 73 -7.847 12.812 0.057 1.00 1.01 C ATOM 1149 C GLU A 73 -9.269 12.784 -0.493 1.00 0.98 C ATOM 1150 O GLU A 73 -10.221 12.465 0.219 1.00 1.01 O ATOM 1151 CB GLU A 73 -7.728 13.893 1.141 1.00 1.14 C ATOM 1152 CG GLU A 73 -6.365 14.567 1.203 1.00 1.33 C ATOM 1153 CD GLU A 73 -6.312 15.838 0.379 1.00 1.55 C ATOM 1154 OE1 GLU A 73 -6.243 15.741 -0.864 1.00 1.66 O ATOM 1155 OE2 GLU A 73 -6.353 16.939 0.970 1.00 1.98 O ATOM 0 H GLU A 73 -6.613 14.026 -1.130 1.00 1.00 H new ATOM 0 HA GLU A 73 -7.618 11.845 0.505 1.00 1.01 H new ATOM 0 HB2 GLU A 73 -8.489 14.653 0.965 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -7.943 13.444 2.111 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -6.124 14.799 2.240 1.00 1.33 H new ATOM 0 HG3 GLU A 73 -5.603 13.874 0.846 1.00 1.33 H new ATOM 1162 N MET A 74 -9.401 13.130 -1.767 1.00 1.01 N ATOM 1163 CA MET A 74 -10.695 13.151 -2.437 1.00 1.03 C ATOM 1164 C MET A 74 -10.498 13.273 -3.945 1.00 1.05 C ATOM 1165 O MET A 74 -10.490 14.369 -4.503 1.00 1.16 O ATOM 1166 CB MET A 74 -11.572 14.298 -1.903 1.00 1.15 C ATOM 1167 CG MET A 74 -10.838 15.622 -1.760 1.00 1.26 C ATOM 1168 SD MET A 74 -11.569 16.700 -0.514 1.00 1.65 S ATOM 1169 CE MET A 74 -10.397 18.057 -0.513 1.00 1.77 C ATOM 0 H MET A 74 -8.619 13.403 -2.362 1.00 1.01 H new ATOM 0 HA MET A 74 -11.212 12.215 -2.227 1.00 1.03 H new ATOM 0 HB2 MET A 74 -12.421 14.435 -2.573 1.00 1.15 H new ATOM 0 HB3 MET A 74 -11.976 14.011 -0.932 1.00 1.15 H new ATOM 0 HG2 MET A 74 -9.797 15.428 -1.500 1.00 1.26 H new ATOM 0 HG3 MET A 74 -10.836 16.136 -2.721 1.00 1.26 H new ATOM 0 HE1 MET A 74 -10.712 18.809 0.210 1.00 1.77 H new ATOM 0 HE2 MET A 74 -9.409 17.684 -0.242 1.00 1.77 H new ATOM 0 HE3 MET A 74 -10.356 18.504 -1.507 1.00 1.77 H new ATOM 1179 N GLU A 75 -10.302 12.132 -4.592 1.00 1.07 N ATOM 1180 CA GLU A 75 -10.093 12.096 -6.034 1.00 1.14 C ATOM 1181 C GLU A 75 -11.382 11.711 -6.761 1.00 1.13 C ATOM 1182 O GLU A 75 -12.158 12.572 -7.167 1.00 1.31 O ATOM 1183 CB GLU A 75 -8.964 11.116 -6.384 1.00 1.16 C ATOM 1184 CG GLU A 75 -8.641 11.043 -7.871 1.00 1.28 C ATOM 1185 CD GLU A 75 -8.035 12.329 -8.406 1.00 1.49 C ATOM 1186 OE1 GLU A 75 -8.714 13.372 -8.372 1.00 1.65 O ATOM 1187 OE2 GLU A 75 -6.879 12.296 -8.878 1.00 1.89 O ATOM 0 H GLU A 75 -10.283 11.217 -4.141 1.00 1.07 H new ATOM 0 HA GLU A 75 -9.804 13.094 -6.364 1.00 1.14 H new ATOM 0 HB2 GLU A 75 -8.064 11.407 -5.842 1.00 1.16 H new ATOM 0 HB3 GLU A 75 -9.240 10.121 -6.034 1.00 1.16 H new ATOM 0 HG2 GLU A 75 -7.949 10.220 -8.048 1.00 1.28 H new ATOM 0 HG3 GLU A 75 -9.552 10.818 -8.425 1.00 1.28 H new ATOM 1194 N THR A 76 -11.612 10.416 -6.912 1.00 1.06 N ATOM 1195 CA THR A 76 -12.799 9.927 -7.598 1.00 1.09 C ATOM 1196 C THR A 76 -13.750 9.240 -6.616 1.00 1.04 C ATOM 1197 O THR A 76 -13.312 8.765 -5.563 1.00 0.98 O ATOM 1198 CB THR A 76 -12.407 8.954 -8.726 1.00 1.13 C ATOM 1199 OG1 THR A 76 -11.110 8.399 -8.462 1.00 1.07 O ATOM 1200 CG2 THR A 76 -12.391 9.661 -10.071 1.00 1.29 C ATOM 0 H THR A 76 -10.991 9.683 -6.568 1.00 1.06 H new ATOM 0 HA THR A 76 -13.314 10.782 -8.035 1.00 1.09 H new ATOM 0 HB THR A 76 -13.148 8.156 -8.761 1.00 1.13 H new ATOM 0 HG1 THR A 76 -10.798 7.908 -9.250 1.00 1.07 H new ATOM 0 HG21 THR A 76 -12.111 8.953 -10.851 1.00 1.29 H new ATOM 0 HG22 THR A 76 -13.382 10.062 -10.283 1.00 1.29 H new ATOM 0 HG23 THR A 76 -11.668 10.476 -10.045 1.00 1.29 H new ATOM 1208 N PRO A 77 -15.054 9.172 -6.962 1.00 1.12 N ATOM 1209 CA PRO A 77 -16.109 8.565 -6.126 1.00 1.14 C ATOM 1210 C PRO A 77 -15.759 7.185 -5.557 1.00 1.01 C ATOM 1211 O PRO A 77 -14.851 6.493 -6.037 1.00 0.94 O ATOM 1212 CB PRO A 77 -17.313 8.451 -7.076 1.00 1.26 C ATOM 1213 CG PRO A 77 -16.804 8.811 -8.433 1.00 1.36 C ATOM 1214 CD PRO A 77 -15.618 9.699 -8.211 1.00 1.24 C ATOM 0 HA PRO A 77 -16.283 9.178 -5.242 1.00 1.14 H new ATOM 0 HB2 PRO A 77 -17.721 7.440 -7.068 1.00 1.26 H new ATOM 0 HB3 PRO A 77 -18.116 9.122 -6.770 1.00 1.26 H new ATOM 0 HG2 PRO A 77 -16.523 7.919 -8.993 1.00 1.36 H new ATOM 0 HG3 PRO A 77 -17.571 9.324 -9.013 1.00 1.36 H new ATOM 0 HD2 PRO A 77 -14.906 9.639 -9.034 1.00 1.24 H new ATOM 0 HD3 PRO A 77 -15.907 10.746 -8.116 1.00 1.24 H new ATOM 1222 N LEU A 78 -16.524 6.789 -4.544 1.00 1.03 N ATOM 1223 CA LEU A 78 -16.341 5.514 -3.852 1.00 0.97 C ATOM 1224 C LEU A 78 -16.590 4.337 -4.784 1.00 0.95 C ATOM 1225 O LEU A 78 -16.056 3.247 -4.582 1.00 0.87 O ATOM 1226 CB LEU A 78 -17.285 5.423 -2.650 1.00 1.07 C ATOM 1227 CG LEU A 78 -16.884 6.252 -1.423 1.00 1.18 C ATOM 1228 CD1 LEU A 78 -17.095 7.740 -1.663 1.00 1.65 C ATOM 1229 CD2 LEU A 78 -17.671 5.798 -0.206 1.00 1.22 C ATOM 0 H LEU A 78 -17.295 7.347 -4.176 1.00 1.03 H new ATOM 0 HA LEU A 78 -15.307 5.469 -3.509 1.00 0.97 H new ATOM 0 HB2 LEU A 78 -18.279 5.737 -2.968 1.00 1.07 H new ATOM 0 HB3 LEU A 78 -17.361 4.378 -2.350 1.00 1.07 H new ATOM 0 HG LEU A 78 -15.821 6.092 -1.242 1.00 1.18 H new ATOM 0 HD11 LEU A 78 -16.801 8.297 -0.774 1.00 1.65 H new ATOM 0 HD12 LEU A 78 -16.489 8.062 -2.510 1.00 1.65 H new ATOM 0 HD13 LEU A 78 -18.147 7.928 -1.878 1.00 1.65 H new ATOM 0 HD21 LEU A 78 -17.378 6.393 0.659 1.00 1.22 H new ATOM 0 HD22 LEU A 78 -18.737 5.929 -0.393 1.00 1.22 H new ATOM 0 HD23 LEU A 78 -17.463 4.746 -0.010 1.00 1.22 H new ATOM 1241 N SER A 79 -17.401 4.566 -5.806 1.00 1.07 N ATOM 1242 CA SER A 79 -17.728 3.537 -6.783 1.00 1.12 C ATOM 1243 C SER A 79 -16.481 3.072 -7.538 1.00 1.00 C ATOM 1244 O SER A 79 -16.443 1.974 -8.095 1.00 1.04 O ATOM 1245 CB SER A 79 -18.758 4.098 -7.751 1.00 1.31 C ATOM 1246 OG SER A 79 -19.094 5.430 -7.392 1.00 1.68 O ATOM 0 H SER A 79 -17.849 5.465 -5.981 1.00 1.07 H new ATOM 0 HA SER A 79 -18.136 2.668 -6.266 1.00 1.12 H new ATOM 0 HB2 SER A 79 -18.363 4.076 -8.767 1.00 1.31 H new ATOM 0 HB3 SER A 79 -19.652 3.475 -7.743 1.00 1.31 H new ATOM 0 HG SER A 79 -19.665 5.420 -6.595 1.00 1.68 H new ATOM 1252 N ALA A 80 -15.459 3.918 -7.539 1.00 0.93 N ATOM 1253 CA ALA A 80 -14.210 3.612 -8.208 1.00 0.88 C ATOM 1254 C ALA A 80 -13.063 3.587 -7.207 1.00 0.74 C ATOM 1255 O ALA A 80 -11.931 3.936 -7.533 1.00 0.81 O ATOM 1256 CB ALA A 80 -13.939 4.630 -9.304 1.00 1.02 C ATOM 0 H ALA A 80 -15.476 4.828 -7.079 1.00 0.93 H new ATOM 0 HA ALA A 80 -14.290 2.625 -8.663 1.00 0.88 H new ATOM 0 HB1 ALA A 80 -12.998 4.390 -9.799 1.00 1.02 H new ATOM 0 HB2 ALA A 80 -14.749 4.605 -10.033 1.00 1.02 H new ATOM 0 HB3 ALA A 80 -13.875 5.627 -8.867 1.00 1.02 H new ATOM 1262 N LEU A 81 -13.363 3.202 -5.974 1.00 0.66 N ATOM 1263 CA LEU A 81 -12.347 3.125 -4.930 1.00 0.55 C ATOM 1264 C LEU A 81 -11.691 1.749 -4.941 1.00 0.52 C ATOM 1265 O LEU A 81 -10.740 1.491 -4.203 1.00 0.56 O ATOM 1266 CB LEU A 81 -12.966 3.388 -3.551 1.00 0.59 C ATOM 1267 CG LEU A 81 -12.337 4.521 -2.731 1.00 0.59 C ATOM 1268 CD1 LEU A 81 -10.824 4.380 -2.664 1.00 0.49 C ATOM 1269 CD2 LEU A 81 -12.725 5.873 -3.300 1.00 0.75 C ATOM 0 H LEU A 81 -14.301 2.938 -5.671 1.00 0.66 H new ATOM 0 HA LEU A 81 -11.594 3.888 -5.128 1.00 0.55 H new ATOM 0 HB2 LEU A 81 -14.024 3.611 -3.687 1.00 0.59 H new ATOM 0 HB3 LEU A 81 -12.906 2.469 -2.968 1.00 0.59 H new ATOM 0 HG LEU A 81 -12.723 4.451 -1.714 1.00 0.59 H new ATOM 0 HD11 LEU A 81 -10.408 5.198 -2.076 1.00 0.49 H new ATOM 0 HD12 LEU A 81 -10.568 3.430 -2.196 1.00 0.49 H new ATOM 0 HD13 LEU A 81 -10.411 4.411 -3.672 1.00 0.49 H new ATOM 0 HD21 LEU A 81 -12.269 6.663 -2.704 1.00 0.75 H new ATOM 0 HD22 LEU A 81 -12.376 5.948 -4.330 1.00 0.75 H new ATOM 0 HD23 LEU A 81 -13.809 5.980 -3.275 1.00 0.75 H new ATOM 1281 N GLY A 82 -12.203 0.877 -5.794 1.00 0.59 N ATOM 1282 CA GLY A 82 -11.685 -0.467 -5.887 1.00 0.62 C ATOM 1283 C GLY A 82 -12.655 -1.452 -5.280 1.00 0.63 C ATOM 1284 O GLY A 82 -12.502 -1.848 -4.126 1.00 0.64 O ATOM 0 H GLY A 82 -12.975 1.081 -6.428 1.00 0.59 H new ATOM 0 HA2 GLY A 82 -11.505 -0.722 -6.931 1.00 0.62 H new ATOM 0 HA3 GLY A 82 -10.726 -0.529 -5.374 1.00 0.62 H new ATOM 1288 N MET A 83 -13.653 -1.851 -6.064 1.00 0.84 N ATOM 1289 CA MET A 83 -14.687 -2.779 -5.604 1.00 1.01 C ATOM 1290 C MET A 83 -14.179 -4.222 -5.528 1.00 0.98 C ATOM 1291 O MET A 83 -14.867 -5.166 -5.918 1.00 1.26 O ATOM 1292 CB MET A 83 -15.914 -2.690 -6.519 1.00 1.34 C ATOM 1293 CG MET A 83 -15.647 -3.107 -7.955 1.00 1.54 C ATOM 1294 SD MET A 83 -17.120 -2.998 -8.987 1.00 2.03 S ATOM 1295 CE MET A 83 -16.713 -4.172 -10.275 1.00 2.27 C ATOM 0 H MET A 83 -13.769 -1.544 -7.030 1.00 0.84 H new ATOM 0 HA MET A 83 -14.966 -2.485 -4.592 1.00 1.01 H new ATOM 0 HB2 MET A 83 -16.705 -3.319 -6.110 1.00 1.34 H new ATOM 0 HB3 MET A 83 -16.286 -1.665 -6.512 1.00 1.34 H new ATOM 0 HG2 MET A 83 -14.865 -2.474 -8.375 1.00 1.54 H new ATOM 0 HG3 MET A 83 -15.271 -4.130 -7.970 1.00 1.54 H new ATOM 0 HE1 MET A 83 -17.530 -4.219 -10.995 1.00 2.27 H new ATOM 0 HE2 MET A 83 -15.801 -3.856 -10.781 1.00 2.27 H new ATOM 0 HE3 MET A 83 -16.560 -5.157 -9.834 1.00 2.27 H new ATOM 1305 N GLN A 84 -12.979 -4.380 -5.007 1.00 0.89 N ATOM 1306 CA GLN A 84 -12.371 -5.687 -4.844 1.00 0.89 C ATOM 1307 C GLN A 84 -12.163 -5.934 -3.363 1.00 0.84 C ATOM 1308 O GLN A 84 -12.485 -5.078 -2.542 1.00 1.06 O ATOM 1309 CB GLN A 84 -11.023 -5.769 -5.566 1.00 0.92 C ATOM 1310 CG GLN A 84 -11.059 -5.324 -7.015 1.00 0.99 C ATOM 1311 CD GLN A 84 -9.783 -5.674 -7.754 1.00 1.05 C ATOM 1312 OE1 GLN A 84 -8.810 -4.925 -7.713 1.00 1.20 O ATOM 1313 NE2 GLN A 84 -9.773 -6.810 -8.433 1.00 1.38 N ATOM 0 H GLN A 84 -12.397 -3.607 -4.684 1.00 0.89 H new ATOM 0 HA GLN A 84 -13.029 -6.440 -5.277 1.00 0.89 H new ATOM 0 HB2 GLN A 84 -10.299 -5.156 -5.029 1.00 0.92 H new ATOM 0 HB3 GLN A 84 -10.664 -6.797 -5.523 1.00 0.92 H new ATOM 0 HG2 GLN A 84 -11.907 -5.792 -7.516 1.00 0.99 H new ATOM 0 HG3 GLN A 84 -11.218 -4.247 -7.058 1.00 0.99 H new ATOM 0 HE21 GLN A 84 -10.601 -7.406 -8.443 1.00 1.38 H new ATOM 0 HE22 GLN A 84 -8.937 -7.090 -8.946 1.00 1.38 H new ATOM 1322 N ASN A 85 -11.615 -7.084 -3.011 1.00 0.74 N ATOM 1323 CA ASN A 85 -11.364 -7.384 -1.608 1.00 0.78 C ATOM 1324 C ASN A 85 -10.078 -6.710 -1.145 1.00 0.72 C ATOM 1325 O ASN A 85 -9.158 -7.362 -0.649 1.00 0.98 O ATOM 1326 CB ASN A 85 -11.297 -8.890 -1.360 1.00 0.91 C ATOM 1327 CG ASN A 85 -10.470 -9.636 -2.385 1.00 0.91 C ATOM 1328 OD1 ASN A 85 -10.953 -9.949 -3.467 1.00 1.15 O ATOM 1329 ND2 ASN A 85 -9.231 -9.949 -2.042 1.00 1.09 N ATOM 0 H ASN A 85 -11.338 -7.817 -3.664 1.00 0.74 H new ATOM 0 HA ASN A 85 -12.199 -6.990 -1.028 1.00 0.78 H new ATOM 0 HB2 ASN A 85 -10.880 -9.068 -0.369 1.00 0.91 H new ATOM 0 HB3 ASN A 85 -12.309 -9.295 -1.357 1.00 0.91 H new ATOM 0 HD21 ASN A 85 -8.639 -10.470 -2.689 1.00 1.09 H new ATOM 0 HD22 ASN A 85 -8.868 -9.669 -1.131 1.00 1.09 H new ATOM 1336 N GLY A 86 -10.036 -5.396 -1.313 1.00 0.62 N ATOM 1337 CA GLY A 86 -8.876 -4.624 -0.934 1.00 0.57 C ATOM 1338 C GLY A 86 -8.219 -3.974 -2.131 1.00 0.51 C ATOM 1339 O GLY A 86 -7.772 -2.832 -2.052 1.00 0.49 O ATOM 0 H GLY A 86 -10.798 -4.847 -1.711 1.00 0.62 H new ATOM 0 HA2 GLY A 86 -9.169 -3.856 -0.218 1.00 0.57 H new ATOM 0 HA3 GLY A 86 -8.157 -5.271 -0.431 1.00 0.57 H new ATOM 1343 N CYS A 87 -8.194 -4.703 -3.247 1.00 0.59 N ATOM 1344 CA CYS A 87 -7.583 -4.227 -4.487 1.00 0.62 C ATOM 1345 C CYS A 87 -6.061 -4.142 -4.325 1.00 0.65 C ATOM 1346 O CYS A 87 -5.491 -4.749 -3.415 1.00 0.68 O ATOM 1347 CB CYS A 87 -8.171 -2.869 -4.896 1.00 0.62 C ATOM 1348 SG CYS A 87 -7.859 -2.399 -6.614 1.00 0.79 S ATOM 0 H CYS A 87 -8.596 -5.638 -3.316 1.00 0.59 H new ATOM 0 HA CYS A 87 -7.805 -4.938 -5.283 1.00 0.62 H new ATOM 0 HB2 CYS A 87 -9.248 -2.889 -4.729 1.00 0.62 H new ATOM 0 HB3 CYS A 87 -7.761 -2.099 -4.242 1.00 0.62 H new ATOM 0 HG CYS A 87 -8.099 -3.413 -7.392 1.00 0.79 H new ATOM 1354 N ARG A 88 -5.399 -3.415 -5.211 1.00 0.69 N ATOM 1355 CA ARG A 88 -3.952 -3.271 -5.147 1.00 0.77 C ATOM 1356 C ARG A 88 -3.574 -1.802 -5.223 1.00 0.75 C ATOM 1357 O ARG A 88 -4.234 -1.028 -5.916 1.00 0.72 O ATOM 1358 CB ARG A 88 -3.273 -4.032 -6.293 1.00 0.93 C ATOM 1359 CG ARG A 88 -3.550 -5.528 -6.303 1.00 1.03 C ATOM 1360 CD ARG A 88 -4.693 -5.878 -7.243 1.00 1.11 C ATOM 1361 NE ARG A 88 -4.368 -5.597 -8.645 1.00 1.27 N ATOM 1362 CZ ARG A 88 -5.282 -5.326 -9.581 1.00 1.47 C ATOM 1363 NH1 ARG A 88 -6.567 -5.259 -9.260 1.00 1.55 N ATOM 1364 NH2 ARG A 88 -4.915 -5.112 -10.837 1.00 1.74 N ATOM 0 H ARG A 88 -5.840 -2.915 -5.983 1.00 0.69 H new ATOM 0 HA ARG A 88 -3.611 -3.690 -4.200 1.00 0.77 H new ATOM 0 HB2 ARG A 88 -3.603 -3.607 -7.241 1.00 0.93 H new ATOM 0 HB3 ARG A 88 -2.196 -3.874 -6.230 1.00 0.93 H new ATOM 0 HG2 ARG A 88 -2.651 -6.063 -6.607 1.00 1.03 H new ATOM 0 HG3 ARG A 88 -3.793 -5.861 -5.294 1.00 1.03 H new ATOM 0 HD2 ARG A 88 -4.939 -6.934 -7.134 1.00 1.11 H new ATOM 0 HD3 ARG A 88 -5.581 -5.313 -6.958 1.00 1.11 H new ATOM 0 HE ARG A 88 -3.386 -5.609 -8.922 1.00 1.27 H new ATOM 0 HH11 ARG A 88 -6.861 -5.415 -8.296 1.00 1.55 H new ATOM 0 HH12 ARG A 88 -7.262 -5.052 -9.977 1.00 1.55 H new ATOM 0 HH21 ARG A 88 -3.929 -5.154 -11.094 1.00 1.74 H new ATOM 0 HH22 ARG A 88 -5.619 -4.906 -11.546 1.00 1.74 H new ATOM 1378 N VAL A 89 -2.530 -1.417 -4.500 1.00 0.78 N ATOM 1379 CA VAL A 89 -2.059 -0.039 -4.506 1.00 0.79 C ATOM 1380 C VAL A 89 -0.543 -0.003 -4.634 1.00 0.92 C ATOM 1381 O VAL A 89 0.171 -0.679 -3.894 1.00 0.99 O ATOM 1382 CB VAL A 89 -2.485 0.749 -3.245 1.00 0.70 C ATOM 1383 CG1 VAL A 89 -3.982 1.012 -3.249 1.00 0.61 C ATOM 1384 CG2 VAL A 89 -2.073 0.026 -1.973 1.00 0.69 C ATOM 0 H VAL A 89 -1.992 -2.043 -3.900 1.00 0.78 H new ATOM 0 HA VAL A 89 -2.524 0.444 -5.366 1.00 0.79 H new ATOM 0 HB VAL A 89 -1.967 1.708 -3.267 1.00 0.70 H new ATOM 0 HG11 VAL A 89 -4.256 1.567 -2.352 1.00 0.61 H new ATOM 0 HG12 VAL A 89 -4.247 1.594 -4.132 1.00 0.61 H new ATOM 0 HG13 VAL A 89 -4.518 0.063 -3.266 1.00 0.61 H new ATOM 0 HG21 VAL A 89 -2.388 0.607 -1.106 1.00 0.69 H new ATOM 0 HG22 VAL A 89 -2.546 -0.956 -1.943 1.00 0.69 H new ATOM 0 HG23 VAL A 89 -0.990 -0.093 -1.957 1.00 0.69 H new ATOM 1394 N MET A 90 -0.055 0.764 -5.591 1.00 0.97 N ATOM 1395 CA MET A 90 1.373 0.878 -5.806 1.00 1.10 C ATOM 1396 C MET A 90 1.773 2.341 -5.865 1.00 1.14 C ATOM 1397 O MET A 90 1.031 3.180 -6.385 1.00 1.13 O ATOM 1398 CB MET A 90 1.802 0.151 -7.088 1.00 1.21 C ATOM 1399 CG MET A 90 1.403 0.860 -8.372 1.00 1.49 C ATOM 1400 SD MET A 90 1.774 -0.110 -9.847 1.00 1.66 S ATOM 1401 CE MET A 90 1.116 0.970 -11.115 1.00 2.09 C ATOM 0 H MET A 90 -0.627 1.316 -6.230 1.00 0.97 H new ATOM 0 HA MET A 90 1.884 0.403 -4.969 1.00 1.10 H new ATOM 0 HB2 MET A 90 2.885 0.027 -7.077 1.00 1.21 H new ATOM 0 HB3 MET A 90 1.367 -0.848 -7.088 1.00 1.21 H new ATOM 0 HG2 MET A 90 0.335 1.079 -8.345 1.00 1.49 H new ATOM 0 HG3 MET A 90 1.923 1.816 -8.431 1.00 1.49 H new ATOM 0 HE1 MET A 90 1.266 0.515 -12.094 1.00 2.09 H new ATOM 0 HE2 MET A 90 0.050 1.123 -10.945 1.00 2.09 H new ATOM 0 HE3 MET A 90 1.631 1.930 -11.078 1.00 2.09 H new ATOM 1411 N LEU A 91 2.928 2.646 -5.309 1.00 1.21 N ATOM 1412 CA LEU A 91 3.422 4.009 -5.301 1.00 1.27 C ATOM 1413 C LEU A 91 4.870 4.056 -5.761 1.00 1.41 C ATOM 1414 O LEU A 91 5.664 3.161 -5.455 1.00 1.47 O ATOM 1415 CB LEU A 91 3.236 4.680 -3.911 1.00 1.22 C ATOM 1416 CG LEU A 91 4.112 4.208 -2.721 1.00 1.27 C ATOM 1417 CD1 LEU A 91 4.159 2.693 -2.604 1.00 1.25 C ATOM 1418 CD2 LEU A 91 5.519 4.785 -2.801 1.00 1.42 C ATOM 0 H LEU A 91 3.542 1.969 -4.857 1.00 1.21 H new ATOM 0 HA LEU A 91 2.827 4.586 -6.009 1.00 1.27 H new ATOM 0 HB2 LEU A 91 3.403 5.750 -4.038 1.00 1.22 H new ATOM 0 HB3 LEU A 91 2.193 4.552 -3.622 1.00 1.22 H new ATOM 0 HG LEU A 91 3.637 4.589 -1.817 1.00 1.27 H new ATOM 0 HD11 LEU A 91 4.784 2.413 -1.756 1.00 1.25 H new ATOM 0 HD12 LEU A 91 3.150 2.308 -2.454 1.00 1.25 H new ATOM 0 HD13 LEU A 91 4.576 2.270 -3.518 1.00 1.25 H new ATOM 0 HD21 LEU A 91 6.105 4.434 -1.952 1.00 1.42 H new ATOM 0 HD22 LEU A 91 5.993 4.461 -3.728 1.00 1.42 H new ATOM 0 HD23 LEU A 91 5.468 5.874 -2.781 1.00 1.42 H new ATOM 1430 N ILE A 92 5.195 5.084 -6.520 1.00 1.50 N ATOM 1431 CA ILE A 92 6.542 5.267 -7.021 1.00 1.65 C ATOM 1432 C ILE A 92 7.158 6.493 -6.364 1.00 1.71 C ATOM 1433 O ILE A 92 6.776 7.627 -6.658 1.00 1.89 O ATOM 1434 CB ILE A 92 6.566 5.424 -8.559 1.00 1.74 C ATOM 1435 CG1 ILE A 92 5.966 4.183 -9.227 1.00 1.66 C ATOM 1436 CG2 ILE A 92 7.987 5.658 -9.048 1.00 1.96 C ATOM 1437 CD1 ILE A 92 5.992 4.227 -10.741 1.00 1.79 C ATOM 0 H ILE A 92 4.538 5.811 -6.805 1.00 1.50 H new ATOM 0 HA ILE A 92 7.122 4.378 -6.774 1.00 1.65 H new ATOM 0 HB ILE A 92 5.963 6.291 -8.830 1.00 1.74 H new ATOM 0 HG12 ILE A 92 6.511 3.302 -8.890 1.00 1.66 H new ATOM 0 HG13 ILE A 92 4.935 4.066 -8.894 1.00 1.66 H new ATOM 0 HG21 ILE A 92 7.985 5.766 -10.133 1.00 1.96 H new ATOM 0 HG22 ILE A 92 8.383 6.566 -8.593 1.00 1.96 H new ATOM 0 HG23 ILE A 92 8.612 4.810 -8.769 1.00 1.96 H new ATOM 0 HD11 ILE A 92 5.550 3.314 -11.139 1.00 1.79 H new ATOM 0 HD12 ILE A 92 5.422 5.088 -11.090 1.00 1.79 H new ATOM 0 HD13 ILE A 92 7.023 4.311 -11.085 1.00 1.79 H new ATOM 1449 N GLY A 93 8.085 6.258 -5.451 1.00 1.73 N ATOM 1450 CA GLY A 93 8.734 7.344 -4.749 1.00 1.80 C ATOM 1451 C GLY A 93 9.446 6.868 -3.504 1.00 1.84 C ATOM 1452 O GLY A 93 10.072 5.806 -3.515 1.00 1.89 O ATOM 0 H GLY A 93 8.402 5.327 -5.181 1.00 1.73 H new ATOM 0 HA2 GLY A 93 9.450 7.829 -5.413 1.00 1.80 H new ATOM 0 HA3 GLY A 93 7.992 8.095 -4.478 1.00 1.80 H new ATOM 1456 N GLU A 94 9.330 7.629 -2.428 1.00 1.88 N ATOM 1457 CA GLU A 94 9.977 7.282 -1.173 1.00 1.97 C ATOM 1458 C GLU A 94 9.058 6.430 -0.306 1.00 1.80 C ATOM 1459 O GLU A 94 7.897 6.201 -0.648 1.00 1.84 O ATOM 1460 CB GLU A 94 10.382 8.553 -0.426 1.00 2.22 C ATOM 1461 CG GLU A 94 11.866 8.630 -0.119 1.00 2.66 C ATOM 1462 CD GLU A 94 12.267 7.756 1.049 1.00 2.63 C ATOM 1463 OE1 GLU A 94 12.240 6.516 0.915 1.00 2.85 O ATOM 1464 OE2 GLU A 94 12.615 8.303 2.112 1.00 3.03 O ATOM 0 H GLU A 94 8.791 8.495 -2.399 1.00 1.88 H new ATOM 0 HA GLU A 94 10.871 6.699 -1.395 1.00 1.97 H new ATOM 0 HB2 GLU A 94 10.097 9.421 -1.021 1.00 2.22 H new ATOM 0 HB3 GLU A 94 9.823 8.609 0.508 1.00 2.22 H new ATOM 0 HG2 GLU A 94 12.431 8.331 -1.002 1.00 2.66 H new ATOM 0 HG3 GLU A 94 12.135 9.664 0.097 1.00 2.66 H new ATOM 1471 N LYS A 95 9.593 5.941 0.801 1.00 1.82 N ATOM 1472 CA LYS A 95 8.831 5.121 1.724 1.00 1.72 C ATOM 1473 C LYS A 95 9.423 5.222 3.124 1.00 1.77 C ATOM 1474 O LYS A 95 10.390 4.531 3.452 1.00 1.96 O ATOM 1475 CB LYS A 95 8.816 3.661 1.264 1.00 1.81 C ATOM 1476 CG LYS A 95 7.643 2.856 1.804 1.00 1.79 C ATOM 1477 CD LYS A 95 6.502 2.787 0.800 1.00 2.06 C ATOM 1478 CE LYS A 95 5.329 1.973 1.331 1.00 2.15 C ATOM 1479 NZ LYS A 95 5.781 0.769 2.082 1.00 2.38 N ATOM 0 H LYS A 95 10.560 6.101 1.082 1.00 1.82 H new ATOM 0 HA LYS A 95 7.804 5.487 1.744 1.00 1.72 H new ATOM 0 HB2 LYS A 95 8.792 3.634 0.175 1.00 1.81 H new ATOM 0 HB3 LYS A 95 9.745 3.183 1.574 1.00 1.81 H new ATOM 0 HG2 LYS A 95 7.975 1.847 2.048 1.00 1.79 H new ATOM 0 HG3 LYS A 95 7.287 3.307 2.730 1.00 1.79 H new ATOM 0 HD2 LYS A 95 6.166 3.796 0.562 1.00 2.06 H new ATOM 0 HD3 LYS A 95 6.861 2.343 -0.129 1.00 2.06 H new ATOM 0 HE2 LYS A 95 4.719 2.599 1.982 1.00 2.15 H new ATOM 0 HE3 LYS A 95 4.695 1.665 0.499 1.00 2.15 H new ATOM 0 HZ1 LYS A 95 4.994 0.094 2.161 1.00 2.38 H new ATOM 0 HZ2 LYS A 95 6.572 0.321 1.576 1.00 2.38 H new ATOM 0 HZ3 LYS A 95 6.093 1.050 3.033 1.00 2.38 H new ATOM 1493 N SER A 96 8.859 6.105 3.935 1.00 1.80 N ATOM 1494 CA SER A 96 9.312 6.292 5.301 1.00 1.92 C ATOM 1495 C SER A 96 8.939 5.081 6.153 1.00 1.83 C ATOM 1496 O SER A 96 7.989 4.363 5.839 1.00 1.95 O ATOM 1497 CB SER A 96 8.678 7.552 5.879 1.00 2.15 C ATOM 1498 OG SER A 96 8.481 8.518 4.862 1.00 2.38 O ATOM 0 H SER A 96 8.081 6.707 3.665 1.00 1.80 H new ATOM 0 HA SER A 96 10.397 6.398 5.306 1.00 1.92 H new ATOM 0 HB2 SER A 96 7.724 7.306 6.345 1.00 2.15 H new ATOM 0 HB3 SER A 96 9.317 7.963 6.660 1.00 2.15 H new ATOM 0 HG SER A 96 8.381 9.404 5.268 1.00 2.38 H new ATOM 1504 N ASN A 97 9.704 4.847 7.210 1.00 1.89 N ATOM 1505 CA ASN A 97 9.457 3.731 8.110 1.00 1.93 C ATOM 1506 C ASN A 97 10.276 3.909 9.375 1.00 2.29 C ATOM 1507 O ASN A 97 11.522 3.934 9.269 1.00 2.53 O ATOM 1508 CB ASN A 97 9.810 2.398 7.441 1.00 1.89 C ATOM 1509 CG ASN A 97 9.535 1.202 8.333 1.00 2.00 C ATOM 1510 OD1 ASN A 97 10.321 0.256 8.382 1.00 2.24 O ATOM 1511 ND2 ASN A 97 8.409 1.225 9.031 1.00 1.96 N ATOM 1512 OXT ASN A 97 9.677 4.040 10.463 1.00 2.61 O ATOM 0 H ASN A 97 10.507 5.421 7.466 1.00 1.89 H new ATOM 0 HA ASN A 97 8.396 3.714 8.360 1.00 1.93 H new ATOM 0 HB2 ASN A 97 9.238 2.297 6.519 1.00 1.89 H new ATOM 0 HB3 ASN A 97 10.864 2.404 7.163 1.00 1.89 H new ATOM 0 HD21 ASN A 97 8.168 0.440 9.636 1.00 1.96 H new ATOM 0 HD22 ASN A 97 7.783 2.028 8.963 1.00 1.96 H new ATOM 1609 N ARG B 189 15.076 -1.605 3.324 1.00 2.02 N ATOM 1610 CA ARG B 189 15.299 -2.004 1.935 1.00 1.77 C ATOM 1611 C ARG B 189 15.951 -0.895 1.109 1.00 1.33 C ATOM 1612 O ARG B 189 15.568 -0.646 -0.033 1.00 1.67 O ATOM 1613 CB ARG B 189 13.974 -2.435 1.302 1.00 2.37 C ATOM 1614 CG ARG B 189 13.441 -3.743 1.867 1.00 3.12 C ATOM 1615 CD ARG B 189 11.922 -3.769 1.897 1.00 3.82 C ATOM 1616 NE ARG B 189 11.411 -5.021 2.453 1.00 4.33 N ATOM 1617 CZ ARG B 189 10.242 -5.146 3.079 1.00 4.83 C ATOM 1618 NH1 ARG B 189 9.434 -4.102 3.216 1.00 4.91 N ATOM 1619 NH2 ARG B 189 9.875 -6.326 3.557 1.00 5.48 N ATOM 0 HA ARG B 189 15.993 -2.844 1.940 1.00 1.77 H new ATOM 0 HB2 ARG B 189 13.233 -1.651 1.456 1.00 2.37 H new ATOM 0 HB3 ARG B 189 14.109 -2.539 0.225 1.00 2.37 H new ATOM 0 HG2 ARG B 189 13.807 -4.575 1.265 1.00 3.12 H new ATOM 0 HG3 ARG B 189 13.827 -3.887 2.876 1.00 3.12 H new ATOM 0 HD2 ARG B 189 11.556 -2.931 2.491 1.00 3.82 H new ATOM 0 HD3 ARG B 189 11.536 -3.636 0.886 1.00 3.82 H new ATOM 0 HE ARG B 189 11.989 -5.856 2.355 1.00 4.33 H new ATOM 0 HH11 ARG B 189 9.706 -3.194 2.840 1.00 4.91 H new ATOM 0 HH12 ARG B 189 8.541 -4.208 3.697 1.00 4.91 H new ATOM 0 HH21 ARG B 189 10.487 -7.134 3.445 1.00 5.48 H new ATOM 0 HH22 ARG B 189 8.981 -6.426 4.037 1.00 5.48 H new ATOM 1633 N GLY B 190 16.950 -0.236 1.687 1.00 1.17 N ATOM 1634 CA GLY B 190 17.639 0.832 0.989 1.00 1.54 C ATOM 1635 C GLY B 190 18.707 0.306 0.050 1.00 1.70 C ATOM 1636 O GLY B 190 19.879 0.660 0.166 1.00 1.97 O ATOM 0 H GLY B 190 17.295 -0.424 2.628 1.00 1.17 H new ATOM 0 HA2 GLY B 190 16.916 1.419 0.422 1.00 1.54 H new ATOM 0 HA3 GLY B 190 18.095 1.504 1.716 1.00 1.54 H new ATOM 1640 N GLY B 191 18.304 -0.550 -0.880 1.00 1.91 N ATOM 1641 CA GLY B 191 19.245 -1.129 -1.818 1.00 2.36 C ATOM 1642 C GLY B 191 19.810 -2.429 -1.288 1.00 2.17 C ATOM 1643 O GLY B 191 20.436 -3.197 -2.021 1.00 2.71 O ATOM 0 H GLY B 191 17.338 -0.854 -1.001 1.00 1.91 H new ATOM 0 HA2 GLY B 191 18.750 -1.306 -2.773 1.00 2.36 H new ATOM 0 HA3 GLY B 191 20.056 -0.426 -2.006 1.00 2.36 H new ATOM 1647 N TYR B 192 19.567 -2.663 -0.008 1.00 1.71 N ATOM 1648 CA TYR B 192 20.021 -3.858 0.676 1.00 1.86 C ATOM 1649 C TYR B 192 19.158 -4.069 1.918 1.00 1.87 C ATOM 1650 O TYR B 192 18.188 -3.336 2.118 1.00 2.21 O ATOM 1651 CB TYR B 192 21.504 -3.733 1.052 1.00 1.91 C ATOM 1652 CG TYR B 192 22.187 -5.067 1.274 1.00 2.45 C ATOM 1653 CD1 TYR B 192 22.234 -6.021 0.266 1.00 2.95 C ATOM 1654 CD2 TYR B 192 22.781 -5.373 2.493 1.00 2.80 C ATOM 1655 CE1 TYR B 192 22.842 -7.243 0.468 1.00 3.62 C ATOM 1656 CE2 TYR B 192 23.395 -6.595 2.700 1.00 3.41 C ATOM 1657 CZ TYR B 192 23.424 -7.523 1.681 1.00 3.77 C ATOM 1658 OH TYR B 192 24.031 -8.745 1.876 1.00 4.48 O ATOM 0 H TYR B 192 19.044 -2.022 0.588 1.00 1.71 H new ATOM 0 HA TYR B 192 19.922 -4.721 0.017 1.00 1.86 H new ATOM 0 HB2 TYR B 192 22.026 -3.194 0.262 1.00 1.91 H new ATOM 0 HB3 TYR B 192 21.591 -3.134 1.958 1.00 1.91 H new ATOM 0 HD1 TYR B 192 21.787 -5.803 -0.693 1.00 2.95 H new ATOM 0 HD2 TYR B 192 22.763 -4.645 3.291 1.00 2.80 H new ATOM 0 HE1 TYR B 192 22.860 -7.977 -0.324 1.00 3.62 H new ATOM 0 HE2 TYR B 192 23.849 -6.821 3.654 1.00 3.41 H new ATOM 0 HH TYR B 192 24.395 -8.788 2.785 1.00 4.48 H new ATOM 1668 N ASP B 193 19.525 -5.055 2.740 1.00 2.08 N ATOM 1669 CA ASP B 193 18.793 -5.401 3.965 1.00 2.57 C ATOM 1670 C ASP B 193 18.295 -4.169 4.731 1.00 2.39 C ATOM 1671 O ASP B 193 17.097 -4.036 4.982 1.00 2.59 O ATOM 1672 CB ASP B 193 19.683 -6.261 4.867 1.00 3.18 C ATOM 1673 CG ASP B 193 19.153 -6.396 6.281 1.00 3.84 C ATOM 1674 OD1 ASP B 193 17.956 -6.708 6.453 1.00 4.22 O ATOM 1675 OD2 ASP B 193 19.945 -6.214 7.227 1.00 4.14 O ATOM 0 H ASP B 193 20.344 -5.641 2.575 1.00 2.08 H new ATOM 0 HA ASP B 193 17.907 -5.961 3.667 1.00 2.57 H new ATOM 0 HB2 ASP B 193 19.782 -7.254 4.428 1.00 3.18 H new ATOM 0 HB3 ASP B 193 20.682 -5.826 4.901 1.00 3.18 H new ATOM 1680 N VAL B 194 19.204 -3.275 5.094 1.00 2.39 N ATOM 1681 CA VAL B 194 18.828 -2.064 5.822 1.00 2.62 C ATOM 1682 C VAL B 194 20.003 -1.093 5.909 1.00 2.80 C ATOM 1683 O VAL B 194 19.821 0.124 5.895 1.00 3.15 O ATOM 1684 CB VAL B 194 18.297 -2.385 7.247 1.00 3.43 C ATOM 1685 CG1 VAL B 194 19.375 -3.016 8.116 1.00 3.97 C ATOM 1686 CG2 VAL B 194 17.736 -1.132 7.912 1.00 3.78 C ATOM 0 H VAL B 194 20.202 -3.361 4.900 1.00 2.39 H new ATOM 0 HA VAL B 194 18.020 -1.594 5.261 1.00 2.62 H new ATOM 0 HB VAL B 194 17.490 -3.110 7.140 1.00 3.43 H new ATOM 0 HG11 VAL B 194 18.968 -3.227 9.105 1.00 3.97 H new ATOM 0 HG12 VAL B 194 19.714 -3.945 7.658 1.00 3.97 H new ATOM 0 HG13 VAL B 194 20.216 -2.329 8.209 1.00 3.97 H new ATOM 0 HG21 VAL B 194 17.370 -1.381 8.908 1.00 3.78 H new ATOM 0 HG22 VAL B 194 18.521 -0.380 7.991 1.00 3.78 H new ATOM 0 HG23 VAL B 194 16.915 -0.738 7.312 1.00 3.78 H new ATOM 1696 N GLU B 195 21.212 -1.633 5.982 1.00 2.75 N ATOM 1697 CA GLU B 195 22.398 -0.803 6.075 1.00 3.12 C ATOM 1698 C GLU B 195 22.878 -0.357 4.695 1.00 2.88 C ATOM 1699 O GLU B 195 22.241 -0.645 3.678 1.00 2.39 O ATOM 1700 CB GLU B 195 23.508 -1.538 6.823 1.00 3.40 C ATOM 1701 CG GLU B 195 23.886 -0.863 8.134 1.00 4.16 C ATOM 1702 CD GLU B 195 24.050 0.635 7.976 1.00 4.65 C ATOM 1703 OE1 GLU B 195 24.845 1.059 7.116 1.00 4.87 O ATOM 1704 OE2 GLU B 195 23.367 1.397 8.695 1.00 5.02 O ATOM 0 H GLU B 195 21.394 -2.637 5.978 1.00 2.75 H new ATOM 0 HA GLU B 195 22.135 0.093 6.637 1.00 3.12 H new ATOM 0 HB2 GLU B 195 23.188 -2.560 7.025 1.00 3.40 H new ATOM 0 HB3 GLU B 195 24.390 -1.601 6.185 1.00 3.40 H new ATOM 0 HG2 GLU B 195 23.119 -1.067 8.881 1.00 4.16 H new ATOM 0 HG3 GLU B 195 24.816 -1.292 8.507 1.00 4.16 H new ATOM 1711 N ASN B 196 23.989 0.369 4.676 1.00 3.43 N ATOM 1712 CA ASN B 196 24.562 0.882 3.440 1.00 3.64 C ATOM 1713 C ASN B 196 25.083 -0.241 2.560 1.00 3.41 C ATOM 1714 O ASN B 196 24.721 -0.319 1.386 1.00 3.56 O ATOM 1715 CB ASN B 196 25.693 1.869 3.745 1.00 4.47 C ATOM 1716 CG ASN B 196 25.865 2.928 2.667 1.00 4.94 C ATOM 1717 OD1 ASN B 196 26.115 4.093 2.971 1.00 5.26 O ATOM 1718 ND2 ASN B 196 25.754 2.539 1.406 1.00 5.14 N ATOM 0 H ASN B 196 24.515 0.617 5.514 1.00 3.43 H new ATOM 0 HA ASN B 196 23.769 1.398 2.899 1.00 3.64 H new ATOM 0 HB2 ASN B 196 25.494 2.358 4.698 1.00 4.47 H new ATOM 0 HB3 ASN B 196 26.627 1.319 3.858 1.00 4.47 H new ATOM 0 HD21 ASN B 196 25.877 3.214 0.651 1.00 5.14 H new ATOM 0 HD22 ASN B 196 25.546 1.564 1.189 1.00 5.14 H new ATOM 1725 N GLU B 197 25.936 -1.093 3.137 1.00 3.29 N ATOM 1726 CA GLU B 197 26.538 -2.225 2.422 1.00 3.26 C ATOM 1727 C GLU B 197 27.532 -1.740 1.362 1.00 3.82 C ATOM 1728 O GLU B 197 27.367 -0.668 0.772 1.00 4.30 O ATOM 1729 CB GLU B 197 25.452 -3.132 1.806 1.00 2.93 C ATOM 1730 CG GLU B 197 25.436 -3.176 0.282 1.00 3.10 C ATOM 1731 CD GLU B 197 25.506 -4.586 -0.264 1.00 3.38 C ATOM 1732 OE1 GLU B 197 25.996 -5.482 0.454 1.00 3.60 O ATOM 1733 OE2 GLU B 197 25.092 -4.795 -1.425 1.00 3.83 O ATOM 0 H GLU B 197 26.229 -1.019 4.111 1.00 3.29 H new ATOM 0 HA GLU B 197 27.094 -2.823 3.144 1.00 3.26 H new ATOM 0 HB2 GLU B 197 25.591 -4.146 2.182 1.00 2.93 H new ATOM 0 HB3 GLU B 197 24.476 -2.793 2.155 1.00 2.93 H new ATOM 0 HG2 GLU B 197 24.528 -2.695 -0.081 1.00 3.10 H new ATOM 0 HG3 GLU B 197 26.278 -2.600 -0.103 1.00 3.10 H new ATOM 1740 N GLU B 198 28.576 -2.523 1.136 1.00 3.91 N ATOM 1741 CA GLU B 198 29.591 -2.156 0.156 1.00 4.52 C ATOM 1742 C GLU B 198 29.798 -3.251 -0.884 1.00 4.64 C ATOM 1743 O GLU B 198 30.736 -3.189 -1.678 1.00 5.16 O ATOM 1744 CB GLU B 198 30.912 -1.820 0.847 1.00 4.90 C ATOM 1745 CG GLU B 198 30.910 -0.448 1.500 1.00 5.36 C ATOM 1746 CD GLU B 198 32.252 -0.073 2.093 1.00 5.99 C ATOM 1747 OE1 GLU B 198 33.163 0.296 1.328 1.00 6.25 O ATOM 1748 OE2 GLU B 198 32.395 -0.136 3.331 1.00 6.45 O ATOM 0 H GLU B 198 28.743 -3.409 1.612 1.00 3.91 H new ATOM 0 HA GLU B 198 29.232 -1.269 -0.366 1.00 4.52 H new ATOM 0 HB2 GLU B 198 31.122 -2.576 1.604 1.00 4.90 H new ATOM 0 HB3 GLU B 198 31.720 -1.867 0.117 1.00 4.90 H new ATOM 0 HG2 GLU B 198 30.624 0.300 0.760 1.00 5.36 H new ATOM 0 HG3 GLU B 198 30.153 -0.426 2.284 1.00 5.36 H new ATOM 1755 N LYS B 199 28.939 -4.262 -0.873 1.00 4.32 N ATOM 1756 CA LYS B 199 29.034 -5.341 -1.848 1.00 4.64 C ATOM 1757 C LYS B 199 28.442 -4.875 -3.171 1.00 4.89 C ATOM 1758 O LYS B 199 29.113 -4.895 -4.202 1.00 5.53 O ATOM 1759 CB LYS B 199 28.307 -6.588 -1.351 1.00 4.38 C ATOM 1760 CG LYS B 199 29.218 -7.793 -1.176 1.00 4.54 C ATOM 1761 CD LYS B 199 28.503 -8.954 -0.501 1.00 4.53 C ATOM 1762 CE LYS B 199 28.370 -8.734 0.999 1.00 4.41 C ATOM 1763 NZ LYS B 199 29.693 -8.604 1.667 1.00 4.56 N ATOM 0 H LYS B 199 28.174 -4.358 -0.205 1.00 4.32 H new ATOM 0 HA LYS B 199 30.083 -5.600 -1.990 1.00 4.64 H new ATOM 0 HB2 LYS B 199 27.828 -6.364 -0.398 1.00 4.38 H new ATOM 0 HB3 LYS B 199 27.514 -6.841 -2.055 1.00 4.38 H new ATOM 0 HG2 LYS B 199 29.588 -8.112 -2.150 1.00 4.54 H new ATOM 0 HG3 LYS B 199 30.087 -7.508 -0.583 1.00 4.54 H new ATOM 0 HD2 LYS B 199 27.513 -9.077 -0.940 1.00 4.53 H new ATOM 0 HD3 LYS B 199 29.052 -9.877 -0.687 1.00 4.53 H new ATOM 0 HE2 LYS B 199 27.782 -7.834 1.182 1.00 4.41 H new ATOM 0 HE3 LYS B 199 27.823 -9.567 1.440 1.00 4.41 H new ATOM 0 HZ1 LYS B 199 29.595 -8.827 2.678 1.00 4.56 H new ATOM 0 HZ2 LYS B 199 30.369 -9.263 1.231 1.00 4.56 H new ATOM 0 HZ3 LYS B 199 30.042 -7.630 1.560 1.00 4.56 H new ATOM 1777 N VAL B 200 27.181 -4.448 -3.117 1.00 4.46 N ATOM 1778 CA VAL B 200 26.464 -3.934 -4.282 1.00 4.74 C ATOM 1779 C VAL B 200 26.430 -4.967 -5.408 1.00 5.32 C ATOM 1780 O VAL B 200 26.823 -4.691 -6.542 1.00 5.99 O ATOM 1781 CB VAL B 200 27.083 -2.611 -4.795 1.00 5.22 C ATOM 1782 CG1 VAL B 200 26.126 -1.886 -5.724 1.00 5.43 C ATOM 1783 CG2 VAL B 200 27.463 -1.704 -3.634 1.00 4.96 C ATOM 0 H VAL B 200 26.627 -4.449 -2.261 1.00 4.46 H new ATOM 0 HA VAL B 200 25.442 -3.730 -3.963 1.00 4.74 H new ATOM 0 HB VAL B 200 27.985 -2.864 -5.352 1.00 5.22 H new ATOM 0 HG11 VAL B 200 26.586 -0.960 -6.070 1.00 5.43 H new ATOM 0 HG12 VAL B 200 25.900 -2.521 -6.581 1.00 5.43 H new ATOM 0 HG13 VAL B 200 25.204 -1.656 -5.190 1.00 5.43 H new ATOM 0 HG21 VAL B 200 27.896 -0.781 -4.020 1.00 4.96 H new ATOM 0 HG22 VAL B 200 26.574 -1.471 -3.048 1.00 4.96 H new ATOM 0 HG23 VAL B 200 28.192 -2.210 -3.001 1.00 4.96 H new ATOM 1793 N LYS B 201 25.980 -6.169 -5.077 1.00 5.18 N ATOM 1794 CA LYS B 201 25.889 -7.242 -6.058 1.00 5.84 C ATOM 1795 C LYS B 201 24.717 -8.164 -5.743 1.00 5.78 C ATOM 1796 O LYS B 201 24.574 -9.227 -6.342 1.00 6.37 O ATOM 1797 CB LYS B 201 27.199 -8.041 -6.100 1.00 6.17 C ATOM 1798 CG LYS B 201 27.525 -8.767 -4.804 1.00 5.81 C ATOM 1799 CD LYS B 201 28.982 -9.195 -4.755 1.00 6.12 C ATOM 1800 CE LYS B 201 29.278 -10.331 -5.724 1.00 6.82 C ATOM 1801 NZ LYS B 201 28.820 -11.646 -5.203 1.00 7.02 N ATOM 0 H LYS B 201 25.673 -6.426 -4.139 1.00 5.18 H new ATOM 0 HA LYS B 201 25.720 -6.795 -7.038 1.00 5.84 H new ATOM 0 HB2 LYS B 201 27.142 -8.770 -6.908 1.00 6.17 H new ATOM 0 HB3 LYS B 201 28.018 -7.363 -6.340 1.00 6.17 H new ATOM 0 HG2 LYS B 201 27.307 -8.116 -3.957 1.00 5.81 H new ATOM 0 HG3 LYS B 201 26.884 -9.643 -4.706 1.00 5.81 H new ATOM 0 HD2 LYS B 201 29.618 -8.342 -4.992 1.00 6.12 H new ATOM 0 HD3 LYS B 201 29.233 -9.509 -3.742 1.00 6.12 H new ATOM 0 HE2 LYS B 201 28.790 -10.130 -6.678 1.00 6.82 H new ATOM 0 HE3 LYS B 201 30.350 -10.372 -5.917 1.00 6.82 H new ATOM 0 HZ1 LYS B 201 29.042 -12.390 -5.895 1.00 7.02 H new ATOM 0 HZ2 LYS B 201 29.304 -11.852 -4.306 1.00 7.02 H new ATOM 0 HZ3 LYS B 201 27.793 -11.617 -5.043 1.00 7.02 H new ATOM 1815 N LEU B 202 23.875 -7.746 -4.806 1.00 5.18 N ATOM 1816 CA LEU B 202 22.719 -8.535 -4.409 1.00 5.23 C ATOM 1817 C LEU B 202 21.450 -7.703 -4.512 1.00 4.95 C ATOM 1818 O LEU B 202 21.329 -6.652 -3.881 1.00 4.37 O ATOM 1819 CB LEU B 202 22.891 -9.053 -2.977 1.00 4.91 C ATOM 1820 CG LEU B 202 24.083 -9.992 -2.757 1.00 5.32 C ATOM 1821 CD1 LEU B 202 24.218 -10.347 -1.285 1.00 5.10 C ATOM 1822 CD2 LEU B 202 23.936 -11.253 -3.597 1.00 6.12 C ATOM 0 H LEU B 202 23.973 -6.862 -4.306 1.00 5.18 H new ATOM 0 HA LEU B 202 22.637 -9.388 -5.083 1.00 5.23 H new ATOM 0 HB2 LEU B 202 22.996 -8.198 -2.309 1.00 4.91 H new ATOM 0 HB3 LEU B 202 21.980 -9.575 -2.686 1.00 4.91 H new ATOM 0 HG LEU B 202 24.989 -9.474 -3.072 1.00 5.32 H new ATOM 0 HD11 LEU B 202 25.069 -11.014 -1.148 1.00 5.10 H new ATOM 0 HD12 LEU B 202 24.373 -9.438 -0.704 1.00 5.10 H new ATOM 0 HD13 LEU B 202 23.309 -10.844 -0.946 1.00 5.10 H new ATOM 0 HD21 LEU B 202 24.792 -11.906 -3.426 1.00 6.12 H new ATOM 0 HD22 LEU B 202 23.021 -11.773 -3.315 1.00 6.12 H new ATOM 0 HD23 LEU B 202 23.890 -10.984 -4.652 1.00 6.12 H new ATOM 1834 N GLY B 203 20.510 -8.171 -5.315 1.00 5.44 N ATOM 1835 CA GLY B 203 19.262 -7.454 -5.488 1.00 5.30 C ATOM 1836 C GLY B 203 18.115 -8.086 -4.729 1.00 5.32 C ATOM 1837 O GLY B 203 16.996 -7.569 -4.742 1.00 5.33 O ATOM 0 H GLY B 203 20.587 -9.035 -5.852 1.00 5.44 H new ATOM 0 HA2 GLY B 203 19.390 -6.424 -5.154 1.00 5.30 H new ATOM 0 HA3 GLY B 203 19.013 -7.416 -6.549 1.00 5.30 H new ATOM 1841 N MET B 204 18.399 -9.193 -4.048 1.00 5.45 N ATOM 1842 CA MET B 204 17.388 -9.914 -3.275 1.00 5.69 C ATOM 1843 C MET B 204 16.752 -9.025 -2.206 1.00 5.11 C ATOM 1844 O MET B 204 15.583 -9.197 -1.863 1.00 5.36 O ATOM 1845 CB MET B 204 17.997 -11.164 -2.621 1.00 6.02 C ATOM 1846 CG MET B 204 19.051 -10.861 -1.565 1.00 5.50 C ATOM 1847 SD MET B 204 19.714 -12.346 -0.784 1.00 6.01 S ATOM 1848 CE MET B 204 20.519 -13.137 -2.178 1.00 6.67 C ATOM 0 H MET B 204 19.328 -9.614 -4.015 1.00 5.45 H new ATOM 0 HA MET B 204 16.605 -10.218 -3.970 1.00 5.69 H new ATOM 0 HB2 MET B 204 17.198 -11.748 -2.164 1.00 6.02 H new ATOM 0 HB3 MET B 204 18.443 -11.786 -3.397 1.00 6.02 H new ATOM 0 HG2 MET B 204 19.867 -10.303 -2.024 1.00 5.50 H new ATOM 0 HG3 MET B 204 18.616 -10.218 -0.800 1.00 5.50 H new ATOM 0 HE1 MET B 204 21.413 -13.658 -1.835 1.00 6.67 H new ATOM 0 HE2 MET B 204 19.835 -13.853 -2.635 1.00 6.67 H new ATOM 0 HE3 MET B 204 20.799 -12.382 -2.913 1.00 6.67 H new ATOM 1858 N THR B 205 17.518 -8.077 -1.686 1.00 4.40 N ATOM 1859 CA THR B 205 17.020 -7.179 -0.662 1.00 3.86 C ATOM 1860 C THR B 205 17.102 -5.723 -1.119 1.00 3.22 C ATOM 1861 O THR B 205 17.075 -4.805 -0.305 1.00 2.61 O ATOM 1862 CB THR B 205 17.823 -7.354 0.640 1.00 3.67 C ATOM 1863 OG1 THR B 205 19.159 -7.782 0.328 1.00 3.95 O ATOM 1864 CG2 THR B 205 17.161 -8.374 1.554 1.00 4.16 C ATOM 0 H THR B 205 18.487 -7.912 -1.959 1.00 4.40 H new ATOM 0 HA THR B 205 15.975 -7.429 -0.480 1.00 3.86 H new ATOM 0 HB THR B 205 17.853 -6.395 1.158 1.00 3.67 H new ATOM 0 HG1 THR B 205 19.778 -7.031 0.442 1.00 3.95 H new ATOM 0 HG21 THR B 205 17.747 -8.479 2.467 1.00 4.16 H new ATOM 0 HG22 THR B 205 16.155 -8.038 1.806 1.00 4.16 H new ATOM 0 HG23 THR B 205 17.105 -9.336 1.045 1.00 4.16 H new ATOM 1872 N ASN B 206 17.183 -5.515 -2.431 1.00 3.55 N ATOM 1873 CA ASN B 206 17.278 -4.161 -2.983 1.00 3.31 C ATOM 1874 C ASN B 206 15.985 -3.387 -2.753 1.00 3.04 C ATOM 1875 O ASN B 206 15.998 -2.170 -2.569 1.00 2.62 O ATOM 1876 CB ASN B 206 17.604 -4.205 -4.478 1.00 4.07 C ATOM 1877 CG ASN B 206 17.788 -2.822 -5.083 1.00 4.18 C ATOM 1878 OD1 ASN B 206 16.856 -2.242 -5.643 1.00 4.40 O ATOM 1879 ND2 ASN B 206 18.994 -2.284 -4.977 1.00 4.21 N ATOM 0 H ASN B 206 17.185 -6.259 -3.129 1.00 3.55 H new ATOM 0 HA ASN B 206 18.087 -3.647 -2.464 1.00 3.31 H new ATOM 0 HB2 ASN B 206 18.513 -4.787 -4.630 1.00 4.07 H new ATOM 0 HB3 ASN B 206 16.803 -4.723 -5.005 1.00 4.07 H new ATOM 0 HD21 ASN B 206 19.176 -1.359 -5.366 1.00 4.21 H new ATOM 0 HD22 ASN B 206 19.741 -2.795 -4.506 1.00 4.21 H new ATOM 1886 N SER B 207 14.872 -4.101 -2.774 1.00 3.47 N ATOM 1887 CA SER B 207 13.568 -3.491 -2.561 1.00 3.42 C ATOM 1888 C SER B 207 12.589 -4.506 -1.983 1.00 3.82 C ATOM 1889 O SER B 207 11.380 -4.368 -2.136 1.00 4.01 O ATOM 1890 CB SER B 207 13.021 -2.919 -3.871 1.00 3.85 C ATOM 1891 OG SER B 207 13.873 -1.907 -4.386 1.00 3.99 O ATOM 0 H SER B 207 14.844 -5.108 -2.937 1.00 3.47 H new ATOM 0 HA SER B 207 13.687 -2.676 -1.847 1.00 3.42 H new ATOM 0 HB2 SER B 207 12.917 -3.719 -4.605 1.00 3.85 H new ATOM 0 HB3 SER B 207 12.025 -2.509 -3.704 1.00 3.85 H new ATOM 0 HG SER B 207 13.500 -1.561 -5.224 1.00 3.99 H new ATOM 1897 N HIS B 208 13.117 -5.519 -1.309 1.00 4.12 N ATOM 1898 CA HIS B 208 12.289 -6.552 -0.707 1.00 4.71 C ATOM 1899 C HIS B 208 12.954 -7.056 0.564 1.00 4.82 C ATOM 1900 O HIS B 208 12.236 -7.519 1.472 1.00 5.20 O ATOM 1901 CB HIS B 208 12.066 -7.715 -1.679 1.00 5.42 C ATOM 1902 CG HIS B 208 10.883 -8.570 -1.333 1.00 6.08 C ATOM 1903 ND1 HIS B 208 10.643 -9.052 -0.066 1.00 6.30 N ATOM 1904 CD2 HIS B 208 9.865 -9.023 -2.100 1.00 6.75 C ATOM 1905 CE1 HIS B 208 9.534 -9.763 -0.067 1.00 6.95 C ATOM 1906 NE2 HIS B 208 9.042 -9.758 -1.291 1.00 7.22 N ATOM 1907 OXT HIS B 208 14.187 -6.959 0.656 1.00 4.71 O ATOM 0 H HIS B 208 14.119 -5.646 -1.166 1.00 4.12 H new ATOM 0 HA HIS B 208 11.316 -6.122 -0.467 1.00 4.71 H new ATOM 0 HB2 HIS B 208 11.934 -7.316 -2.685 1.00 5.42 H new ATOM 0 HB3 HIS B 208 12.960 -8.338 -1.698 1.00 5.42 H new ATOM 0 HD1 HIS B 208 11.233 -8.884 0.749 1.00 6.30 H new ATOM 0 HD2 HIS B 208 9.727 -8.839 -3.155 1.00 6.75 H new ATOM 0 HE1 HIS B 208 9.102 -10.264 0.787 1.00 6.95 H new