USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 809 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 CYS SG : rot 135:sc= 0.0244 USER MOD Set 1.2: A 78 GLN : amide:sc= -2.62 K(o=-2.6,f=-8.7!) USER MOD Set 2.1: A 32 CYS SG : rot 160:sc= 0.021 USER MOD Set 2.2: A 35 CYS SG : rot 69:sc= -0.261 USER MOD Set 3.1: A 30 THR OG1 : rot -48:sc= -0.155 USER MOD Set 3.2: A 39 LYS NZ :NH3+ -108:sc= -0.916 (180deg=-3.52!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -125:sc= -0.158 (180deg=-0.935) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot -97:sc= 0.0995 USER MOD Single : A 8 LYS NZ :NH3+ 161:sc= 0.754 (180deg=0.234) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -2.2! C(o=-2.2!,f=-2.4!) USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0477) USER MOD Single : A 28 SER OG : rot 170:sc= -0.0796 USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= -1.21 (180deg=-1.34) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -0.808 K(o=-0.81,f=-6.2!) USER MOD Single : A 44 SER OG : rot 26:sc= -1.09! USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.133 USER MOD Single : A 63 GLN : amide:sc= -2.41! C(o=-2.4!,f=-6.4!) USER MOD Single : A 67 SER OG : rot 86:sc= 1.2 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 96:sc= 1.13 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 149:sc= -0.0674 (180deg=-0.826) USER MOD Single : A 84 GLN : amide:sc= -0.725 K(o=-0.72,f=-0.014) USER MOD Single : A 85 LYS NZ :NH3+ -130:sc= -1.78 (180deg=-4.27!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -10.2! K(o=-10!,f=-2.1) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 154:sc= 0.0319 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 84:sc= 0.0564 USER MOD Single : A 102 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.090 -2.472 7.897 1.00 1.68 N ATOM 2 CA MET A 1 -6.242 -2.028 9.044 1.00 1.04 C ATOM 3 C MET A 1 -4.823 -1.734 8.545 1.00 0.63 C ATOM 4 O MET A 1 -4.073 -2.636 8.229 1.00 0.64 O ATOM 5 CB MET A 1 -6.183 -3.112 10.122 1.00 1.37 C ATOM 6 CG MET A 1 -6.438 -2.475 11.490 1.00 0.58 C ATOM 7 SD MET A 1 -5.408 -1.061 11.957 1.00 2.05 S ATOM 8 CE MET A 1 -5.422 -1.351 13.744 1.00 2.19 C ATOM 0 H1 MET A 1 -8.053 -2.672 8.234 1.00 1.68 H new ATOM 0 H2 MET A 1 -7.124 -1.721 7.179 1.00 1.68 H new ATOM 0 H3 MET A 1 -6.684 -3.333 7.478 1.00 1.68 H new ATOM 0 HA MET A 1 -6.681 -1.128 9.474 1.00 1.04 H new ATOM 0 HB2 MET A 1 -6.928 -3.882 9.921 1.00 1.37 H new ATOM 0 HB3 MET A 1 -5.209 -3.600 10.111 1.00 1.37 H new ATOM 0 HG2 MET A 1 -7.480 -2.158 11.525 1.00 0.58 H new ATOM 0 HG3 MET A 1 -6.314 -3.247 12.249 1.00 0.58 H new ATOM 0 HE1 MET A 1 -4.835 -0.580 14.242 1.00 2.19 H new ATOM 0 HE2 MET A 1 -6.448 -1.319 14.110 1.00 2.19 H new ATOM 0 HE3 MET A 1 -4.991 -2.329 13.957 1.00 2.19 H new ATOM 20 N VAL A 2 -4.490 -0.475 8.486 1.00 0.48 N ATOM 21 CA VAL A 2 -3.124 -0.097 8.011 1.00 0.25 C ATOM 22 C VAL A 2 -2.057 -0.779 8.878 1.00 0.50 C ATOM 23 O VAL A 2 -2.155 -0.793 10.090 1.00 0.65 O ATOM 24 CB VAL A 2 -2.967 1.419 8.104 1.00 0.58 C ATOM 25 CG1 VAL A 2 -1.570 1.809 7.624 1.00 0.73 C ATOM 26 CG2 VAL A 2 -4.009 2.091 7.208 1.00 0.73 C ATOM 0 H VAL A 2 -5.096 0.304 8.743 1.00 0.48 H new ATOM 0 HA VAL A 2 -2.997 -0.421 6.978 1.00 0.25 H new ATOM 0 HB VAL A 2 -3.107 1.739 9.136 1.00 0.58 H new ATOM 0 HG11 VAL A 2 -1.452 2.891 7.688 1.00 0.73 H new ATOM 0 HG12 VAL A 2 -0.821 1.325 8.251 1.00 0.73 H new ATOM 0 HG13 VAL A 2 -1.438 1.490 6.590 1.00 0.73 H new ATOM 0 HG21 VAL A 2 -3.900 3.174 7.272 1.00 0.73 H new ATOM 0 HG22 VAL A 2 -3.862 1.772 6.176 1.00 0.73 H new ATOM 0 HG23 VAL A 2 -5.009 1.807 7.537 1.00 0.73 H new ATOM 36 N LYS A 3 -1.057 -1.328 8.240 1.00 0.71 N ATOM 37 CA LYS A 3 0.021 -2.014 9.018 1.00 1.11 C ATOM 38 C LYS A 3 1.377 -1.823 8.325 1.00 1.01 C ATOM 39 O LYS A 3 1.517 -0.993 7.449 1.00 1.51 O ATOM 40 CB LYS A 3 -0.305 -3.512 9.107 1.00 1.36 C ATOM 41 CG LYS A 3 0.243 -4.100 10.421 1.00 1.92 C ATOM 42 CD LYS A 3 0.773 -5.513 10.157 1.00 1.92 C ATOM 43 CE LYS A 3 -0.358 -6.381 9.604 1.00 0.91 C ATOM 44 NZ LYS A 3 -0.157 -6.632 8.150 1.00 2.05 N ATOM 0 H LYS A 3 -0.939 -1.333 7.227 1.00 0.71 H new ATOM 0 HA LYS A 3 0.075 -1.584 10.018 1.00 1.11 H new ATOM 0 HB2 LYS A 3 -1.384 -3.660 9.056 1.00 1.36 H new ATOM 0 HB3 LYS A 3 0.129 -4.037 8.256 1.00 1.36 H new ATOM 0 HG2 LYS A 3 1.039 -3.467 10.813 1.00 1.92 H new ATOM 0 HG3 LYS A 3 -0.542 -4.128 11.176 1.00 1.92 H new ATOM 0 HD2 LYS A 3 1.600 -5.477 9.448 1.00 1.92 H new ATOM 0 HD3 LYS A 3 1.162 -5.946 11.078 1.00 1.92 H new ATOM 0 HE2 LYS A 3 -0.394 -7.329 10.141 1.00 0.91 H new ATOM 0 HE3 LYS A 3 -1.316 -5.887 9.765 1.00 0.91 H new ATOM 0 HZ1 LYS A 3 -1.005 -6.335 7.626 1.00 2.05 H new ATOM 0 HZ2 LYS A 3 0.665 -6.090 7.815 1.00 2.05 H new ATOM 0 HZ3 LYS A 3 0.010 -7.646 7.993 1.00 2.05 H new ATOM 58 N GLN A 4 2.344 -2.602 8.736 1.00 0.46 N ATOM 59 CA GLN A 4 3.703 -2.489 8.120 1.00 0.40 C ATOM 60 C GLN A 4 4.288 -3.885 7.876 1.00 0.30 C ATOM 61 O GLN A 4 4.140 -4.775 8.691 1.00 0.33 O ATOM 62 CB GLN A 4 4.618 -1.711 9.070 1.00 0.59 C ATOM 63 CG GLN A 4 5.982 -1.506 8.403 1.00 0.62 C ATOM 64 CD GLN A 4 6.879 -0.683 9.331 1.00 0.72 C ATOM 65 OE1 GLN A 4 7.452 -1.194 10.273 1.00 1.39 O ATOM 66 NE2 GLN A 4 7.028 0.594 9.101 1.00 1.24 N ATOM 0 H GLN A 4 2.254 -3.308 9.467 1.00 0.46 H new ATOM 0 HA GLN A 4 3.626 -1.967 7.166 1.00 0.40 H new ATOM 0 HB2 GLN A 4 4.172 -0.747 9.316 1.00 0.59 H new ATOM 0 HB3 GLN A 4 4.736 -2.255 10.007 1.00 0.59 H new ATOM 0 HG2 GLN A 4 6.445 -2.470 8.191 1.00 0.62 H new ATOM 0 HG3 GLN A 4 5.860 -0.994 7.448 1.00 0.62 H new ATOM 0 HE21 GLN A 4 6.550 1.029 8.312 1.00 1.24 H new ATOM 0 HE22 GLN A 4 7.622 1.156 9.710 1.00 1.24 H new ATOM 75 N ILE A 5 4.943 -4.046 6.758 1.00 0.22 N ATOM 76 CA ILE A 5 5.545 -5.377 6.443 1.00 0.14 C ATOM 77 C ILE A 5 7.006 -5.413 6.917 1.00 0.17 C ATOM 78 O ILE A 5 7.473 -4.494 7.561 1.00 0.19 O ATOM 79 CB ILE A 5 5.482 -5.597 4.925 1.00 0.14 C ATOM 80 CG1 ILE A 5 4.057 -5.280 4.427 1.00 0.10 C ATOM 81 CG2 ILE A 5 5.852 -7.057 4.580 1.00 0.20 C ATOM 82 CD1 ILE A 5 3.030 -6.099 5.220 1.00 0.22 C ATOM 0 H ILE A 5 5.087 -3.322 6.054 1.00 0.22 H new ATOM 0 HA ILE A 5 4.993 -6.165 6.954 1.00 0.14 H new ATOM 0 HB ILE A 5 6.196 -4.936 4.434 1.00 0.14 H new ATOM 0 HG12 ILE A 5 3.852 -4.216 4.541 1.00 0.10 H new ATOM 0 HG13 ILE A 5 3.975 -5.509 3.364 1.00 0.10 H new ATOM 0 HG21 ILE A 5 5.803 -7.199 3.500 1.00 0.20 H new ATOM 0 HG22 ILE A 5 6.863 -7.268 4.929 1.00 0.20 H new ATOM 0 HG23 ILE A 5 5.151 -7.735 5.067 1.00 0.20 H new ATOM 0 HD11 ILE A 5 2.027 -5.869 4.862 1.00 0.22 H new ATOM 0 HD12 ILE A 5 3.229 -7.162 5.084 1.00 0.22 H new ATOM 0 HD13 ILE A 5 3.104 -5.849 6.278 1.00 0.22 H new ATOM 94 N GLU A 6 7.699 -6.473 6.588 1.00 0.24 N ATOM 95 CA GLU A 6 9.125 -6.577 7.022 1.00 0.28 C ATOM 96 C GLU A 6 9.919 -7.467 6.057 1.00 0.27 C ATOM 97 O GLU A 6 11.075 -7.209 5.784 1.00 0.40 O ATOM 98 CB GLU A 6 9.173 -7.182 8.425 1.00 0.25 C ATOM 99 CG GLU A 6 8.069 -8.234 8.554 1.00 1.07 C ATOM 100 CD GLU A 6 8.465 -9.254 9.622 1.00 1.49 C ATOM 101 OE1 GLU A 6 9.236 -10.133 9.272 1.00 2.44 O ATOM 102 OE2 GLU A 6 7.974 -9.098 10.727 1.00 1.45 O ATOM 0 H GLU A 6 7.346 -7.261 6.045 1.00 0.24 H new ATOM 0 HA GLU A 6 9.570 -5.582 7.024 1.00 0.28 H new ATOM 0 HB2 GLU A 6 10.148 -7.635 8.606 1.00 0.25 H new ATOM 0 HB3 GLU A 6 9.040 -6.403 9.175 1.00 0.25 H new ATOM 0 HG2 GLU A 6 7.126 -7.757 8.822 1.00 1.07 H new ATOM 0 HG3 GLU A 6 7.913 -8.733 7.598 1.00 1.07 H new ATOM 109 N SER A 7 9.282 -8.496 5.564 1.00 0.20 N ATOM 110 CA SER A 7 9.992 -9.412 4.620 1.00 0.29 C ATOM 111 C SER A 7 9.032 -9.917 3.537 1.00 0.26 C ATOM 112 O SER A 7 7.859 -9.597 3.544 1.00 0.23 O ATOM 113 CB SER A 7 10.546 -10.601 5.404 1.00 0.34 C ATOM 114 OG SER A 7 9.465 -11.007 6.231 1.00 0.31 O ATOM 0 H SER A 7 8.313 -8.741 5.770 1.00 0.20 H new ATOM 0 HA SER A 7 10.804 -8.868 4.138 1.00 0.29 H new ATOM 0 HB2 SER A 7 10.862 -11.404 4.739 1.00 0.34 H new ATOM 0 HB3 SER A 7 11.416 -10.317 5.996 1.00 0.34 H new ATOM 0 HG SER A 7 9.574 -10.621 7.125 1.00 0.31 H new ATOM 120 N LYS A 8 9.554 -10.695 2.627 1.00 0.29 N ATOM 121 CA LYS A 8 8.690 -11.232 1.534 1.00 0.29 C ATOM 122 C LYS A 8 7.747 -12.303 2.079 1.00 0.29 C ATOM 123 O LYS A 8 6.560 -12.283 1.818 1.00 0.26 O ATOM 124 CB LYS A 8 9.576 -11.839 0.446 1.00 0.34 C ATOM 125 CG LYS A 8 8.703 -12.275 -0.732 1.00 0.31 C ATOM 126 CD LYS A 8 8.883 -13.777 -0.962 1.00 1.27 C ATOM 127 CE LYS A 8 8.087 -14.196 -2.199 1.00 1.63 C ATOM 128 NZ LYS A 8 8.698 -13.621 -3.430 1.00 1.60 N ATOM 0 H LYS A 8 10.533 -10.981 2.592 1.00 0.29 H new ATOM 0 HA LYS A 8 8.095 -10.419 1.119 1.00 0.29 H new ATOM 0 HB2 LYS A 8 10.316 -11.110 0.115 1.00 0.34 H new ATOM 0 HB3 LYS A 8 10.125 -12.693 0.842 1.00 0.34 H new ATOM 0 HG2 LYS A 8 7.656 -12.049 -0.528 1.00 0.31 H new ATOM 0 HG3 LYS A 8 8.979 -11.722 -1.630 1.00 0.31 H new ATOM 0 HD2 LYS A 8 9.939 -14.012 -1.097 1.00 1.27 H new ATOM 0 HD3 LYS A 8 8.542 -14.334 -0.089 1.00 1.27 H new ATOM 0 HE2 LYS A 8 8.062 -15.283 -2.272 1.00 1.63 H new ATOM 0 HE3 LYS A 8 7.055 -13.859 -2.106 1.00 1.63 H new ATOM 0 HZ1 LYS A 8 8.367 -14.151 -4.262 1.00 1.60 H new ATOM 0 HZ2 LYS A 8 8.420 -12.623 -3.522 1.00 1.60 H new ATOM 0 HZ3 LYS A 8 9.734 -13.687 -3.367 1.00 1.60 H new ATOM 142 N THR A 9 8.296 -13.211 2.823 1.00 0.34 N ATOM 143 CA THR A 9 7.451 -14.294 3.398 1.00 0.34 C ATOM 144 C THR A 9 6.217 -13.687 4.050 1.00 0.28 C ATOM 145 O THR A 9 5.143 -14.253 4.019 1.00 0.28 O ATOM 146 CB THR A 9 8.262 -15.066 4.443 1.00 0.39 C ATOM 147 OG1 THR A 9 9.398 -15.553 3.733 1.00 0.36 O ATOM 148 CG2 THR A 9 7.523 -16.313 4.922 1.00 0.43 C ATOM 0 H THR A 9 9.287 -13.255 3.060 1.00 0.34 H new ATOM 0 HA THR A 9 7.138 -14.974 2.606 1.00 0.34 H new ATOM 0 HB THR A 9 8.475 -14.422 5.296 1.00 0.39 H new ATOM 0 HG1 THR A 9 9.972 -16.062 4.343 1.00 0.36 H new ATOM 0 HG21 THR A 9 8.130 -16.834 5.662 1.00 0.43 H new ATOM 0 HG22 THR A 9 6.573 -16.023 5.371 1.00 0.43 H new ATOM 0 HG23 THR A 9 7.337 -16.974 4.075 1.00 0.43 H new ATOM 156 N ALA A 10 6.404 -12.543 4.627 1.00 0.24 N ATOM 157 CA ALA A 10 5.267 -11.858 5.288 1.00 0.18 C ATOM 158 C ALA A 10 4.341 -11.254 4.232 1.00 0.15 C ATOM 159 O ALA A 10 3.168 -11.560 4.183 1.00 0.17 O ATOM 160 CB ALA A 10 5.806 -10.748 6.184 1.00 0.16 C ATOM 0 H ALA A 10 7.296 -12.050 4.671 1.00 0.24 H new ATOM 0 HA ALA A 10 4.707 -12.577 5.885 1.00 0.18 H new ATOM 0 HB1 ALA A 10 4.975 -10.240 6.673 1.00 0.16 H new ATOM 0 HB2 ALA A 10 6.464 -11.177 6.939 1.00 0.16 H new ATOM 0 HB3 ALA A 10 6.364 -10.032 5.581 1.00 0.16 H new ATOM 166 N PHE A 11 4.896 -10.402 3.411 1.00 0.14 N ATOM 167 CA PHE A 11 4.075 -9.765 2.338 1.00 0.12 C ATOM 168 C PHE A 11 3.169 -10.809 1.684 1.00 0.09 C ATOM 169 O PHE A 11 2.093 -10.499 1.218 1.00 0.10 O ATOM 170 CB PHE A 11 5.014 -9.180 1.284 1.00 0.13 C ATOM 171 CG PHE A 11 4.196 -8.448 0.217 1.00 0.16 C ATOM 172 CD1 PHE A 11 3.505 -7.292 0.532 1.00 0.19 C ATOM 173 CD2 PHE A 11 4.141 -8.933 -1.081 1.00 0.18 C ATOM 174 CE1 PHE A 11 2.770 -6.633 -0.432 1.00 0.23 C ATOM 175 CE2 PHE A 11 3.405 -8.270 -2.041 1.00 0.22 C ATOM 176 CZ PHE A 11 2.722 -7.122 -1.718 1.00 0.25 C ATOM 0 H PHE A 11 5.876 -10.120 3.436 1.00 0.14 H new ATOM 0 HA PHE A 11 3.456 -8.979 2.770 1.00 0.12 H new ATOM 0 HB2 PHE A 11 5.719 -8.492 1.752 1.00 0.13 H new ATOM 0 HB3 PHE A 11 5.602 -9.975 0.824 1.00 0.13 H new ATOM 0 HD1 PHE A 11 3.541 -6.903 1.539 1.00 0.19 H new ATOM 0 HD2 PHE A 11 4.677 -9.834 -1.341 1.00 0.18 H new ATOM 0 HE1 PHE A 11 2.232 -5.732 -0.177 1.00 0.23 H new ATOM 0 HE2 PHE A 11 3.365 -8.654 -3.050 1.00 0.22 H new ATOM 0 HZ PHE A 11 2.148 -6.604 -2.472 1.00 0.25 H new ATOM 186 N GLN A 12 3.631 -12.026 1.667 1.00 0.09 N ATOM 187 CA GLN A 12 2.819 -13.112 1.042 1.00 0.15 C ATOM 188 C GLN A 12 1.670 -13.524 1.964 1.00 0.17 C ATOM 189 O GLN A 12 0.530 -13.596 1.551 1.00 0.21 O ATOM 190 CB GLN A 12 3.732 -14.315 0.769 1.00 0.21 C ATOM 191 CG GLN A 12 2.887 -15.547 0.411 1.00 1.74 C ATOM 192 CD GLN A 12 1.833 -15.164 -0.631 1.00 1.97 C ATOM 193 OE1 GLN A 12 0.664 -15.030 -0.328 1.00 3.13 O ATOM 194 NE2 GLN A 12 2.203 -14.980 -1.870 1.00 1.21 N ATOM 0 H GLN A 12 4.528 -12.318 2.055 1.00 0.09 H new ATOM 0 HA GLN A 12 2.390 -12.751 0.107 1.00 0.15 H new ATOM 0 HB2 GLN A 12 4.417 -14.084 -0.047 1.00 0.21 H new ATOM 0 HB3 GLN A 12 4.342 -14.525 1.647 1.00 0.21 H new ATOM 0 HG2 GLN A 12 3.527 -16.338 0.021 1.00 1.74 H new ATOM 0 HG3 GLN A 12 2.403 -15.940 1.305 1.00 1.74 H new ATOM 0 HE21 GLN A 12 3.183 -15.091 -2.132 1.00 1.21 H new ATOM 0 HE22 GLN A 12 1.512 -14.725 -2.576 1.00 1.21 H new ATOM 203 N GLU A 13 1.998 -13.779 3.191 1.00 0.16 N ATOM 204 CA GLU A 13 0.946 -14.204 4.166 1.00 0.20 C ATOM 205 C GLU A 13 -0.054 -13.067 4.413 1.00 0.11 C ATOM 206 O GLU A 13 -1.216 -13.308 4.668 1.00 0.09 O ATOM 207 CB GLU A 13 1.613 -14.592 5.484 1.00 0.29 C ATOM 208 CG GLU A 13 2.507 -15.812 5.254 1.00 0.95 C ATOM 209 CD GLU A 13 1.951 -17.002 6.039 1.00 1.64 C ATOM 210 OE1 GLU A 13 2.238 -17.052 7.224 1.00 1.43 O ATOM 211 OE2 GLU A 13 1.271 -17.796 5.409 1.00 2.81 O ATOM 0 H GLU A 13 2.943 -13.715 3.569 1.00 0.16 H new ATOM 0 HA GLU A 13 0.406 -15.057 3.754 1.00 0.20 H new ATOM 0 HB2 GLU A 13 2.204 -13.759 5.865 1.00 0.29 H new ATOM 0 HB3 GLU A 13 0.857 -14.817 6.236 1.00 0.29 H new ATOM 0 HG2 GLU A 13 2.550 -16.051 4.191 1.00 0.95 H new ATOM 0 HG3 GLU A 13 3.526 -15.595 5.573 1.00 0.95 H new ATOM 218 N ALA A 14 0.418 -11.854 4.334 1.00 0.08 N ATOM 219 CA ALA A 14 -0.497 -10.699 4.568 1.00 0.08 C ATOM 220 C ALA A 14 -1.582 -10.659 3.487 1.00 0.09 C ATOM 221 O ALA A 14 -2.722 -10.342 3.761 1.00 0.19 O ATOM 222 CB ALA A 14 0.310 -9.403 4.533 1.00 0.19 C ATOM 0 H ALA A 14 1.386 -11.613 4.120 1.00 0.08 H new ATOM 0 HA ALA A 14 -0.974 -10.810 5.542 1.00 0.08 H new ATOM 0 HB1 ALA A 14 -0.354 -8.556 4.704 1.00 0.19 H new ATOM 0 HB2 ALA A 14 1.073 -9.428 5.311 1.00 0.19 H new ATOM 0 HB3 ALA A 14 0.788 -9.299 3.559 1.00 0.19 H new ATOM 228 N LEU A 15 -1.201 -10.979 2.283 1.00 0.08 N ATOM 229 CA LEU A 15 -2.200 -10.968 1.176 1.00 0.18 C ATOM 230 C LEU A 15 -3.107 -12.196 1.283 1.00 0.24 C ATOM 231 O LEU A 15 -4.137 -12.270 0.644 1.00 0.35 O ATOM 232 CB LEU A 15 -1.460 -10.988 -0.167 1.00 0.21 C ATOM 233 CG LEU A 15 -0.639 -9.698 -0.322 1.00 0.21 C ATOM 234 CD1 LEU A 15 0.146 -9.757 -1.633 1.00 0.24 C ATOM 235 CD2 LEU A 15 -1.573 -8.484 -0.356 1.00 0.23 C ATOM 0 H LEU A 15 -0.253 -11.245 2.018 1.00 0.08 H new ATOM 0 HA LEU A 15 -2.812 -10.069 1.245 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -0.804 -11.857 -0.220 1.00 0.21 H new ATOM 0 HB3 LEU A 15 -2.174 -11.077 -0.986 1.00 0.21 H new ATOM 0 HG LEU A 15 0.044 -9.605 0.522 1.00 0.21 H new ATOM 0 HD11 LEU A 15 0.731 -8.844 -1.748 1.00 0.24 H new ATOM 0 HD12 LEU A 15 0.815 -10.617 -1.618 1.00 0.24 H new ATOM 0 HD13 LEU A 15 -0.548 -9.852 -2.468 1.00 0.24 H new ATOM 0 HD21 LEU A 15 -0.983 -7.574 -0.466 1.00 0.23 H new ATOM 0 HD22 LEU A 15 -2.259 -8.576 -1.198 1.00 0.23 H new ATOM 0 HD23 LEU A 15 -2.143 -8.437 0.572 1.00 0.23 H new ATOM 247 N ASP A 16 -2.702 -13.132 2.095 1.00 0.21 N ATOM 248 CA ASP A 16 -3.529 -14.362 2.266 1.00 0.31 C ATOM 249 C ASP A 16 -4.434 -14.220 3.492 1.00 0.25 C ATOM 250 O ASP A 16 -5.394 -14.951 3.648 1.00 0.25 O ATOM 251 CB ASP A 16 -2.609 -15.568 2.450 1.00 0.38 C ATOM 252 CG ASP A 16 -3.453 -16.843 2.497 1.00 0.50 C ATOM 253 OD1 ASP A 16 -4.135 -17.078 1.514 1.00 1.18 O ATOM 254 OD2 ASP A 16 -3.369 -17.511 3.515 1.00 0.90 O ATOM 0 H ASP A 16 -1.843 -13.101 2.644 1.00 0.21 H new ATOM 0 HA ASP A 16 -4.149 -14.502 1.381 1.00 0.31 H new ATOM 0 HB2 ASP A 16 -1.892 -15.622 1.630 1.00 0.38 H new ATOM 0 HB3 ASP A 16 -2.034 -15.464 3.370 1.00 0.38 H new ATOM 259 N ALA A 17 -4.108 -13.282 4.333 1.00 0.22 N ATOM 260 CA ALA A 17 -4.936 -13.070 5.557 1.00 0.17 C ATOM 261 C ALA A 17 -5.945 -11.945 5.314 1.00 0.19 C ATOM 262 O ALA A 17 -6.832 -11.718 6.113 1.00 0.21 O ATOM 263 CB ALA A 17 -4.021 -12.691 6.721 1.00 0.20 C ATOM 0 H ALA A 17 -3.310 -12.655 4.230 1.00 0.22 H new ATOM 0 HA ALA A 17 -5.475 -13.987 5.794 1.00 0.17 H new ATOM 0 HB1 ALA A 17 -4.620 -12.535 7.618 1.00 0.20 H new ATOM 0 HB2 ALA A 17 -3.305 -13.494 6.898 1.00 0.20 H new ATOM 0 HB3 ALA A 17 -3.485 -11.774 6.478 1.00 0.20 H new ATOM 269 N ALA A 18 -5.785 -11.267 4.213 1.00 0.23 N ATOM 270 CA ALA A 18 -6.720 -10.151 3.894 1.00 0.26 C ATOM 271 C ALA A 18 -7.939 -10.684 3.140 1.00 0.20 C ATOM 272 O ALA A 18 -8.708 -9.926 2.583 1.00 0.24 O ATOM 273 CB ALA A 18 -5.993 -9.129 3.022 1.00 0.34 C ATOM 0 H ALA A 18 -5.052 -11.435 3.523 1.00 0.23 H new ATOM 0 HA ALA A 18 -7.054 -9.684 4.821 1.00 0.26 H new ATOM 0 HB1 ALA A 18 -6.669 -8.308 2.783 1.00 0.34 H new ATOM 0 HB2 ALA A 18 -5.128 -8.742 3.560 1.00 0.34 H new ATOM 0 HB3 ALA A 18 -5.663 -9.607 2.100 1.00 0.34 H new ATOM 279 N GLY A 19 -8.092 -11.979 3.137 1.00 0.23 N ATOM 280 CA GLY A 19 -9.251 -12.572 2.418 1.00 0.16 C ATOM 281 C GLY A 19 -9.111 -12.337 0.914 1.00 0.06 C ATOM 282 O GLY A 19 -8.216 -12.863 0.282 1.00 0.12 O ATOM 0 H GLY A 19 -7.471 -12.645 3.596 1.00 0.23 H new ATOM 0 HA2 GLY A 19 -9.308 -13.641 2.623 1.00 0.16 H new ATOM 0 HA3 GLY A 19 -10.179 -12.128 2.779 1.00 0.16 H new ATOM 286 N ASP A 20 -9.996 -11.548 0.371 1.00 0.11 N ATOM 287 CA ASP A 20 -9.924 -11.268 -1.092 1.00 0.16 C ATOM 288 C ASP A 20 -10.407 -9.842 -1.389 1.00 0.26 C ATOM 289 O ASP A 20 -10.556 -9.461 -2.534 1.00 0.59 O ATOM 290 CB ASP A 20 -10.807 -12.272 -1.833 1.00 0.37 C ATOM 291 CG ASP A 20 -10.810 -11.942 -3.327 1.00 1.96 C ATOM 292 OD1 ASP A 20 -9.809 -11.400 -3.764 1.00 3.14 O ATOM 293 OD2 ASP A 20 -11.815 -12.251 -3.947 1.00 2.43 O ATOM 0 H ASP A 20 -10.758 -11.089 0.870 1.00 0.11 H new ATOM 0 HA ASP A 20 -8.890 -11.361 -1.425 1.00 0.16 H new ATOM 0 HB2 ASP A 20 -10.437 -13.285 -1.674 1.00 0.37 H new ATOM 0 HB3 ASP A 20 -11.823 -12.238 -1.440 1.00 0.37 H new ATOM 298 N LYS A 21 -10.641 -9.084 -0.354 1.00 0.25 N ATOM 299 CA LYS A 21 -11.106 -7.684 -0.570 1.00 0.26 C ATOM 300 C LYS A 21 -9.969 -6.844 -1.150 1.00 0.21 C ATOM 301 O LYS A 21 -8.823 -7.235 -1.103 1.00 0.18 O ATOM 302 CB LYS A 21 -11.548 -7.089 0.765 1.00 0.28 C ATOM 303 CG LYS A 21 -12.773 -7.850 1.273 1.00 0.43 C ATOM 304 CD LYS A 21 -12.730 -7.909 2.800 1.00 0.45 C ATOM 305 CE LYS A 21 -14.009 -8.571 3.311 1.00 0.77 C ATOM 306 NZ LYS A 21 -13.979 -10.036 3.043 1.00 1.78 N ATOM 0 H LYS A 21 -10.533 -9.367 0.620 1.00 0.25 H new ATOM 0 HA LYS A 21 -11.943 -7.684 -1.268 1.00 0.26 H new ATOM 0 HB2 LYS A 21 -10.738 -7.153 1.491 1.00 0.28 H new ATOM 0 HB3 LYS A 21 -11.785 -6.032 0.645 1.00 0.28 H new ATOM 0 HG2 LYS A 21 -13.686 -7.356 0.942 1.00 0.43 H new ATOM 0 HG3 LYS A 21 -12.788 -8.858 0.858 1.00 0.43 H new ATOM 0 HD2 LYS A 21 -11.857 -8.472 3.130 1.00 0.45 H new ATOM 0 HD3 LYS A 21 -12.636 -6.905 3.213 1.00 0.45 H new ATOM 0 HE2 LYS A 21 -14.116 -8.393 4.381 1.00 0.77 H new ATOM 0 HE3 LYS A 21 -14.876 -8.124 2.825 1.00 0.77 H new ATOM 0 HZ1 LYS A 21 -14.797 -10.489 3.499 1.00 1.78 H new ATOM 0 HZ2 LYS A 21 -14.019 -10.202 2.017 1.00 1.78 H new ATOM 0 HZ3 LYS A 21 -13.101 -10.441 3.426 1.00 1.78 H new ATOM 320 N LEU A 22 -10.309 -5.709 -1.690 1.00 0.25 N ATOM 321 CA LEU A 22 -9.253 -4.830 -2.273 1.00 0.21 C ATOM 322 C LEU A 22 -8.094 -4.672 -1.283 1.00 0.19 C ATOM 323 O LEU A 22 -8.310 -4.453 -0.107 1.00 0.23 O ATOM 324 CB LEU A 22 -9.856 -3.451 -2.561 1.00 0.22 C ATOM 325 CG LEU A 22 -10.026 -3.246 -4.071 1.00 0.59 C ATOM 326 CD1 LEU A 22 -11.113 -4.190 -4.601 1.00 1.92 C ATOM 327 CD2 LEU A 22 -10.454 -1.797 -4.321 1.00 1.26 C ATOM 0 H LEU A 22 -11.262 -5.352 -1.754 1.00 0.25 H new ATOM 0 HA LEU A 22 -8.879 -5.279 -3.193 1.00 0.21 H new ATOM 0 HB2 LEU A 22 -10.822 -3.359 -2.064 1.00 0.22 H new ATOM 0 HB3 LEU A 22 -9.211 -2.673 -2.152 1.00 0.22 H new ATOM 0 HG LEU A 22 -9.086 -3.457 -4.581 1.00 0.59 H new ATOM 0 HD11 LEU A 22 -11.232 -4.042 -5.674 1.00 1.92 H new ATOM 0 HD12 LEU A 22 -10.824 -5.223 -4.407 1.00 1.92 H new ATOM 0 HD13 LEU A 22 -12.057 -3.977 -4.099 1.00 1.92 H new ATOM 0 HD21 LEU A 22 -10.579 -1.634 -5.391 1.00 1.26 H new ATOM 0 HD22 LEU A 22 -11.398 -1.603 -3.811 1.00 1.26 H new ATOM 0 HD23 LEU A 22 -9.690 -1.121 -3.938 1.00 1.26 H new ATOM 339 N VAL A 23 -6.890 -4.791 -1.785 1.00 0.15 N ATOM 340 CA VAL A 23 -5.696 -4.639 -0.899 1.00 0.17 C ATOM 341 C VAL A 23 -4.735 -3.630 -1.541 1.00 0.17 C ATOM 342 O VAL A 23 -4.019 -3.958 -2.465 1.00 0.18 O ATOM 343 CB VAL A 23 -5.001 -6.011 -0.748 1.00 0.15 C ATOM 344 CG1 VAL A 23 -4.196 -6.079 0.562 1.00 0.22 C ATOM 345 CG2 VAL A 23 -6.062 -7.115 -0.733 1.00 0.15 C ATOM 0 H VAL A 23 -6.683 -4.986 -2.765 1.00 0.15 H new ATOM 0 HA VAL A 23 -5.995 -4.281 0.086 1.00 0.17 H new ATOM 0 HB VAL A 23 -4.319 -6.146 -1.588 1.00 0.15 H new ATOM 0 HG11 VAL A 23 -3.717 -7.055 0.644 1.00 0.22 H new ATOM 0 HG12 VAL A 23 -3.434 -5.299 0.562 1.00 0.22 H new ATOM 0 HG13 VAL A 23 -4.866 -5.931 1.409 1.00 0.22 H new ATOM 0 HG21 VAL A 23 -5.576 -8.085 -0.627 1.00 0.15 H new ATOM 0 HG22 VAL A 23 -6.741 -6.956 0.104 1.00 0.15 H new ATOM 0 HG23 VAL A 23 -6.625 -7.091 -1.666 1.00 0.15 H new ATOM 355 N VAL A 24 -4.743 -2.425 -1.034 1.00 0.17 N ATOM 356 CA VAL A 24 -3.862 -1.370 -1.628 1.00 0.18 C ATOM 357 C VAL A 24 -2.599 -1.164 -0.785 1.00 0.22 C ATOM 358 O VAL A 24 -2.673 -0.909 0.401 1.00 0.40 O ATOM 359 CB VAL A 24 -4.649 -0.067 -1.701 1.00 0.22 C ATOM 360 CG1 VAL A 24 -3.767 1.021 -2.313 1.00 0.24 C ATOM 361 CG2 VAL A 24 -5.881 -0.278 -2.583 1.00 0.21 C ATOM 0 H VAL A 24 -5.314 -2.125 -0.243 1.00 0.17 H new ATOM 0 HA VAL A 24 -3.551 -1.686 -2.624 1.00 0.18 H new ATOM 0 HB VAL A 24 -4.959 0.236 -0.701 1.00 0.22 H new ATOM 0 HG11 VAL A 24 -4.326 1.955 -2.367 1.00 0.24 H new ATOM 0 HG12 VAL A 24 -2.882 1.163 -1.693 1.00 0.24 H new ATOM 0 HG13 VAL A 24 -3.463 0.722 -3.316 1.00 0.24 H new ATOM 0 HG21 VAL A 24 -6.450 0.650 -2.641 1.00 0.21 H new ATOM 0 HG22 VAL A 24 -5.566 -0.573 -3.584 1.00 0.21 H new ATOM 0 HG23 VAL A 24 -6.506 -1.061 -2.154 1.00 0.21 H new ATOM 371 N VAL A 25 -1.461 -1.258 -1.431 1.00 0.11 N ATOM 372 CA VAL A 25 -0.174 -1.080 -0.691 1.00 0.11 C ATOM 373 C VAL A 25 0.386 0.323 -0.902 1.00 0.12 C ATOM 374 O VAL A 25 0.117 0.960 -1.901 1.00 0.17 O ATOM 375 CB VAL A 25 0.842 -2.102 -1.196 1.00 0.07 C ATOM 376 CG1 VAL A 25 2.156 -1.933 -0.428 1.00 0.16 C ATOM 377 CG2 VAL A 25 0.305 -3.512 -0.961 1.00 0.05 C ATOM 0 H VAL A 25 -1.369 -1.448 -2.429 1.00 0.11 H new ATOM 0 HA VAL A 25 -0.363 -1.225 0.373 1.00 0.11 H new ATOM 0 HB VAL A 25 1.014 -1.947 -2.261 1.00 0.07 H new ATOM 0 HG11 VAL A 25 2.883 -2.661 -0.787 1.00 0.16 H new ATOM 0 HG12 VAL A 25 2.543 -0.926 -0.586 1.00 0.16 H new ATOM 0 HG13 VAL A 25 1.979 -2.091 0.636 1.00 0.16 H new ATOM 0 HG21 VAL A 25 1.030 -4.242 -1.321 1.00 0.05 H new ATOM 0 HG22 VAL A 25 0.136 -3.664 0.105 1.00 0.05 H new ATOM 0 HG23 VAL A 25 -0.635 -3.638 -1.499 1.00 0.05 H new ATOM 387 N ASP A 26 1.158 0.765 0.056 1.00 0.15 N ATOM 388 CA ASP A 26 1.775 2.119 -0.046 1.00 0.14 C ATOM 389 C ASP A 26 3.296 1.995 0.044 1.00 0.13 C ATOM 390 O ASP A 26 3.869 2.067 1.114 1.00 0.13 O ATOM 391 CB ASP A 26 1.269 2.988 1.101 1.00 0.15 C ATOM 392 CG ASP A 26 1.867 4.391 0.977 1.00 0.23 C ATOM 393 OD1 ASP A 26 2.203 4.739 -0.143 1.00 1.41 O ATOM 394 OD2 ASP A 26 1.952 5.035 2.010 1.00 0.99 O ATOM 0 H ASP A 26 1.387 0.247 0.904 1.00 0.15 H new ATOM 0 HA ASP A 26 1.504 2.573 -0.999 1.00 0.14 H new ATOM 0 HB2 ASP A 26 0.181 3.041 1.079 1.00 0.15 H new ATOM 0 HB3 ASP A 26 1.547 2.545 2.057 1.00 0.15 H new ATOM 399 N PHE A 27 3.912 1.797 -1.083 1.00 0.13 N ATOM 400 CA PHE A 27 5.393 1.665 -1.096 1.00 0.12 C ATOM 401 C PHE A 27 6.037 3.046 -0.975 1.00 0.17 C ATOM 402 O PHE A 27 6.242 3.728 -1.959 1.00 0.23 O ATOM 403 CB PHE A 27 5.808 1.006 -2.403 1.00 0.12 C ATOM 404 CG PHE A 27 5.438 -0.480 -2.353 1.00 0.07 C ATOM 405 CD1 PHE A 27 6.291 -1.394 -1.757 1.00 0.07 C ATOM 406 CD2 PHE A 27 4.245 -0.933 -2.901 1.00 0.06 C ATOM 407 CE1 PHE A 27 5.965 -2.731 -1.715 1.00 0.08 C ATOM 408 CE2 PHE A 27 3.925 -2.279 -2.852 1.00 0.07 C ATOM 409 CZ PHE A 27 4.785 -3.172 -2.261 1.00 0.09 C ATOM 0 H PHE A 27 3.458 1.721 -1.993 1.00 0.13 H new ATOM 0 HA PHE A 27 5.722 1.055 -0.255 1.00 0.12 H new ATOM 0 HB2 PHE A 27 5.310 1.490 -3.243 1.00 0.12 H new ATOM 0 HB3 PHE A 27 6.881 1.122 -2.559 1.00 0.12 H new ATOM 0 HD1 PHE A 27 7.219 -1.055 -1.322 1.00 0.07 H new ATOM 0 HD2 PHE A 27 3.566 -0.234 -3.366 1.00 0.06 H new ATOM 0 HE1 PHE A 27 6.640 -3.435 -1.251 1.00 0.08 H new ATOM 0 HE2 PHE A 27 2.997 -2.628 -3.280 1.00 0.07 H new ATOM 0 HZ PHE A 27 4.533 -4.222 -2.226 1.00 0.09 H new ATOM 419 N SER A 28 6.342 3.427 0.238 1.00 0.19 N ATOM 420 CA SER A 28 6.964 4.766 0.455 1.00 0.23 C ATOM 421 C SER A 28 8.032 4.682 1.552 1.00 0.25 C ATOM 422 O SER A 28 8.451 3.606 1.933 1.00 0.31 O ATOM 423 CB SER A 28 5.879 5.751 0.879 1.00 0.27 C ATOM 424 OG SER A 28 6.419 7.024 0.553 1.00 1.68 O ATOM 0 H SER A 28 6.189 2.874 1.081 1.00 0.19 H new ATOM 0 HA SER A 28 7.435 5.100 -0.470 1.00 0.23 H new ATOM 0 HB2 SER A 28 4.945 5.567 0.349 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.662 5.671 1.944 1.00 0.27 H new ATOM 0 HG SER A 28 5.723 7.708 0.644 1.00 1.68 H new ATOM 430 N ALA A 29 8.449 5.827 2.036 1.00 0.32 N ATOM 431 CA ALA A 29 9.490 5.843 3.113 1.00 0.36 C ATOM 432 C ALA A 29 8.858 6.219 4.459 1.00 0.36 C ATOM 433 O ALA A 29 8.225 7.248 4.584 1.00 0.34 O ATOM 434 CB ALA A 29 10.559 6.872 2.755 1.00 0.50 C ATOM 0 H ALA A 29 8.118 6.744 1.736 1.00 0.32 H new ATOM 0 HA ALA A 29 9.934 4.851 3.196 1.00 0.36 H new ATOM 0 HB1 ALA A 29 11.321 6.891 3.534 1.00 0.50 H new ATOM 0 HB2 ALA A 29 11.018 6.603 1.804 1.00 0.50 H new ATOM 0 HB3 ALA A 29 10.102 7.858 2.671 1.00 0.50 H new ATOM 440 N THR A 30 9.046 5.374 5.437 1.00 0.43 N ATOM 441 CA THR A 30 8.463 5.669 6.782 1.00 0.51 C ATOM 442 C THR A 30 9.436 6.527 7.598 1.00 0.55 C ATOM 443 O THR A 30 9.126 6.957 8.692 1.00 0.86 O ATOM 444 CB THR A 30 8.204 4.351 7.515 1.00 0.63 C ATOM 445 OG1 THR A 30 7.300 4.689 8.564 1.00 0.85 O ATOM 446 CG2 THR A 30 9.460 3.840 8.215 1.00 0.64 C ATOM 0 H THR A 30 9.571 4.502 5.367 1.00 0.43 H new ATOM 0 HA THR A 30 7.527 6.215 6.660 1.00 0.51 H new ATOM 0 HB THR A 30 7.851 3.599 6.810 1.00 0.63 H new ATOM 0 HG1 THR A 30 7.627 5.485 9.034 1.00 0.85 H new ATOM 0 HG21 THR A 30 9.237 2.903 8.724 1.00 0.64 H new ATOM 0 HG22 THR A 30 10.246 3.674 7.478 1.00 0.64 H new ATOM 0 HG23 THR A 30 9.796 4.578 8.944 1.00 0.64 H new ATOM 454 N TRP A 31 10.591 6.754 7.040 1.00 0.68 N ATOM 455 CA TRP A 31 11.614 7.577 7.749 1.00 0.66 C ATOM 456 C TRP A 31 11.670 8.981 7.136 1.00 0.55 C ATOM 457 O TRP A 31 11.723 9.969 7.840 1.00 0.54 O ATOM 458 CB TRP A 31 12.969 6.901 7.584 1.00 0.62 C ATOM 459 CG TRP A 31 13.202 6.645 6.096 1.00 0.49 C ATOM 460 CD1 TRP A 31 12.822 5.540 5.462 1.00 0.42 C ATOM 461 CD2 TRP A 31 13.770 7.498 5.260 1.00 0.43 C ATOM 462 NE1 TRP A 31 13.188 5.762 4.191 1.00 0.32 N ATOM 463 CE2 TRP A 31 13.794 6.976 3.978 1.00 0.31 C ATOM 464 CE3 TRP A 31 14.299 8.760 5.490 1.00 0.46 C ATOM 465 CZ2 TRP A 31 14.337 7.705 2.943 1.00 0.23 C ATOM 466 CZ3 TRP A 31 14.842 9.483 4.449 1.00 0.37 C ATOM 467 CH2 TRP A 31 14.861 8.956 3.178 1.00 0.26 C ATOM 0 H TRP A 31 10.873 6.406 6.124 1.00 0.68 H new ATOM 0 HA TRP A 31 11.356 7.662 8.805 1.00 0.66 H new ATOM 0 HB2 TRP A 31 13.760 7.533 7.989 1.00 0.62 H new ATOM 0 HB3 TRP A 31 12.995 5.963 8.139 1.00 0.62 H new ATOM 0 HD1 TRP A 31 12.334 4.669 5.873 1.00 0.42 H new ATOM 0 HE1 TRP A 31 13.029 5.085 3.444 1.00 0.32 H new ATOM 0 HE3 TRP A 31 14.285 9.177 6.486 1.00 0.46 H new ATOM 0 HZ2 TRP A 31 14.352 7.294 1.944 1.00 0.23 H new ATOM 0 HZ3 TRP A 31 15.253 10.465 4.632 1.00 0.37 H new ATOM 0 HH2 TRP A 31 15.287 9.524 2.364 1.00 0.26 H new ATOM 478 N CYS A 32 11.657 9.033 5.830 1.00 0.49 N ATOM 479 CA CYS A 32 11.712 10.358 5.146 1.00 0.41 C ATOM 480 C CYS A 32 10.672 11.307 5.752 1.00 0.42 C ATOM 481 O CYS A 32 9.916 10.928 6.626 1.00 0.42 O ATOM 482 CB CYS A 32 11.426 10.166 3.659 1.00 0.42 C ATOM 483 SG CYS A 32 11.676 11.592 2.574 1.00 0.37 S ATOM 0 H CYS A 32 11.611 8.223 5.212 1.00 0.49 H new ATOM 0 HA CYS A 32 12.703 10.791 5.278 1.00 0.41 H new ATOM 0 HB2 CYS A 32 12.055 9.353 3.297 1.00 0.42 H new ATOM 0 HB3 CYS A 32 10.391 9.840 3.554 1.00 0.42 H new ATOM 0 HG CYS A 32 11.810 11.185 1.347 1.00 0.37 H new ATOM 489 N GLY A 33 10.659 12.522 5.272 1.00 0.54 N ATOM 490 CA GLY A 33 9.683 13.519 5.811 1.00 0.57 C ATOM 491 C GLY A 33 8.465 13.673 4.880 1.00 0.52 C ATOM 492 O GLY A 33 7.374 13.252 5.208 1.00 0.45 O ATOM 0 H GLY A 33 11.275 12.867 4.536 1.00 0.54 H new ATOM 0 HA2 GLY A 33 9.349 13.206 6.800 1.00 0.57 H new ATOM 0 HA3 GLY A 33 10.175 14.484 5.931 1.00 0.57 H new ATOM 496 N PRO A 34 8.685 14.283 3.732 1.00 0.60 N ATOM 497 CA PRO A 34 7.611 14.506 2.753 1.00 0.61 C ATOM 498 C PRO A 34 6.820 13.218 2.482 1.00 0.55 C ATOM 499 O PRO A 34 5.650 13.266 2.159 1.00 0.57 O ATOM 500 CB PRO A 34 8.321 14.982 1.483 1.00 0.75 C ATOM 501 CG PRO A 34 9.816 15.228 1.855 1.00 0.81 C ATOM 502 CD PRO A 34 10.007 14.776 3.317 1.00 0.72 C ATOM 0 HA PRO A 34 6.885 15.233 3.117 1.00 0.61 H new ATOM 0 HB2 PRO A 34 8.239 14.235 0.693 1.00 0.75 H new ATOM 0 HB3 PRO A 34 7.863 15.896 1.106 1.00 0.75 H new ATOM 0 HG2 PRO A 34 10.474 14.668 1.191 1.00 0.81 H new ATOM 0 HG3 PRO A 34 10.071 16.282 1.742 1.00 0.81 H new ATOM 0 HD2 PRO A 34 10.763 13.995 3.394 1.00 0.72 H new ATOM 0 HD3 PRO A 34 10.337 15.602 3.947 1.00 0.72 H new ATOM 510 N CYS A 35 7.469 12.095 2.614 1.00 0.50 N ATOM 511 CA CYS A 35 6.748 10.812 2.368 1.00 0.50 C ATOM 512 C CYS A 35 5.781 10.527 3.523 1.00 0.43 C ATOM 513 O CYS A 35 4.661 10.110 3.307 1.00 0.53 O ATOM 514 CB CYS A 35 7.762 9.680 2.251 1.00 0.50 C ATOM 515 SG CYS A 35 9.186 9.958 1.170 1.00 0.42 S ATOM 0 H CYS A 35 8.451 12.008 2.877 1.00 0.50 H new ATOM 0 HA CYS A 35 6.178 10.888 1.442 1.00 0.50 H new ATOM 0 HB2 CYS A 35 8.135 9.455 3.250 1.00 0.50 H new ATOM 0 HB3 CYS A 35 7.238 8.792 1.899 1.00 0.50 H new ATOM 0 HG CYS A 35 9.958 10.864 1.693 1.00 0.42 H new ATOM 521 N LYS A 36 6.234 10.759 4.727 1.00 0.31 N ATOM 522 CA LYS A 36 5.346 10.516 5.896 1.00 0.32 C ATOM 523 C LYS A 36 4.466 11.751 6.139 1.00 0.32 C ATOM 524 O LYS A 36 3.775 11.843 7.134 1.00 0.56 O ATOM 525 CB LYS A 36 6.208 10.235 7.131 1.00 0.29 C ATOM 526 CG LYS A 36 5.300 9.988 8.341 1.00 0.59 C ATOM 527 CD LYS A 36 5.865 8.833 9.171 1.00 0.24 C ATOM 528 CE LYS A 36 5.104 8.741 10.498 1.00 1.60 C ATOM 529 NZ LYS A 36 3.722 8.232 10.271 1.00 3.08 N ATOM 0 H LYS A 36 7.169 11.102 4.948 1.00 0.31 H new ATOM 0 HA LYS A 36 4.704 9.657 5.700 1.00 0.32 H new ATOM 0 HB2 LYS A 36 6.842 9.366 6.955 1.00 0.29 H new ATOM 0 HB3 LYS A 36 6.870 11.079 7.326 1.00 0.29 H new ATOM 0 HG2 LYS A 36 5.233 10.890 8.950 1.00 0.59 H new ATOM 0 HG3 LYS A 36 4.289 9.752 8.009 1.00 0.59 H new ATOM 0 HD2 LYS A 36 5.774 7.896 8.621 1.00 0.24 H new ATOM 0 HD3 LYS A 36 6.927 8.990 9.358 1.00 0.24 H new ATOM 0 HE2 LYS A 36 5.634 8.079 11.183 1.00 1.60 H new ATOM 0 HE3 LYS A 36 5.064 9.723 10.970 1.00 1.60 H new ATOM 0 HZ1 LYS A 36 3.192 8.255 11.166 1.00 3.08 H new ATOM 0 HZ2 LYS A 36 3.242 8.831 9.569 1.00 3.08 H new ATOM 0 HZ3 LYS A 36 3.766 7.254 9.920 1.00 3.08 H new ATOM 543 N MET A 37 4.514 12.675 5.213 1.00 0.36 N ATOM 544 CA MET A 37 3.685 13.910 5.362 1.00 0.34 C ATOM 545 C MET A 37 2.267 13.652 4.838 1.00 0.37 C ATOM 546 O MET A 37 1.314 14.252 5.295 1.00 0.35 O ATOM 547 CB MET A 37 4.329 15.043 4.566 1.00 0.38 C ATOM 548 CG MET A 37 3.430 16.278 4.638 1.00 1.08 C ATOM 549 SD MET A 37 2.448 16.678 3.172 1.00 2.86 S ATOM 550 CE MET A 37 3.582 17.898 2.465 1.00 3.14 C ATOM 0 H MET A 37 5.085 12.630 4.369 1.00 0.36 H new ATOM 0 HA MET A 37 3.629 14.186 6.415 1.00 0.34 H new ATOM 0 HB2 MET A 37 5.316 15.272 4.969 1.00 0.38 H new ATOM 0 HB3 MET A 37 4.470 14.741 3.528 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.746 16.149 5.477 1.00 1.08 H new ATOM 0 HG3 MET A 37 4.058 17.139 4.868 1.00 1.08 H new ATOM 0 HE1 MET A 37 3.166 18.285 1.534 1.00 3.14 H new ATOM 0 HE2 MET A 37 3.719 18.718 3.170 1.00 3.14 H new ATOM 0 HE3 MET A 37 4.544 17.427 2.265 1.00 3.14 H new ATOM 560 N ILE A 38 2.164 12.768 3.881 1.00 0.46 N ATOM 561 CA ILE A 38 0.819 12.436 3.321 1.00 0.53 C ATOM 562 C ILE A 38 0.300 11.159 3.983 1.00 0.42 C ATOM 563 O ILE A 38 -0.718 10.619 3.603 1.00 0.55 O ATOM 564 CB ILE A 38 0.941 12.225 1.809 1.00 0.73 C ATOM 565 CG1 ILE A 38 1.329 13.556 1.147 1.00 0.82 C ATOM 566 CG2 ILE A 38 -0.410 11.757 1.261 1.00 0.91 C ATOM 567 CD1 ILE A 38 1.685 13.322 -0.329 1.00 1.12 C ATOM 0 H ILE A 38 2.947 12.264 3.464 1.00 0.46 H new ATOM 0 HA ILE A 38 0.123 13.252 3.516 1.00 0.53 H new ATOM 0 HB ILE A 38 1.703 11.475 1.596 1.00 0.73 H new ATOM 0 HG12 ILE A 38 0.504 14.264 1.223 1.00 0.82 H new ATOM 0 HG13 ILE A 38 2.178 13.998 1.669 1.00 0.82 H new ATOM 0 HG21 ILE A 38 -0.333 11.604 0.185 1.00 0.91 H new ATOM 0 HG22 ILE A 38 -0.693 10.820 1.741 1.00 0.91 H new ATOM 0 HG23 ILE A 38 -1.168 12.513 1.467 1.00 0.91 H new ATOM 0 HD11 ILE A 38 1.959 14.270 -0.792 1.00 1.12 H new ATOM 0 HD12 ILE A 38 2.524 12.630 -0.396 1.00 1.12 H new ATOM 0 HD13 ILE A 38 0.825 12.900 -0.848 1.00 1.12 H new ATOM 579 N LYS A 39 1.023 10.706 4.964 1.00 0.21 N ATOM 580 CA LYS A 39 0.608 9.477 5.684 1.00 0.15 C ATOM 581 C LYS A 39 -0.676 9.701 6.511 1.00 0.13 C ATOM 582 O LYS A 39 -1.545 8.868 6.519 1.00 0.24 O ATOM 583 CB LYS A 39 1.733 9.036 6.602 1.00 0.35 C ATOM 584 CG LYS A 39 2.199 7.642 6.173 1.00 1.16 C ATOM 585 CD LYS A 39 3.316 7.169 7.101 1.00 1.45 C ATOM 586 CE LYS A 39 3.529 5.670 6.896 1.00 2.07 C ATOM 587 NZ LYS A 39 4.746 5.208 7.622 1.00 2.43 N ATOM 0 H LYS A 39 1.886 11.135 5.299 1.00 0.21 H new ATOM 0 HA LYS A 39 0.394 8.706 4.944 1.00 0.15 H new ATOM 0 HB2 LYS A 39 2.561 9.743 6.552 1.00 0.35 H new ATOM 0 HB3 LYS A 39 1.391 9.018 7.637 1.00 0.35 H new ATOM 0 HG2 LYS A 39 1.364 6.942 6.206 1.00 1.16 H new ATOM 0 HG3 LYS A 39 2.554 7.667 5.143 1.00 1.16 H new ATOM 0 HD2 LYS A 39 4.237 7.713 6.890 1.00 1.45 H new ATOM 0 HD3 LYS A 39 3.055 7.374 8.139 1.00 1.45 H new ATOM 0 HE2 LYS A 39 2.657 5.121 7.252 1.00 2.07 H new ATOM 0 HE3 LYS A 39 3.630 5.454 5.832 1.00 2.07 H new ATOM 0 HZ1 LYS A 39 5.499 4.995 6.937 1.00 2.43 H new ATOM 0 HZ2 LYS A 39 5.068 5.955 8.270 1.00 2.43 H new ATOM 0 HZ3 LYS A 39 4.521 4.351 8.167 1.00 2.43 H new ATOM 601 N PRO A 40 -0.778 10.824 7.202 1.00 0.24 N ATOM 602 CA PRO A 40 -1.969 11.094 8.014 1.00 0.47 C ATOM 603 C PRO A 40 -3.229 11.083 7.136 1.00 0.57 C ATOM 604 O PRO A 40 -4.331 11.242 7.624 1.00 0.75 O ATOM 605 CB PRO A 40 -1.728 12.473 8.637 1.00 0.57 C ATOM 606 CG PRO A 40 -0.262 12.877 8.296 1.00 0.43 C ATOM 607 CD PRO A 40 0.246 11.884 7.237 1.00 0.18 C ATOM 0 HA PRO A 40 -2.128 10.337 8.782 1.00 0.47 H new ATOM 0 HB2 PRO A 40 -2.432 13.204 8.239 1.00 0.57 H new ATOM 0 HB3 PRO A 40 -1.878 12.440 9.716 1.00 0.57 H new ATOM 0 HG2 PRO A 40 -0.222 13.898 7.917 1.00 0.43 H new ATOM 0 HG3 PRO A 40 0.364 12.843 9.188 1.00 0.43 H new ATOM 0 HD2 PRO A 40 0.355 12.363 6.264 1.00 0.18 H new ATOM 0 HD3 PRO A 40 1.223 11.483 7.506 1.00 0.18 H new ATOM 615 N PHE A 41 -3.028 10.887 5.855 1.00 0.49 N ATOM 616 CA PHE A 41 -4.190 10.839 4.915 1.00 0.67 C ATOM 617 C PHE A 41 -4.456 9.384 4.495 1.00 0.58 C ATOM 618 O PHE A 41 -5.569 8.906 4.580 1.00 0.71 O ATOM 619 CB PHE A 41 -3.867 11.681 3.681 1.00 0.77 C ATOM 620 CG PHE A 41 -3.869 13.161 4.064 1.00 0.87 C ATOM 621 CD1 PHE A 41 -2.752 13.736 4.643 1.00 0.74 C ATOM 622 CD2 PHE A 41 -4.986 13.945 3.835 1.00 1.10 C ATOM 623 CE1 PHE A 41 -2.753 15.072 4.989 1.00 0.85 C ATOM 624 CE2 PHE A 41 -4.985 15.280 4.182 1.00 1.21 C ATOM 625 CZ PHE A 41 -3.869 15.843 4.757 1.00 1.08 C ATOM 0 H PHE A 41 -2.113 10.759 5.422 1.00 0.49 H new ATOM 0 HA PHE A 41 -5.078 11.235 5.407 1.00 0.67 H new ATOM 0 HB2 PHE A 41 -2.894 11.399 3.279 1.00 0.77 H new ATOM 0 HB3 PHE A 41 -4.602 11.495 2.898 1.00 0.77 H new ATOM 0 HD1 PHE A 41 -1.873 13.135 4.826 1.00 0.74 H new ATOM 0 HD2 PHE A 41 -5.864 13.509 3.382 1.00 1.10 H new ATOM 0 HE1 PHE A 41 -1.877 15.513 5.442 1.00 0.85 H new ATOM 0 HE2 PHE A 41 -5.862 15.884 4.002 1.00 1.21 H new ATOM 0 HZ PHE A 41 -3.869 16.889 5.026 1.00 1.08 H new ATOM 635 N PHE A 42 -3.421 8.714 4.046 1.00 0.38 N ATOM 636 CA PHE A 42 -3.584 7.281 3.631 1.00 0.30 C ATOM 637 C PHE A 42 -3.615 6.392 4.876 1.00 0.16 C ATOM 638 O PHE A 42 -4.307 5.394 4.922 1.00 0.21 O ATOM 639 CB PHE A 42 -2.394 6.876 2.752 1.00 0.34 C ATOM 640 CG PHE A 42 -2.464 5.372 2.449 1.00 0.29 C ATOM 641 CD1 PHE A 42 -3.356 4.892 1.508 1.00 0.31 C ATOM 642 CD2 PHE A 42 -1.634 4.472 3.110 1.00 0.27 C ATOM 643 CE1 PHE A 42 -3.421 3.541 1.232 1.00 0.28 C ATOM 644 CE2 PHE A 42 -1.706 3.123 2.831 1.00 0.28 C ATOM 645 CZ PHE A 42 -2.597 2.659 1.893 1.00 0.27 C ATOM 0 H PHE A 42 -2.478 9.092 3.949 1.00 0.38 H new ATOM 0 HA PHE A 42 -4.514 7.163 3.075 1.00 0.30 H new ATOM 0 HB2 PHE A 42 -2.405 7.445 1.822 1.00 0.34 H new ATOM 0 HB3 PHE A 42 -1.458 7.112 3.259 1.00 0.34 H new ATOM 0 HD1 PHE A 42 -4.006 5.578 0.986 1.00 0.31 H new ATOM 0 HD2 PHE A 42 -0.930 4.832 3.845 1.00 0.27 H new ATOM 0 HE1 PHE A 42 -4.121 3.175 0.495 1.00 0.28 H new ATOM 0 HE2 PHE A 42 -1.061 2.430 3.351 1.00 0.28 H new ATOM 0 HZ PHE A 42 -2.650 1.603 1.675 1.00 0.27 H new ATOM 655 N HIS A 43 -2.853 6.785 5.850 1.00 0.16 N ATOM 656 CA HIS A 43 -2.791 6.005 7.118 1.00 0.32 C ATOM 657 C HIS A 43 -4.041 6.273 7.970 1.00 0.46 C ATOM 658 O HIS A 43 -4.292 5.586 8.940 1.00 0.62 O ATOM 659 CB HIS A 43 -1.541 6.440 7.888 1.00 0.43 C ATOM 660 CG HIS A 43 -1.223 5.416 8.974 1.00 0.59 C ATOM 661 ND1 HIS A 43 -2.007 4.523 9.369 1.00 0.65 N ATOM 662 CD2 HIS A 43 -0.067 5.247 9.718 1.00 0.71 C ATOM 663 CE1 HIS A 43 -1.478 3.812 10.278 1.00 0.79 C ATOM 664 NE2 HIS A 43 -0.235 4.201 10.567 1.00 0.84 N ATOM 0 H HIS A 43 -2.265 7.618 5.826 1.00 0.16 H new ATOM 0 HA HIS A 43 -2.749 4.939 6.894 1.00 0.32 H new ATOM 0 HB2 HIS A 43 -0.696 6.535 7.206 1.00 0.43 H new ATOM 0 HB3 HIS A 43 -1.701 7.421 8.335 1.00 0.43 H new ATOM 0 HD1 HIS A 43 -2.950 4.385 9.007 1.00 0.65 H new ATOM 0 HD2 HIS A 43 0.825 5.850 9.636 1.00 0.71 H new ATOM 0 HE1 HIS A 43 -1.977 2.986 10.762 1.00 0.79 H new ATOM 672 N SER A 44 -4.797 7.271 7.588 1.00 0.45 N ATOM 673 CA SER A 44 -6.033 7.597 8.365 1.00 0.62 C ATOM 674 C SER A 44 -7.215 6.774 7.851 1.00 0.62 C ATOM 675 O SER A 44 -8.235 6.670 8.503 1.00 0.77 O ATOM 676 CB SER A 44 -6.344 9.086 8.215 1.00 0.72 C ATOM 677 OG SER A 44 -6.126 9.350 6.837 1.00 1.03 O ATOM 0 H SER A 44 -4.616 7.868 6.781 1.00 0.45 H new ATOM 0 HA SER A 44 -5.868 7.357 9.415 1.00 0.62 H new ATOM 0 HB2 SER A 44 -7.370 9.310 8.506 1.00 0.72 H new ATOM 0 HB3 SER A 44 -5.694 9.694 8.845 1.00 0.72 H new ATOM 0 HG SER A 44 -6.256 8.527 6.322 1.00 1.03 H new ATOM 683 N LEU A 45 -7.053 6.207 6.691 1.00 0.46 N ATOM 684 CA LEU A 45 -8.157 5.382 6.118 1.00 0.46 C ATOM 685 C LEU A 45 -8.287 4.073 6.901 1.00 0.45 C ATOM 686 O LEU A 45 -9.222 3.320 6.711 1.00 0.46 O ATOM 687 CB LEU A 45 -7.845 5.073 4.654 1.00 0.38 C ATOM 688 CG LEU A 45 -7.475 6.370 3.933 1.00 0.44 C ATOM 689 CD1 LEU A 45 -7.166 6.063 2.466 1.00 0.37 C ATOM 690 CD2 LEU A 45 -8.654 7.343 4.003 1.00 0.68 C ATOM 0 H LEU A 45 -6.213 6.276 6.117 1.00 0.46 H new ATOM 0 HA LEU A 45 -9.095 5.933 6.186 1.00 0.46 H new ATOM 0 HB2 LEU A 45 -7.024 4.359 4.588 1.00 0.38 H new ATOM 0 HB3 LEU A 45 -8.708 4.611 4.176 1.00 0.38 H new ATOM 0 HG LEU A 45 -6.601 6.815 4.409 1.00 0.44 H new ATOM 0 HD11 LEU A 45 -6.902 6.986 1.949 1.00 0.37 H new ATOM 0 HD12 LEU A 45 -6.332 5.363 2.409 1.00 0.37 H new ATOM 0 HD13 LEU A 45 -8.044 5.621 1.994 1.00 0.37 H new ATOM 0 HD21 LEU A 45 -8.393 8.268 3.490 1.00 0.68 H new ATOM 0 HD22 LEU A 45 -9.524 6.895 3.523 1.00 0.68 H new ATOM 0 HD23 LEU A 45 -8.886 7.559 5.046 1.00 0.68 H new ATOM 702 N SER A 46 -7.342 3.834 7.766 1.00 0.44 N ATOM 703 CA SER A 46 -7.383 2.582 8.576 1.00 0.48 C ATOM 704 C SER A 46 -8.747 2.434 9.262 1.00 0.55 C ATOM 705 O SER A 46 -9.197 1.334 9.517 1.00 0.64 O ATOM 706 CB SER A 46 -6.287 2.642 9.638 1.00 0.48 C ATOM 707 OG SER A 46 -6.988 2.540 10.869 1.00 1.01 O ATOM 0 H SER A 46 -6.547 4.446 7.948 1.00 0.44 H new ATOM 0 HA SER A 46 -7.225 1.726 7.920 1.00 0.48 H new ATOM 0 HB2 SER A 46 -5.572 1.828 9.518 1.00 0.48 H new ATOM 0 HB3 SER A 46 -5.724 3.573 9.577 1.00 0.48 H new ATOM 0 HG SER A 46 -6.350 2.569 11.612 1.00 1.01 H new ATOM 713 N GLU A 47 -9.373 3.549 9.542 1.00 0.52 N ATOM 714 CA GLU A 47 -10.706 3.503 10.220 1.00 0.60 C ATOM 715 C GLU A 47 -11.829 3.827 9.228 1.00 0.54 C ATOM 716 O GLU A 47 -12.876 3.211 9.250 1.00 0.56 O ATOM 717 CB GLU A 47 -10.721 4.529 11.351 1.00 0.73 C ATOM 718 CG GLU A 47 -10.001 3.944 12.568 1.00 0.94 C ATOM 719 CD GLU A 47 -10.890 2.884 13.219 1.00 2.18 C ATOM 720 OE1 GLU A 47 -12.076 3.153 13.309 1.00 2.54 O ATOM 721 OE2 GLU A 47 -10.333 1.863 13.590 1.00 3.03 O ATOM 0 H GLU A 47 -9.023 4.484 9.333 1.00 0.52 H new ATOM 0 HA GLU A 47 -10.869 2.500 10.615 1.00 0.60 H new ATOM 0 HB2 GLU A 47 -10.231 5.449 11.031 1.00 0.73 H new ATOM 0 HB3 GLU A 47 -11.748 4.788 11.610 1.00 0.73 H new ATOM 0 HG2 GLU A 47 -9.051 3.503 12.266 1.00 0.94 H new ATOM 0 HG3 GLU A 47 -9.772 4.733 13.284 1.00 0.94 H new ATOM 728 N LYS A 48 -11.589 4.788 8.381 1.00 0.50 N ATOM 729 CA LYS A 48 -12.638 5.169 7.390 1.00 0.46 C ATOM 730 C LYS A 48 -13.036 3.961 6.533 1.00 0.36 C ATOM 731 O LYS A 48 -14.162 3.508 6.580 1.00 0.32 O ATOM 732 CB LYS A 48 -12.096 6.274 6.489 1.00 0.50 C ATOM 733 CG LYS A 48 -13.222 7.262 6.169 1.00 0.61 C ATOM 734 CD LYS A 48 -14.330 6.538 5.396 1.00 1.70 C ATOM 735 CE LYS A 48 -15.299 7.573 4.823 1.00 1.58 C ATOM 736 NZ LYS A 48 -16.354 6.904 4.012 1.00 3.14 N ATOM 0 H LYS A 48 -10.722 5.323 8.330 1.00 0.50 H new ATOM 0 HA LYS A 48 -13.520 5.521 7.926 1.00 0.46 H new ATOM 0 HB2 LYS A 48 -11.272 6.790 6.982 1.00 0.50 H new ATOM 0 HB3 LYS A 48 -11.699 5.847 5.568 1.00 0.50 H new ATOM 0 HG2 LYS A 48 -13.623 7.685 7.090 1.00 0.61 H new ATOM 0 HG3 LYS A 48 -12.835 8.093 5.579 1.00 0.61 H new ATOM 0 HD2 LYS A 48 -13.899 5.941 4.592 1.00 1.70 H new ATOM 0 HD3 LYS A 48 -14.861 5.850 6.055 1.00 1.70 H new ATOM 0 HE2 LYS A 48 -15.759 8.138 5.634 1.00 1.58 H new ATOM 0 HE3 LYS A 48 -14.755 8.287 4.205 1.00 1.58 H new ATOM 0 HZ1 LYS A 48 -17.004 7.620 3.630 1.00 3.14 H new ATOM 0 HZ2 LYS A 48 -15.911 6.384 3.227 1.00 3.14 H new ATOM 0 HZ3 LYS A 48 -16.884 6.240 4.612 1.00 3.14 H new ATOM 750 N TYR A 49 -12.101 3.466 5.770 1.00 0.34 N ATOM 751 CA TYR A 49 -12.410 2.293 4.900 1.00 0.29 C ATOM 752 C TYR A 49 -12.067 0.987 5.626 1.00 0.35 C ATOM 753 O TYR A 49 -11.328 0.165 5.122 1.00 0.79 O ATOM 754 CB TYR A 49 -11.588 2.404 3.617 1.00 0.28 C ATOM 755 CG TYR A 49 -12.302 3.347 2.648 1.00 0.29 C ATOM 756 CD1 TYR A 49 -13.354 2.894 1.878 1.00 0.28 C ATOM 757 CD2 TYR A 49 -11.905 4.663 2.530 1.00 0.35 C ATOM 758 CE1 TYR A 49 -14.000 3.744 1.004 1.00 0.33 C ATOM 759 CE2 TYR A 49 -12.551 5.514 1.655 1.00 0.44 C ATOM 760 CZ TYR A 49 -13.603 5.060 0.885 1.00 0.43 C ATOM 761 OH TYR A 49 -14.248 5.909 0.010 1.00 0.53 O ATOM 0 H TYR A 49 -11.145 3.817 5.710 1.00 0.34 H new ATOM 0 HA TYR A 49 -13.474 2.286 4.662 1.00 0.29 H new ATOM 0 HB2 TYR A 49 -10.590 2.780 3.841 1.00 0.28 H new ATOM 0 HB3 TYR A 49 -11.464 1.421 3.163 1.00 0.28 H new ATOM 0 HD1 TYR A 49 -13.674 1.866 1.960 1.00 0.28 H new ATOM 0 HD2 TYR A 49 -11.083 5.030 3.126 1.00 0.35 H new ATOM 0 HE1 TYR A 49 -14.823 3.376 0.409 1.00 0.33 H new ATOM 0 HE2 TYR A 49 -12.231 6.542 1.573 1.00 0.44 H new ATOM 0 HH TYR A 49 -13.839 6.798 0.056 1.00 0.53 H new ATOM 771 N SER A 50 -12.616 0.823 6.797 1.00 0.90 N ATOM 772 CA SER A 50 -12.332 -0.420 7.569 1.00 0.92 C ATOM 773 C SER A 50 -12.719 -1.653 6.747 1.00 0.77 C ATOM 774 O SER A 50 -12.467 -2.772 7.146 1.00 0.72 O ATOM 775 CB SER A 50 -13.139 -0.399 8.866 1.00 1.13 C ATOM 776 OG SER A 50 -14.489 -0.493 8.437 1.00 1.15 O ATOM 0 H SER A 50 -13.243 1.488 7.250 1.00 0.90 H new ATOM 0 HA SER A 50 -11.267 -0.467 7.795 1.00 0.92 H new ATOM 0 HB2 SER A 50 -12.869 -1.231 9.517 1.00 1.13 H new ATOM 0 HB3 SER A 50 -12.963 0.517 9.430 1.00 1.13 H new ATOM 0 HG SER A 50 -15.081 -0.488 9.218 1.00 1.15 H new ATOM 782 N ASN A 51 -13.324 -1.421 5.615 1.00 0.73 N ATOM 783 CA ASN A 51 -13.735 -2.568 4.756 1.00 0.64 C ATOM 784 C ASN A 51 -12.574 -2.992 3.852 1.00 0.57 C ATOM 785 O ASN A 51 -12.451 -4.148 3.498 1.00 1.05 O ATOM 786 CB ASN A 51 -14.924 -2.149 3.893 1.00 0.76 C ATOM 787 CG ASN A 51 -15.375 -3.338 3.042 1.00 0.75 C ATOM 788 OD1 ASN A 51 -15.932 -4.297 3.539 1.00 0.94 O ATOM 789 ND2 ASN A 51 -15.153 -3.318 1.756 1.00 1.62 N ATOM 0 H ASN A 51 -13.550 -0.496 5.250 1.00 0.73 H new ATOM 0 HA ASN A 51 -14.015 -3.409 5.391 1.00 0.64 H new ATOM 0 HB2 ASN A 51 -15.744 -1.807 4.525 1.00 0.76 H new ATOM 0 HB3 ASN A 51 -14.646 -1.313 3.252 1.00 0.76 H new ATOM 0 HD21 ASN A 51 -15.446 -4.104 1.176 1.00 1.62 H new ATOM 0 HD22 ASN A 51 -14.686 -2.517 1.331 1.00 1.62 H new ATOM 796 N VAL A 52 -11.747 -2.047 3.503 1.00 0.35 N ATOM 797 CA VAL A 52 -10.589 -2.374 2.621 1.00 0.19 C ATOM 798 C VAL A 52 -9.328 -2.573 3.461 1.00 0.18 C ATOM 799 O VAL A 52 -9.197 -2.006 4.530 1.00 0.26 O ATOM 800 CB VAL A 52 -10.371 -1.223 1.640 1.00 0.23 C ATOM 801 CG1 VAL A 52 -9.384 -1.662 0.556 1.00 0.28 C ATOM 802 CG2 VAL A 52 -11.702 -0.861 0.989 1.00 0.21 C ATOM 0 H VAL A 52 -11.820 -1.070 3.787 1.00 0.35 H new ATOM 0 HA VAL A 52 -10.798 -3.294 2.076 1.00 0.19 H new ATOM 0 HB VAL A 52 -9.972 -0.359 2.171 1.00 0.23 H new ATOM 0 HG11 VAL A 52 -9.226 -0.843 -0.146 1.00 0.28 H new ATOM 0 HG12 VAL A 52 -8.434 -1.933 1.017 1.00 0.28 H new ATOM 0 HG13 VAL A 52 -9.788 -2.523 0.024 1.00 0.28 H new ATOM 0 HG21 VAL A 52 -11.553 -0.040 0.288 1.00 0.21 H new ATOM 0 HG22 VAL A 52 -12.094 -1.727 0.456 1.00 0.21 H new ATOM 0 HG23 VAL A 52 -12.412 -0.557 1.758 1.00 0.21 H new ATOM 812 N ILE A 53 -8.429 -3.375 2.964 1.00 0.08 N ATOM 813 CA ILE A 53 -7.171 -3.619 3.723 1.00 0.09 C ATOM 814 C ILE A 53 -6.067 -2.692 3.211 1.00 0.09 C ATOM 815 O ILE A 53 -5.921 -2.496 2.017 1.00 0.11 O ATOM 816 CB ILE A 53 -6.740 -5.072 3.540 1.00 0.12 C ATOM 817 CG1 ILE A 53 -7.724 -5.991 4.281 1.00 0.13 C ATOM 818 CG2 ILE A 53 -5.341 -5.250 4.131 1.00 0.31 C ATOM 819 CD1 ILE A 53 -9.112 -5.885 3.638 1.00 1.07 C ATOM 0 H ILE A 53 -8.509 -3.868 2.074 1.00 0.08 H new ATOM 0 HA ILE A 53 -7.346 -3.419 4.780 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.732 -5.327 2.480 1.00 0.12 H new ATOM 0 HG12 ILE A 53 -7.373 -7.022 4.243 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.777 -5.711 5.333 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.022 -6.285 4.006 1.00 0.31 H new ATOM 0 HG22 ILE A 53 -4.642 -4.590 3.617 1.00 0.31 H new ATOM 0 HG23 ILE A 53 -5.360 -5.002 5.192 1.00 0.31 H new ATOM 0 HD11 ILE A 53 -9.808 -6.538 4.165 1.00 1.07 H new ATOM 0 HD12 ILE A 53 -9.463 -4.855 3.699 1.00 1.07 H new ATOM 0 HD13 ILE A 53 -9.053 -6.187 2.592 1.00 1.07 H new ATOM 831 N PHE A 54 -5.311 -2.145 4.131 1.00 0.08 N ATOM 832 CA PHE A 54 -4.209 -1.216 3.732 1.00 0.08 C ATOM 833 C PHE A 54 -2.876 -1.680 4.316 1.00 0.07 C ATOM 834 O PHE A 54 -2.814 -2.145 5.436 1.00 0.08 O ATOM 835 CB PHE A 54 -4.520 0.179 4.263 1.00 0.10 C ATOM 836 CG PHE A 54 -5.847 0.655 3.685 1.00 0.07 C ATOM 837 CD1 PHE A 54 -7.030 0.391 4.347 1.00 0.06 C ATOM 838 CD2 PHE A 54 -5.885 1.357 2.494 1.00 0.09 C ATOM 839 CE1 PHE A 54 -8.232 0.821 3.825 1.00 0.04 C ATOM 840 CE2 PHE A 54 -7.086 1.787 1.974 1.00 0.08 C ATOM 841 CZ PHE A 54 -8.258 1.519 2.641 1.00 0.04 C ATOM 0 H PHE A 54 -5.408 -2.300 5.134 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.135 -1.205 2.645 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -4.569 0.163 5.352 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -3.723 0.870 3.990 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.014 -0.155 5.279 1.00 0.06 H new ATOM 0 HD2 PHE A 54 -4.966 1.570 1.968 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -9.154 0.609 4.347 1.00 0.04 H new ATOM 0 HE2 PHE A 54 -7.107 2.334 1.043 1.00 0.08 H new ATOM 0 HZ PHE A 54 -9.200 1.857 2.234 1.00 0.04 H new ATOM 851 N LEU A 55 -1.842 -1.549 3.531 1.00 0.14 N ATOM 852 CA LEU A 55 -0.486 -1.943 4.011 1.00 0.15 C ATOM 853 C LEU A 55 0.493 -0.794 3.765 1.00 0.16 C ATOM 854 O LEU A 55 0.272 0.039 2.906 1.00 0.23 O ATOM 855 CB LEU A 55 -0.001 -3.186 3.256 1.00 0.11 C ATOM 856 CG LEU A 55 -1.183 -4.143 2.998 1.00 0.29 C ATOM 857 CD1 LEU A 55 -2.059 -3.622 1.854 1.00 0.56 C ATOM 858 CD2 LEU A 55 -0.636 -5.511 2.601 1.00 0.17 C ATOM 0 H LEU A 55 -1.877 -1.186 2.578 1.00 0.14 H new ATOM 0 HA LEU A 55 -0.538 -2.167 5.077 1.00 0.15 H new ATOM 0 HB2 LEU A 55 0.453 -2.892 2.309 1.00 0.11 H new ATOM 0 HB3 LEU A 55 0.770 -3.695 3.835 1.00 0.11 H new ATOM 0 HG LEU A 55 -1.781 -4.212 3.906 1.00 0.29 H new ATOM 0 HD11 LEU A 55 -2.887 -4.311 1.687 1.00 0.56 H new ATOM 0 HD12 LEU A 55 -2.451 -2.639 2.115 1.00 0.56 H new ATOM 0 HD13 LEU A 55 -1.462 -3.545 0.945 1.00 0.56 H new ATOM 0 HD21 LEU A 55 -1.465 -6.195 2.417 1.00 0.17 H new ATOM 0 HD22 LEU A 55 -0.037 -5.414 1.696 1.00 0.17 H new ATOM 0 HD23 LEU A 55 -0.015 -5.902 3.407 1.00 0.17 H new ATOM 870 N GLU A 56 1.546 -0.778 4.525 1.00 0.24 N ATOM 871 CA GLU A 56 2.569 0.302 4.365 1.00 0.24 C ATOM 872 C GLU A 56 3.961 -0.332 4.288 1.00 0.23 C ATOM 873 O GLU A 56 4.489 -0.783 5.285 1.00 0.34 O ATOM 874 CB GLU A 56 2.504 1.234 5.571 1.00 0.27 C ATOM 875 CG GLU A 56 3.439 2.419 5.339 1.00 0.39 C ATOM 876 CD GLU A 56 4.459 2.488 6.478 1.00 1.08 C ATOM 877 OE1 GLU A 56 4.011 2.428 7.612 1.00 1.36 O ATOM 878 OE2 GLU A 56 5.629 2.596 6.150 1.00 2.24 O ATOM 0 H GLU A 56 1.749 -1.463 5.253 1.00 0.24 H new ATOM 0 HA GLU A 56 2.373 0.867 3.454 1.00 0.24 H new ATOM 0 HB2 GLU A 56 1.483 1.585 5.720 1.00 0.27 H new ATOM 0 HB3 GLU A 56 2.793 0.699 6.476 1.00 0.27 H new ATOM 0 HG2 GLU A 56 3.951 2.311 4.383 1.00 0.39 H new ATOM 0 HG3 GLU A 56 2.866 3.345 5.291 1.00 0.39 H new ATOM 885 N VAL A 57 4.529 -0.350 3.113 1.00 0.15 N ATOM 886 CA VAL A 57 5.880 -0.977 2.970 1.00 0.14 C ATOM 887 C VAL A 57 6.984 0.076 3.058 1.00 0.16 C ATOM 888 O VAL A 57 6.905 1.123 2.443 1.00 0.20 O ATOM 889 CB VAL A 57 5.973 -1.690 1.623 1.00 0.13 C ATOM 890 CG1 VAL A 57 7.387 -2.253 1.452 1.00 0.13 C ATOM 891 CG2 VAL A 57 4.966 -2.837 1.587 1.00 0.16 C ATOM 0 H VAL A 57 4.127 0.034 2.258 1.00 0.15 H new ATOM 0 HA VAL A 57 6.013 -1.691 3.782 1.00 0.14 H new ATOM 0 HB VAL A 57 5.755 -0.988 0.818 1.00 0.13 H new ATOM 0 HG11 VAL A 57 7.462 -2.764 0.492 1.00 0.13 H new ATOM 0 HG12 VAL A 57 8.110 -1.438 1.486 1.00 0.13 H new ATOM 0 HG13 VAL A 57 7.597 -2.959 2.256 1.00 0.13 H new ATOM 0 HG21 VAL A 57 5.030 -3.348 0.626 1.00 0.16 H new ATOM 0 HG22 VAL A 57 5.188 -3.542 2.388 1.00 0.16 H new ATOM 0 HG23 VAL A 57 3.959 -2.442 1.721 1.00 0.16 H new ATOM 901 N ASP A 58 7.993 -0.232 3.827 1.00 0.16 N ATOM 902 CA ASP A 58 9.130 0.716 3.969 1.00 0.16 C ATOM 903 C ASP A 58 10.273 0.287 3.045 1.00 0.10 C ATOM 904 O ASP A 58 10.850 -0.769 3.217 1.00 0.14 O ATOM 905 CB ASP A 58 9.610 0.702 5.419 1.00 0.23 C ATOM 906 CG ASP A 58 10.612 1.838 5.637 1.00 0.24 C ATOM 907 OD1 ASP A 58 10.676 2.680 4.758 1.00 1.23 O ATOM 908 OD2 ASP A 58 11.257 1.797 6.672 1.00 0.77 O ATOM 0 H ASP A 58 8.077 -1.097 4.361 1.00 0.16 H new ATOM 0 HA ASP A 58 8.809 1.722 3.697 1.00 0.16 H new ATOM 0 HB2 ASP A 58 8.762 0.816 6.095 1.00 0.23 H new ATOM 0 HB3 ASP A 58 10.075 -0.256 5.650 1.00 0.23 H new ATOM 913 N VAL A 59 10.577 1.112 2.084 1.00 0.09 N ATOM 914 CA VAL A 59 11.674 0.760 1.134 1.00 0.12 C ATOM 915 C VAL A 59 13.045 0.892 1.816 1.00 0.12 C ATOM 916 O VAL A 59 14.032 1.178 1.168 1.00 0.06 O ATOM 917 CB VAL A 59 11.610 1.701 -0.064 1.00 0.20 C ATOM 918 CG1 VAL A 59 10.273 1.507 -0.784 1.00 0.16 C ATOM 919 CG2 VAL A 59 11.713 3.144 0.429 1.00 0.24 C ATOM 0 H VAL A 59 10.120 2.008 1.914 1.00 0.09 H new ATOM 0 HA VAL A 59 11.547 -0.273 0.810 1.00 0.12 H new ATOM 0 HB VAL A 59 12.430 1.486 -0.749 1.00 0.20 H new ATOM 0 HG11 VAL A 59 10.221 2.177 -1.642 1.00 0.16 H new ATOM 0 HG12 VAL A 59 10.189 0.475 -1.124 1.00 0.16 H new ATOM 0 HG13 VAL A 59 9.455 1.730 -0.099 1.00 0.16 H new ATOM 0 HG21 VAL A 59 11.668 3.823 -0.422 1.00 0.24 H new ATOM 0 HG22 VAL A 59 10.887 3.357 1.107 1.00 0.24 H new ATOM 0 HG23 VAL A 59 12.658 3.282 0.954 1.00 0.24 H new ATOM 929 N ASP A 60 13.068 0.676 3.109 1.00 0.19 N ATOM 930 CA ASP A 60 14.359 0.779 3.860 1.00 0.20 C ATOM 931 C ASP A 60 14.721 -0.578 4.471 1.00 0.23 C ATOM 932 O ASP A 60 15.824 -1.063 4.303 1.00 0.27 O ATOM 933 CB ASP A 60 14.206 1.813 4.973 1.00 0.19 C ATOM 934 CG ASP A 60 15.560 2.032 5.651 1.00 0.31 C ATOM 935 OD1 ASP A 60 16.545 1.937 4.936 1.00 1.07 O ATOM 936 OD2 ASP A 60 15.534 2.281 6.845 1.00 1.49 O ATOM 0 H ASP A 60 12.254 0.434 3.674 1.00 0.19 H new ATOM 0 HA ASP A 60 15.152 1.082 3.176 1.00 0.20 H new ATOM 0 HB2 ASP A 60 13.836 2.753 4.563 1.00 0.19 H new ATOM 0 HB3 ASP A 60 13.472 1.472 5.703 1.00 0.19 H new ATOM 941 N ASP A 61 13.780 -1.162 5.170 1.00 0.22 N ATOM 942 CA ASP A 61 14.044 -2.491 5.806 1.00 0.26 C ATOM 943 C ASP A 61 13.368 -3.606 5.000 1.00 0.28 C ATOM 944 O ASP A 61 13.415 -4.761 5.378 1.00 0.56 O ATOM 945 CB ASP A 61 13.485 -2.483 7.227 1.00 0.24 C ATOM 946 CG ASP A 61 13.823 -3.809 7.910 1.00 0.27 C ATOM 947 OD1 ASP A 61 14.896 -4.310 7.618 1.00 1.35 O ATOM 948 OD2 ASP A 61 12.989 -4.246 8.686 1.00 1.38 O ATOM 0 H ASP A 61 12.847 -0.780 5.328 1.00 0.22 H new ATOM 0 HA ASP A 61 15.119 -2.672 5.828 1.00 0.26 H new ATOM 0 HB2 ASP A 61 13.907 -1.652 7.792 1.00 0.24 H new ATOM 0 HB3 ASP A 61 12.405 -2.337 7.205 1.00 0.24 H new ATOM 953 N CYS A 62 12.752 -3.232 3.908 1.00 0.17 N ATOM 954 CA CYS A 62 12.062 -4.251 3.056 1.00 0.16 C ATOM 955 C CYS A 62 12.431 -4.043 1.583 1.00 0.18 C ATOM 956 O CYS A 62 11.591 -4.142 0.709 1.00 0.14 O ATOM 957 CB CYS A 62 10.551 -4.101 3.229 1.00 0.15 C ATOM 958 SG CYS A 62 9.939 -3.705 4.886 1.00 0.14 S ATOM 0 H CYS A 62 12.696 -2.271 3.570 1.00 0.17 H new ATOM 0 HA CYS A 62 12.375 -5.250 3.360 1.00 0.16 H new ATOM 0 HB2 CYS A 62 10.210 -3.321 2.548 1.00 0.15 H new ATOM 0 HB3 CYS A 62 10.081 -5.031 2.909 1.00 0.15 H new ATOM 0 HG CYS A 62 8.643 -3.611 4.859 1.00 0.14 H new ATOM 964 N GLN A 63 13.682 -3.758 1.340 1.00 0.28 N ATOM 965 CA GLN A 63 14.125 -3.537 -0.065 1.00 0.31 C ATOM 966 C GLN A 63 13.788 -4.756 -0.928 1.00 0.25 C ATOM 967 O GLN A 63 13.794 -4.681 -2.141 1.00 0.23 O ATOM 968 CB GLN A 63 15.636 -3.303 -0.087 1.00 0.45 C ATOM 969 CG GLN A 63 16.054 -2.572 1.191 1.00 0.64 C ATOM 970 CD GLN A 63 16.389 -3.599 2.275 1.00 2.34 C ATOM 971 OE1 GLN A 63 15.762 -3.647 3.315 1.00 3.64 O ATOM 972 NE2 GLN A 63 17.368 -4.437 2.072 1.00 2.86 N ATOM 0 H GLN A 63 14.411 -3.669 2.048 1.00 0.28 H new ATOM 0 HA GLN A 63 13.607 -2.666 -0.467 1.00 0.31 H new ATOM 0 HB2 GLN A 63 16.162 -4.255 -0.164 1.00 0.45 H new ATOM 0 HB3 GLN A 63 15.912 -2.715 -0.963 1.00 0.45 H new ATOM 0 HG2 GLN A 63 16.919 -1.938 0.995 1.00 0.64 H new ATOM 0 HG3 GLN A 63 15.250 -1.918 1.529 1.00 0.64 H new ATOM 0 HE21 GLN A 63 17.898 -4.401 1.201 1.00 2.86 H new ATOM 0 HE22 GLN A 63 17.604 -5.128 2.784 1.00 2.86 H new ATOM 981 N ASP A 64 13.501 -5.850 -0.284 1.00 0.26 N ATOM 982 CA ASP A 64 13.165 -7.080 -1.045 1.00 0.29 C ATOM 983 C ASP A 64 11.800 -6.928 -1.705 1.00 0.22 C ATOM 984 O ASP A 64 11.671 -7.010 -2.910 1.00 0.33 O ATOM 985 CB ASP A 64 13.138 -8.271 -0.089 1.00 0.38 C ATOM 986 CG ASP A 64 12.292 -7.917 1.136 1.00 0.44 C ATOM 987 OD1 ASP A 64 12.723 -7.029 1.852 1.00 0.53 O ATOM 988 OD2 ASP A 64 11.262 -8.554 1.285 1.00 1.22 O ATOM 0 H ASP A 64 13.485 -5.945 0.731 1.00 0.26 H new ATOM 0 HA ASP A 64 13.917 -7.242 -1.817 1.00 0.29 H new ATOM 0 HB2 ASP A 64 12.724 -9.146 -0.591 1.00 0.38 H new ATOM 0 HB3 ASP A 64 14.152 -8.529 0.217 1.00 0.38 H new ATOM 993 N VAL A 65 10.817 -6.708 -0.895 1.00 0.31 N ATOM 994 CA VAL A 65 9.446 -6.542 -1.431 1.00 0.23 C ATOM 995 C VAL A 65 9.422 -5.432 -2.475 1.00 0.18 C ATOM 996 O VAL A 65 8.818 -5.568 -3.520 1.00 0.16 O ATOM 997 CB VAL A 65 8.513 -6.199 -0.290 1.00 0.16 C ATOM 998 CG1 VAL A 65 7.067 -6.442 -0.726 1.00 0.17 C ATOM 999 CG2 VAL A 65 8.837 -7.092 0.907 1.00 0.15 C ATOM 0 H VAL A 65 10.901 -6.635 0.119 1.00 0.31 H new ATOM 0 HA VAL A 65 9.124 -7.469 -1.905 1.00 0.23 H new ATOM 0 HB VAL A 65 8.639 -5.152 -0.014 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.393 -6.196 0.095 1.00 0.17 H new ATOM 0 HG12 VAL A 65 6.836 -5.814 -1.586 1.00 0.17 H new ATOM 0 HG13 VAL A 65 6.940 -7.490 -0.997 1.00 0.17 H new ATOM 0 HG21 VAL A 65 8.168 -6.850 1.733 1.00 0.15 H new ATOM 0 HG22 VAL A 65 8.705 -8.137 0.627 1.00 0.15 H new ATOM 0 HG23 VAL A 65 9.869 -6.927 1.216 1.00 0.15 H new ATOM 1009 N ALA A 66 10.080 -4.358 -2.170 1.00 0.18 N ATOM 1010 CA ALA A 66 10.119 -3.229 -3.134 1.00 0.16 C ATOM 1011 C ALA A 66 10.741 -3.701 -4.441 1.00 0.21 C ATOM 1012 O ALA A 66 10.216 -3.462 -5.510 1.00 0.21 O ATOM 1013 CB ALA A 66 10.954 -2.091 -2.546 1.00 0.22 C ATOM 0 H ALA A 66 10.591 -4.210 -1.300 1.00 0.18 H new ATOM 0 HA ALA A 66 9.106 -2.873 -3.325 1.00 0.16 H new ATOM 0 HB1 ALA A 66 10.985 -1.260 -3.251 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.506 -1.756 -1.611 1.00 0.22 H new ATOM 0 HB3 ALA A 66 11.968 -2.444 -2.357 1.00 0.22 H new ATOM 1019 N SER A 67 11.850 -4.363 -4.321 1.00 0.26 N ATOM 1020 CA SER A 67 12.531 -4.880 -5.535 1.00 0.32 C ATOM 1021 C SER A 67 11.616 -5.873 -6.250 1.00 0.30 C ATOM 1022 O SER A 67 11.831 -6.213 -7.396 1.00 0.33 O ATOM 1023 CB SER A 67 13.829 -5.578 -5.128 1.00 0.43 C ATOM 1024 OG SER A 67 14.665 -4.523 -4.677 1.00 1.03 O ATOM 0 H SER A 67 12.316 -4.569 -3.437 1.00 0.26 H new ATOM 0 HA SER A 67 12.759 -4.053 -6.207 1.00 0.32 H new ATOM 0 HB2 SER A 67 13.656 -6.313 -4.342 1.00 0.43 H new ATOM 0 HB3 SER A 67 14.276 -6.109 -5.968 1.00 0.43 H new ATOM 0 HG SER A 67 14.486 -4.346 -3.730 1.00 1.03 H new ATOM 1030 N GLU A 68 10.611 -6.314 -5.549 1.00 0.27 N ATOM 1031 CA GLU A 68 9.658 -7.275 -6.155 1.00 0.30 C ATOM 1032 C GLU A 68 8.775 -6.544 -7.153 1.00 0.19 C ATOM 1033 O GLU A 68 8.407 -7.077 -8.182 1.00 0.19 O ATOM 1034 CB GLU A 68 8.796 -7.891 -5.055 1.00 0.38 C ATOM 1035 CG GLU A 68 8.349 -9.286 -5.487 1.00 0.36 C ATOM 1036 CD GLU A 68 7.473 -9.899 -4.392 1.00 1.49 C ATOM 1037 OE1 GLU A 68 6.336 -9.467 -4.306 1.00 2.42 O ATOM 1038 OE2 GLU A 68 7.991 -10.764 -3.705 1.00 2.00 O ATOM 0 H GLU A 68 10.410 -6.050 -4.584 1.00 0.27 H new ATOM 0 HA GLU A 68 10.205 -8.065 -6.669 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.360 -7.949 -4.124 1.00 0.38 H new ATOM 0 HB3 GLU A 68 7.927 -7.261 -4.862 1.00 0.38 H new ATOM 0 HG2 GLU A 68 7.794 -9.229 -6.423 1.00 0.36 H new ATOM 0 HG3 GLU A 68 9.218 -9.918 -5.670 1.00 0.36 H new ATOM 1045 N CYS A 69 8.453 -5.336 -6.818 1.00 0.11 N ATOM 1046 CA CYS A 69 7.607 -4.518 -7.726 1.00 0.11 C ATOM 1047 C CYS A 69 8.509 -3.720 -8.672 1.00 0.14 C ATOM 1048 O CYS A 69 8.040 -3.031 -9.554 1.00 0.26 O ATOM 1049 CB CYS A 69 6.755 -3.564 -6.888 1.00 0.18 C ATOM 1050 SG CYS A 69 5.337 -4.270 -6.014 1.00 0.32 S ATOM 0 H CYS A 69 8.737 -4.875 -5.954 1.00 0.11 H new ATOM 0 HA CYS A 69 6.954 -5.164 -8.314 1.00 0.11 H new ATOM 0 HB2 CYS A 69 7.404 -3.091 -6.151 1.00 0.18 H new ATOM 0 HB3 CYS A 69 6.388 -2.774 -7.544 1.00 0.18 H new ATOM 0 HG CYS A 69 5.303 -3.809 -4.799 1.00 0.32 H new ATOM 1056 N GLU A 70 9.794 -3.839 -8.458 1.00 0.16 N ATOM 1057 CA GLU A 70 10.761 -3.106 -9.325 1.00 0.29 C ATOM 1058 C GLU A 70 10.504 -1.600 -9.258 1.00 0.35 C ATOM 1059 O GLU A 70 10.480 -0.925 -10.268 1.00 0.45 O ATOM 1060 CB GLU A 70 10.607 -3.595 -10.768 1.00 0.32 C ATOM 1061 CG GLU A 70 11.978 -3.583 -11.456 1.00 1.05 C ATOM 1062 CD GLU A 70 12.670 -2.243 -11.197 1.00 2.79 C ATOM 1063 OE1 GLU A 70 12.237 -1.283 -11.812 1.00 3.22 O ATOM 1064 OE2 GLU A 70 13.594 -2.257 -10.400 1.00 3.99 O ATOM 0 H GLU A 70 10.213 -4.410 -7.724 1.00 0.16 H new ATOM 0 HA GLU A 70 11.775 -3.298 -8.974 1.00 0.29 H new ATOM 0 HB2 GLU A 70 10.190 -4.602 -10.780 1.00 0.32 H new ATOM 0 HB3 GLU A 70 9.910 -2.955 -11.309 1.00 0.32 H new ATOM 0 HG2 GLU A 70 12.593 -4.400 -11.079 1.00 1.05 H new ATOM 0 HG3 GLU A 70 11.860 -3.742 -12.528 1.00 1.05 H new ATOM 1071 N VAL A 71 10.317 -1.102 -8.068 1.00 0.30 N ATOM 1072 CA VAL A 71 10.063 0.361 -7.929 1.00 0.36 C ATOM 1073 C VAL A 71 11.374 1.119 -7.715 1.00 0.63 C ATOM 1074 O VAL A 71 12.340 0.572 -7.220 1.00 0.84 O ATOM 1075 CB VAL A 71 9.146 0.605 -6.737 1.00 0.14 C ATOM 1076 CG1 VAL A 71 8.106 1.656 -7.112 1.00 0.35 C ATOM 1077 CG2 VAL A 71 8.434 -0.699 -6.378 1.00 0.30 C ATOM 0 H VAL A 71 10.328 -1.634 -7.198 1.00 0.30 H new ATOM 0 HA VAL A 71 9.593 0.720 -8.845 1.00 0.36 H new ATOM 0 HB VAL A 71 9.731 0.953 -5.886 1.00 0.14 H new ATOM 0 HG11 VAL A 71 7.447 1.835 -6.263 1.00 0.35 H new ATOM 0 HG12 VAL A 71 8.608 2.585 -7.383 1.00 0.35 H new ATOM 0 HG13 VAL A 71 7.519 1.301 -7.959 1.00 0.35 H new ATOM 0 HG21 VAL A 71 7.776 -0.531 -5.525 1.00 0.30 H new ATOM 0 HG22 VAL A 71 7.845 -1.038 -7.230 1.00 0.30 H new ATOM 0 HG23 VAL A 71 9.173 -1.458 -6.122 1.00 0.30 H new ATOM 1087 N LYS A 72 11.374 2.365 -8.098 1.00 0.71 N ATOM 1088 CA LYS A 72 12.601 3.192 -7.921 1.00 1.01 C ATOM 1089 C LYS A 72 12.197 4.628 -7.575 1.00 0.85 C ATOM 1090 O LYS A 72 12.993 5.542 -7.665 1.00 1.09 O ATOM 1091 CB LYS A 72 13.407 3.187 -9.229 1.00 1.39 C ATOM 1092 CG LYS A 72 14.836 2.679 -8.973 1.00 1.90 C ATOM 1093 CD LYS A 72 15.627 3.745 -8.206 1.00 3.43 C ATOM 1094 CE LYS A 72 16.822 3.082 -7.518 1.00 4.25 C ATOM 1095 NZ LYS A 72 17.962 4.037 -7.413 1.00 5.17 N ATOM 0 H LYS A 72 10.582 2.845 -8.524 1.00 0.71 H new ATOM 0 HA LYS A 72 13.210 2.781 -7.116 1.00 1.01 H new ATOM 0 HB2 LYS A 72 12.914 2.552 -9.965 1.00 1.39 H new ATOM 0 HB3 LYS A 72 13.441 4.193 -9.647 1.00 1.39 H new ATOM 0 HG2 LYS A 72 14.807 1.751 -8.402 1.00 1.90 H new ATOM 0 HG3 LYS A 72 15.329 2.455 -9.919 1.00 1.90 H new ATOM 0 HD2 LYS A 72 15.970 4.523 -8.888 1.00 3.43 H new ATOM 0 HD3 LYS A 72 14.988 4.228 -7.467 1.00 3.43 H new ATOM 0 HE2 LYS A 72 16.533 2.741 -6.524 1.00 4.25 H new ATOM 0 HE3 LYS A 72 17.129 2.200 -8.080 1.00 4.25 H new ATOM 0 HZ1 LYS A 72 18.764 3.570 -6.944 1.00 5.17 H new ATOM 0 HZ2 LYS A 72 18.248 4.342 -8.365 1.00 5.17 H new ATOM 0 HZ3 LYS A 72 17.670 4.866 -6.857 1.00 5.17 H new ATOM 1109 N CYS A 73 10.961 4.788 -7.186 1.00 0.46 N ATOM 1110 CA CYS A 73 10.470 6.154 -6.832 1.00 0.28 C ATOM 1111 C CYS A 73 9.304 6.055 -5.851 1.00 0.24 C ATOM 1112 O CYS A 73 8.448 5.202 -5.985 1.00 0.47 O ATOM 1113 CB CYS A 73 10.010 6.864 -8.102 1.00 0.33 C ATOM 1114 SG CYS A 73 9.131 5.875 -9.338 1.00 0.57 S ATOM 0 H CYS A 73 10.274 4.040 -7.098 1.00 0.46 H new ATOM 0 HA CYS A 73 11.277 6.717 -6.364 1.00 0.28 H new ATOM 0 HB2 CYS A 73 9.363 7.691 -7.810 1.00 0.33 H new ATOM 0 HB3 CYS A 73 10.887 7.300 -8.581 1.00 0.33 H new ATOM 0 HG CYS A 73 8.811 6.628 -10.348 1.00 0.57 H new ATOM 1120 N THR A 74 9.305 6.935 -4.885 1.00 0.06 N ATOM 1121 CA THR A 74 8.214 6.930 -3.866 1.00 0.12 C ATOM 1122 C THR A 74 7.521 8.310 -3.854 1.00 0.20 C ATOM 1123 O THR A 74 8.123 9.299 -4.222 1.00 0.22 O ATOM 1124 CB THR A 74 8.848 6.658 -2.495 1.00 0.19 C ATOM 1125 OG1 THR A 74 10.058 7.410 -2.504 1.00 0.19 O ATOM 1126 CG2 THR A 74 9.286 5.203 -2.363 1.00 0.21 C ATOM 0 H THR A 74 10.014 7.657 -4.757 1.00 0.06 H new ATOM 0 HA THR A 74 7.474 6.164 -4.099 1.00 0.12 H new ATOM 0 HB THR A 74 8.142 6.901 -1.701 1.00 0.19 H new ATOM 0 HG1 THR A 74 10.525 7.288 -1.651 1.00 0.19 H new ATOM 0 HG21 THR A 74 9.731 5.045 -1.381 1.00 0.21 H new ATOM 0 HG22 THR A 74 8.421 4.551 -2.479 1.00 0.21 H new ATOM 0 HG23 THR A 74 10.020 4.973 -3.135 1.00 0.21 H new ATOM 1134 N PRO A 75 6.264 8.358 -3.430 1.00 0.25 N ATOM 1135 CA PRO A 75 5.479 7.183 -2.989 1.00 0.23 C ATOM 1136 C PRO A 75 4.934 6.410 -4.201 1.00 0.20 C ATOM 1137 O PRO A 75 4.670 6.989 -5.241 1.00 0.23 O ATOM 1138 CB PRO A 75 4.311 7.776 -2.201 1.00 0.30 C ATOM 1139 CG PRO A 75 4.293 9.308 -2.496 1.00 0.38 C ATOM 1140 CD PRO A 75 5.556 9.631 -3.319 1.00 0.35 C ATOM 0 HA PRO A 75 6.081 6.488 -2.404 1.00 0.23 H new ATOM 0 HB2 PRO A 75 3.370 7.315 -2.500 1.00 0.30 H new ATOM 0 HB3 PRO A 75 4.432 7.590 -1.134 1.00 0.30 H new ATOM 0 HG2 PRO A 75 3.394 9.583 -3.048 1.00 0.38 H new ATOM 0 HG3 PRO A 75 4.283 9.878 -1.567 1.00 0.38 H new ATOM 0 HD2 PRO A 75 5.298 10.027 -4.301 1.00 0.35 H new ATOM 0 HD3 PRO A 75 6.170 10.383 -2.823 1.00 0.35 H new ATOM 1148 N THR A 76 4.771 5.119 -4.035 1.00 0.17 N ATOM 1149 CA THR A 76 4.236 4.291 -5.155 1.00 0.17 C ATOM 1150 C THR A 76 3.098 3.408 -4.634 1.00 0.19 C ATOM 1151 O THR A 76 3.298 2.583 -3.768 1.00 0.25 O ATOM 1152 CB THR A 76 5.364 3.421 -5.713 1.00 0.14 C ATOM 1153 OG1 THR A 76 6.215 4.332 -6.404 1.00 0.14 O ATOM 1154 CG2 THR A 76 4.858 2.456 -6.782 1.00 0.26 C ATOM 0 H THR A 76 4.984 4.609 -3.178 1.00 0.17 H new ATOM 0 HA THR A 76 3.851 4.934 -5.946 1.00 0.17 H new ATOM 0 HB THR A 76 5.828 2.855 -4.906 1.00 0.14 H new ATOM 0 HG1 THR A 76 6.948 4.606 -5.814 1.00 0.14 H new ATOM 0 HG21 THR A 76 5.689 1.856 -7.153 1.00 0.26 H new ATOM 0 HG22 THR A 76 4.101 1.800 -6.351 1.00 0.26 H new ATOM 0 HG23 THR A 76 4.422 3.021 -7.606 1.00 0.26 H new ATOM 1162 N PHE A 77 1.924 3.604 -5.172 1.00 0.15 N ATOM 1163 CA PHE A 77 0.763 2.794 -4.704 1.00 0.18 C ATOM 1164 C PHE A 77 0.540 1.577 -5.595 1.00 0.19 C ATOM 1165 O PHE A 77 0.640 1.659 -6.804 1.00 0.24 O ATOM 1166 CB PHE A 77 -0.488 3.659 -4.718 1.00 0.19 C ATOM 1167 CG PHE A 77 -0.465 4.589 -3.511 1.00 0.20 C ATOM 1168 CD1 PHE A 77 -0.814 4.110 -2.264 1.00 0.28 C ATOM 1169 CD2 PHE A 77 -0.097 5.917 -3.646 1.00 0.24 C ATOM 1170 CE1 PHE A 77 -0.800 4.944 -1.165 1.00 0.31 C ATOM 1171 CE2 PHE A 77 -0.082 6.751 -2.544 1.00 0.26 C ATOM 1172 CZ PHE A 77 -0.433 6.264 -1.305 1.00 0.26 C ATOM 0 H PHE A 77 1.720 4.282 -5.907 1.00 0.15 H new ATOM 0 HA PHE A 77 0.975 2.445 -3.693 1.00 0.18 H new ATOM 0 HB2 PHE A 77 -0.533 4.240 -5.639 1.00 0.19 H new ATOM 0 HB3 PHE A 77 -1.379 3.032 -4.692 1.00 0.19 H new ATOM 0 HD1 PHE A 77 -1.100 3.075 -2.148 1.00 0.28 H new ATOM 0 HD2 PHE A 77 0.179 6.303 -4.616 1.00 0.24 H new ATOM 0 HE1 PHE A 77 -1.077 4.561 -0.194 1.00 0.31 H new ATOM 0 HE2 PHE A 77 0.205 7.786 -2.655 1.00 0.26 H new ATOM 0 HZ PHE A 77 -0.421 6.916 -0.444 1.00 0.26 H new ATOM 1182 N GLN A 78 0.242 0.471 -4.965 1.00 0.15 N ATOM 1183 CA GLN A 78 -0.018 -0.782 -5.739 1.00 0.15 C ATOM 1184 C GLN A 78 -1.377 -1.374 -5.344 1.00 0.14 C ATOM 1185 O GLN A 78 -1.839 -1.189 -4.236 1.00 0.13 O ATOM 1186 CB GLN A 78 1.082 -1.785 -5.433 1.00 0.14 C ATOM 1187 CG GLN A 78 1.800 -2.176 -6.728 1.00 0.86 C ATOM 1188 CD GLN A 78 2.576 -0.969 -7.260 1.00 1.14 C ATOM 1189 OE1 GLN A 78 2.023 -0.088 -7.889 1.00 2.49 O ATOM 1190 NE2 GLN A 78 3.859 -0.890 -7.028 1.00 0.81 N ATOM 0 H GLN A 78 0.167 0.380 -3.952 1.00 0.15 H new ATOM 0 HA GLN A 78 -0.031 -0.555 -6.805 1.00 0.15 H new ATOM 0 HB2 GLN A 78 1.793 -1.355 -4.727 1.00 0.14 H new ATOM 0 HB3 GLN A 78 0.658 -2.671 -4.959 1.00 0.14 H new ATOM 0 HG2 GLN A 78 2.480 -3.008 -6.543 1.00 0.86 H new ATOM 0 HG3 GLN A 78 1.077 -2.514 -7.470 1.00 0.86 H new ATOM 0 HE21 GLN A 78 4.328 -1.626 -6.501 1.00 0.81 H new ATOM 0 HE22 GLN A 78 4.392 -0.092 -7.374 1.00 0.81 H new ATOM 1199 N PHE A 79 -1.982 -2.076 -6.271 1.00 0.16 N ATOM 1200 CA PHE A 79 -3.321 -2.691 -5.996 1.00 0.15 C ATOM 1201 C PHE A 79 -3.240 -4.216 -6.152 1.00 0.16 C ATOM 1202 O PHE A 79 -2.929 -4.711 -7.218 1.00 0.20 O ATOM 1203 CB PHE A 79 -4.337 -2.136 -7.003 1.00 0.15 C ATOM 1204 CG PHE A 79 -4.681 -0.682 -6.649 1.00 0.15 C ATOM 1205 CD1 PHE A 79 -3.714 0.312 -6.718 1.00 0.18 C ATOM 1206 CD2 PHE A 79 -5.965 -0.341 -6.257 1.00 0.14 C ATOM 1207 CE1 PHE A 79 -4.030 1.617 -6.397 1.00 0.19 C ATOM 1208 CE2 PHE A 79 -6.276 0.965 -5.937 1.00 0.16 C ATOM 1209 CZ PHE A 79 -5.310 1.943 -6.006 1.00 0.19 C ATOM 0 H PHE A 79 -1.609 -2.250 -7.204 1.00 0.16 H new ATOM 0 HA PHE A 79 -3.628 -2.452 -4.978 1.00 0.15 H new ATOM 0 HB2 PHE A 79 -3.928 -2.187 -8.012 1.00 0.15 H new ATOM 0 HB3 PHE A 79 -5.241 -2.745 -6.995 1.00 0.15 H new ATOM 0 HD1 PHE A 79 -2.709 0.063 -7.025 1.00 0.18 H new ATOM 0 HD2 PHE A 79 -6.728 -1.103 -6.201 1.00 0.14 H new ATOM 0 HE1 PHE A 79 -3.272 2.384 -6.453 1.00 0.19 H new ATOM 0 HE2 PHE A 79 -7.280 1.220 -5.632 1.00 0.16 H new ATOM 0 HZ PHE A 79 -5.555 2.964 -5.754 1.00 0.19 H new ATOM 1219 N PHE A 80 -3.523 -4.929 -5.081 1.00 0.13 N ATOM 1220 CA PHE A 80 -3.465 -6.426 -5.151 1.00 0.13 C ATOM 1221 C PHE A 80 -4.845 -7.026 -4.864 1.00 0.14 C ATOM 1222 O PHE A 80 -5.608 -6.491 -4.081 1.00 0.19 O ATOM 1223 CB PHE A 80 -2.466 -6.933 -4.111 1.00 0.12 C ATOM 1224 CG PHE A 80 -1.046 -6.578 -4.556 1.00 0.10 C ATOM 1225 CD1 PHE A 80 -0.441 -7.264 -5.596 1.00 0.11 C ATOM 1226 CD2 PHE A 80 -0.349 -5.565 -3.923 1.00 0.15 C ATOM 1227 CE1 PHE A 80 0.841 -6.941 -5.991 1.00 0.08 C ATOM 1228 CE2 PHE A 80 0.932 -5.246 -4.322 1.00 0.16 C ATOM 1229 CZ PHE A 80 1.525 -5.933 -5.354 1.00 0.08 C ATOM 0 H PHE A 80 -3.788 -4.544 -4.175 1.00 0.13 H new ATOM 0 HA PHE A 80 -3.152 -6.727 -6.151 1.00 0.13 H new ATOM 0 HB2 PHE A 80 -2.677 -6.486 -3.140 1.00 0.12 H new ATOM 0 HB3 PHE A 80 -2.563 -8.012 -3.993 1.00 0.12 H new ATOM 0 HD1 PHE A 80 -0.975 -8.056 -6.100 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -0.810 -5.021 -3.112 1.00 0.15 H new ATOM 0 HE1 PHE A 80 1.308 -7.481 -6.802 1.00 0.08 H new ATOM 0 HE2 PHE A 80 1.470 -4.454 -3.822 1.00 0.16 H new ATOM 0 HZ PHE A 80 2.528 -5.681 -5.665 1.00 0.08 H new ATOM 1239 N LYS A 81 -5.132 -8.124 -5.514 1.00 0.14 N ATOM 1240 CA LYS A 81 -6.451 -8.795 -5.305 1.00 0.15 C ATOM 1241 C LYS A 81 -6.235 -10.289 -5.076 1.00 0.15 C ATOM 1242 O LYS A 81 -5.817 -11.002 -5.966 1.00 0.29 O ATOM 1243 CB LYS A 81 -7.323 -8.589 -6.544 1.00 0.40 C ATOM 1244 CG LYS A 81 -8.790 -8.811 -6.170 1.00 0.31 C ATOM 1245 CD LYS A 81 -9.662 -8.602 -7.410 1.00 1.01 C ATOM 1246 CE LYS A 81 -10.422 -7.282 -7.270 1.00 1.21 C ATOM 1247 NZ LYS A 81 -11.216 -7.002 -8.500 1.00 2.11 N ATOM 0 H LYS A 81 -4.512 -8.585 -6.180 1.00 0.14 H new ATOM 0 HA LYS A 81 -6.945 -8.365 -4.434 1.00 0.15 H new ATOM 0 HB2 LYS A 81 -7.184 -7.582 -6.938 1.00 0.40 H new ATOM 0 HB3 LYS A 81 -7.027 -9.283 -7.331 1.00 0.40 H new ATOM 0 HG2 LYS A 81 -8.929 -9.819 -5.778 1.00 0.31 H new ATOM 0 HG3 LYS A 81 -9.086 -8.119 -5.382 1.00 0.31 H new ATOM 0 HD2 LYS A 81 -9.043 -8.586 -8.307 1.00 1.01 H new ATOM 0 HD3 LYS A 81 -10.363 -9.430 -7.521 1.00 1.01 H new ATOM 0 HE2 LYS A 81 -11.084 -7.327 -6.405 1.00 1.21 H new ATOM 0 HE3 LYS A 81 -9.719 -6.468 -7.091 1.00 1.21 H new ATOM 0 HZ1 LYS A 81 -11.725 -6.102 -8.387 1.00 2.11 H new ATOM 0 HZ2 LYS A 81 -10.577 -6.938 -9.318 1.00 2.11 H new ATOM 0 HZ3 LYS A 81 -11.900 -7.770 -8.654 1.00 2.11 H new ATOM 1261 N LYS A 82 -6.524 -10.735 -3.886 1.00 0.38 N ATOM 1262 CA LYS A 82 -6.321 -12.179 -3.584 1.00 0.60 C ATOM 1263 C LYS A 82 -4.836 -12.519 -3.716 1.00 0.62 C ATOM 1264 O LYS A 82 -4.439 -13.657 -3.556 1.00 0.90 O ATOM 1265 CB LYS A 82 -7.129 -13.019 -4.570 1.00 0.71 C ATOM 1266 CG LYS A 82 -7.519 -14.339 -3.897 1.00 1.44 C ATOM 1267 CD LYS A 82 -7.682 -15.422 -4.964 1.00 1.97 C ATOM 1268 CE LYS A 82 -8.777 -15.005 -5.951 1.00 1.35 C ATOM 1269 NZ LYS A 82 -8.172 -14.454 -7.198 1.00 2.70 N ATOM 0 H LYS A 82 -6.887 -10.171 -3.118 1.00 0.38 H new ATOM 0 HA LYS A 82 -6.653 -12.393 -2.568 1.00 0.60 H new ATOM 0 HB2 LYS A 82 -8.022 -12.478 -4.883 1.00 0.71 H new ATOM 0 HB3 LYS A 82 -6.543 -13.213 -5.468 1.00 0.71 H new ATOM 0 HG2 LYS A 82 -6.755 -14.633 -3.178 1.00 1.44 H new ATOM 0 HG3 LYS A 82 -8.449 -14.216 -3.342 1.00 1.44 H new ATOM 0 HD2 LYS A 82 -6.740 -15.573 -5.491 1.00 1.97 H new ATOM 0 HD3 LYS A 82 -7.941 -16.372 -4.497 1.00 1.97 H new ATOM 0 HE2 LYS A 82 -9.404 -15.863 -6.192 1.00 1.35 H new ATOM 0 HE3 LYS A 82 -9.423 -14.257 -5.492 1.00 1.35 H new ATOM 0 HZ1 LYS A 82 -8.794 -14.660 -8.006 1.00 2.70 H new ATOM 0 HZ2 LYS A 82 -8.058 -13.425 -7.103 1.00 2.70 H new ATOM 0 HZ3 LYS A 82 -7.242 -14.892 -7.356 1.00 2.70 H new ATOM 1283 N GLY A 83 -4.049 -11.510 -4.008 1.00 0.38 N ATOM 1284 CA GLY A 83 -2.579 -11.727 -4.160 1.00 0.42 C ATOM 1285 C GLY A 83 -2.137 -11.418 -5.594 1.00 0.40 C ATOM 1286 O GLY A 83 -0.959 -11.401 -5.891 1.00 0.85 O ATOM 0 H GLY A 83 -4.362 -10.549 -4.147 1.00 0.38 H new ATOM 0 HA2 GLY A 83 -2.037 -11.090 -3.461 1.00 0.42 H new ATOM 0 HA3 GLY A 83 -2.330 -12.758 -3.911 1.00 0.42 H new ATOM 1290 N GLN A 84 -3.095 -11.178 -6.454 1.00 0.15 N ATOM 1291 CA GLN A 84 -2.753 -10.876 -7.870 1.00 0.20 C ATOM 1292 C GLN A 84 -2.815 -9.367 -8.132 1.00 0.19 C ATOM 1293 O GLN A 84 -3.775 -8.711 -7.784 1.00 0.17 O ATOM 1294 CB GLN A 84 -3.751 -11.592 -8.772 1.00 0.26 C ATOM 1295 CG GLN A 84 -3.245 -11.543 -10.208 1.00 1.19 C ATOM 1296 CD GLN A 84 -2.579 -12.876 -10.558 1.00 1.61 C ATOM 1297 OE1 GLN A 84 -2.687 -13.364 -11.665 1.00 2.03 O ATOM 1298 NE2 GLN A 84 -1.883 -13.494 -9.644 1.00 2.63 N ATOM 0 H GLN A 84 -4.091 -11.179 -6.235 1.00 0.15 H new ATOM 0 HA GLN A 84 -1.739 -11.218 -8.077 1.00 0.20 H new ATOM 0 HB2 GLN A 84 -3.874 -12.626 -8.451 1.00 0.26 H new ATOM 0 HB3 GLN A 84 -4.730 -11.118 -8.701 1.00 0.26 H new ATOM 0 HG2 GLN A 84 -4.072 -11.347 -10.890 1.00 1.19 H new ATOM 0 HG3 GLN A 84 -2.533 -10.726 -10.327 1.00 1.19 H new ATOM 0 HE21 GLN A 84 -1.789 -13.088 -8.713 1.00 2.63 H new ATOM 0 HE22 GLN A 84 -1.432 -14.383 -9.860 1.00 2.63 H new ATOM 1307 N LYS A 85 -1.786 -8.855 -8.748 1.00 0.22 N ATOM 1308 CA LYS A 85 -1.759 -7.398 -9.047 1.00 0.22 C ATOM 1309 C LYS A 85 -2.820 -7.055 -10.097 1.00 0.22 C ATOM 1310 O LYS A 85 -3.029 -7.799 -11.035 1.00 0.32 O ATOM 1311 CB LYS A 85 -0.374 -7.031 -9.581 1.00 0.27 C ATOM 1312 CG LYS A 85 -0.214 -5.509 -9.586 1.00 0.27 C ATOM 1313 CD LYS A 85 1.256 -5.161 -9.833 1.00 0.42 C ATOM 1314 CE LYS A 85 1.678 -5.681 -11.211 1.00 0.59 C ATOM 1315 NZ LYS A 85 2.061 -7.118 -11.132 1.00 2.05 N ATOM 0 H LYS A 85 -0.967 -9.380 -9.055 1.00 0.22 H new ATOM 0 HA LYS A 85 -1.972 -6.836 -8.138 1.00 0.22 H new ATOM 0 HB2 LYS A 85 0.398 -7.486 -8.961 1.00 0.27 H new ATOM 0 HB3 LYS A 85 -0.246 -7.424 -10.590 1.00 0.27 H new ATOM 0 HG2 LYS A 85 -0.840 -5.068 -10.361 1.00 0.27 H new ATOM 0 HG3 LYS A 85 -0.544 -5.093 -8.634 1.00 0.27 H new ATOM 0 HD2 LYS A 85 1.399 -4.082 -9.780 1.00 0.42 H new ATOM 0 HD3 LYS A 85 1.881 -5.604 -9.058 1.00 0.42 H new ATOM 0 HE2 LYS A 85 0.860 -5.555 -11.920 1.00 0.59 H new ATOM 0 HE3 LYS A 85 2.517 -5.095 -11.586 1.00 0.59 H new ATOM 0 HZ1 LYS A 85 2.985 -7.256 -11.588 1.00 2.05 H new ATOM 0 HZ2 LYS A 85 2.120 -7.407 -10.135 1.00 2.05 H new ATOM 0 HZ3 LYS A 85 1.345 -7.695 -11.618 1.00 2.05 H new ATOM 1329 N VAL A 86 -3.467 -5.934 -9.912 1.00 0.14 N ATOM 1330 CA VAL A 86 -4.521 -5.516 -10.888 1.00 0.12 C ATOM 1331 C VAL A 86 -4.382 -4.026 -11.227 1.00 0.13 C ATOM 1332 O VAL A 86 -4.845 -3.579 -12.257 1.00 0.12 O ATOM 1333 CB VAL A 86 -5.896 -5.770 -10.273 1.00 0.08 C ATOM 1334 CG1 VAL A 86 -6.239 -7.255 -10.403 1.00 0.09 C ATOM 1335 CG2 VAL A 86 -5.864 -5.391 -8.792 1.00 0.08 C ATOM 0 H VAL A 86 -3.314 -5.293 -9.134 1.00 0.14 H new ATOM 0 HA VAL A 86 -4.406 -6.094 -11.805 1.00 0.12 H new ATOM 0 HB VAL A 86 -6.646 -5.171 -10.790 1.00 0.08 H new ATOM 0 HG11 VAL A 86 -7.220 -7.442 -9.965 1.00 0.09 H new ATOM 0 HG12 VAL A 86 -6.253 -7.534 -11.456 1.00 0.09 H new ATOM 0 HG13 VAL A 86 -5.489 -7.849 -9.880 1.00 0.09 H new ATOM 0 HG21 VAL A 86 -6.844 -5.571 -8.349 1.00 0.08 H new ATOM 0 HG22 VAL A 86 -5.117 -5.996 -8.278 1.00 0.08 H new ATOM 0 HG23 VAL A 86 -5.609 -4.336 -8.692 1.00 0.08 H new ATOM 1345 N GLY A 87 -3.745 -3.288 -10.357 1.00 0.15 N ATOM 1346 CA GLY A 87 -3.577 -1.832 -10.624 1.00 0.17 C ATOM 1347 C GLY A 87 -2.299 -1.306 -9.968 1.00 0.18 C ATOM 1348 O GLY A 87 -1.816 -1.866 -9.003 1.00 0.21 O ATOM 0 H GLY A 87 -3.339 -3.626 -9.484 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.539 -1.656 -11.699 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.439 -1.285 -10.242 1.00 0.17 H new ATOM 1352 N GLU A 88 -1.776 -0.241 -10.508 1.00 0.16 N ATOM 1353 CA GLU A 88 -0.533 0.338 -9.922 1.00 0.17 C ATOM 1354 C GLU A 88 -0.279 1.736 -10.488 1.00 0.15 C ATOM 1355 O GLU A 88 -0.181 1.918 -11.685 1.00 0.14 O ATOM 1356 CB GLU A 88 0.647 -0.567 -10.267 1.00 0.18 C ATOM 1357 CG GLU A 88 0.434 -1.155 -11.664 1.00 1.42 C ATOM 1358 CD GLU A 88 1.738 -1.789 -12.151 1.00 1.36 C ATOM 1359 OE1 GLU A 88 2.549 -2.086 -11.290 1.00 0.98 O ATOM 1360 OE2 GLU A 88 1.849 -1.939 -13.356 1.00 2.15 O ATOM 0 H GLU A 88 -2.149 0.250 -11.321 1.00 0.16 H new ATOM 0 HA GLU A 88 -0.648 0.411 -8.841 1.00 0.17 H new ATOM 0 HB2 GLU A 88 1.578 -0.000 -10.235 1.00 0.18 H new ATOM 0 HB3 GLU A 88 0.735 -1.367 -9.532 1.00 0.18 H new ATOM 0 HG2 GLU A 88 -0.360 -1.902 -11.639 1.00 1.42 H new ATOM 0 HG3 GLU A 88 0.116 -0.374 -12.355 1.00 1.42 H new ATOM 1367 N PHE A 89 -0.176 2.692 -9.610 1.00 0.15 N ATOM 1368 CA PHE A 89 0.081 4.080 -10.063 1.00 0.15 C ATOM 1369 C PHE A 89 0.859 4.840 -8.984 1.00 0.13 C ATOM 1370 O PHE A 89 0.538 4.757 -7.812 1.00 0.13 O ATOM 1371 CB PHE A 89 -1.258 4.751 -10.316 1.00 0.17 C ATOM 1372 CG PHE A 89 -1.738 5.453 -9.044 1.00 0.15 C ATOM 1373 CD1 PHE A 89 -1.288 6.723 -8.731 1.00 0.20 C ATOM 1374 CD2 PHE A 89 -2.631 4.826 -8.192 1.00 0.15 C ATOM 1375 CE1 PHE A 89 -1.724 7.355 -7.586 1.00 0.20 C ATOM 1376 CE2 PHE A 89 -3.066 5.462 -7.048 1.00 0.14 C ATOM 1377 CZ PHE A 89 -2.613 6.726 -6.746 1.00 0.14 C ATOM 0 H PHE A 89 -0.259 2.570 -8.601 1.00 0.15 H new ATOM 0 HA PHE A 89 0.674 4.078 -10.977 1.00 0.15 H new ATOM 0 HB2 PHE A 89 -1.165 5.473 -11.127 1.00 0.17 H new ATOM 0 HB3 PHE A 89 -1.992 4.010 -10.632 1.00 0.17 H new ATOM 0 HD1 PHE A 89 -0.591 7.222 -9.388 1.00 0.20 H new ATOM 0 HD2 PHE A 89 -2.989 3.834 -8.424 1.00 0.15 H new ATOM 0 HE1 PHE A 89 -1.367 8.346 -7.348 1.00 0.20 H new ATOM 0 HE2 PHE A 89 -3.763 4.967 -6.388 1.00 0.14 H new ATOM 0 HZ PHE A 89 -2.955 7.223 -5.850 1.00 0.14 H new ATOM 1387 N SER A 90 1.865 5.565 -9.403 1.00 0.12 N ATOM 1388 CA SER A 90 2.685 6.331 -8.416 1.00 0.12 C ATOM 1389 C SER A 90 2.379 7.825 -8.502 1.00 0.18 C ATOM 1390 O SER A 90 1.846 8.299 -9.487 1.00 0.18 O ATOM 1391 CB SER A 90 4.164 6.098 -8.713 1.00 0.13 C ATOM 1392 OG SER A 90 4.359 6.687 -9.991 1.00 0.21 O ATOM 0 H SER A 90 2.152 5.660 -10.377 1.00 0.12 H new ATOM 0 HA SER A 90 2.442 5.986 -7.411 1.00 0.12 H new ATOM 0 HB2 SER A 90 4.800 6.562 -7.959 1.00 0.13 H new ATOM 0 HB3 SER A 90 4.406 5.035 -8.723 1.00 0.13 H new ATOM 0 HG SER A 90 5.295 6.582 -10.260 1.00 0.21 H new ATOM 1398 N GLY A 91 2.726 8.538 -7.462 1.00 0.32 N ATOM 1399 CA GLY A 91 2.467 10.007 -7.456 1.00 0.41 C ATOM 1400 C GLY A 91 2.032 10.471 -6.064 1.00 0.21 C ATOM 1401 O GLY A 91 1.343 9.763 -5.358 1.00 0.26 O ATOM 0 H GLY A 91 3.174 8.170 -6.623 1.00 0.32 H new ATOM 0 HA2 GLY A 91 3.367 10.542 -7.759 1.00 0.41 H new ATOM 0 HA3 GLY A 91 1.693 10.248 -8.184 1.00 0.41 H new ATOM 1405 N ALA A 92 2.449 11.653 -5.699 1.00 0.25 N ATOM 1406 CA ALA A 92 2.073 12.183 -4.354 1.00 0.09 C ATOM 1407 C ALA A 92 0.666 12.794 -4.385 1.00 0.27 C ATOM 1408 O ALA A 92 0.442 13.857 -3.843 1.00 0.59 O ATOM 1409 CB ALA A 92 3.082 13.253 -3.942 1.00 0.18 C ATOM 0 H ALA A 92 3.029 12.271 -6.267 1.00 0.25 H new ATOM 0 HA ALA A 92 2.078 11.363 -3.636 1.00 0.09 H new ATOM 0 HB1 ALA A 92 2.815 13.646 -2.961 1.00 0.18 H new ATOM 0 HB2 ALA A 92 4.079 12.815 -3.899 1.00 0.18 H new ATOM 0 HB3 ALA A 92 3.072 14.063 -4.672 1.00 0.18 H new ATOM 1415 N ASN A 93 -0.250 12.103 -5.016 1.00 0.32 N ATOM 1416 CA ASN A 93 -1.652 12.625 -5.083 1.00 0.43 C ATOM 1417 C ASN A 93 -2.544 11.864 -4.096 1.00 0.44 C ATOM 1418 O ASN A 93 -2.424 10.664 -3.946 1.00 0.47 O ATOM 1419 CB ASN A 93 -2.193 12.442 -6.498 1.00 0.59 C ATOM 1420 CG ASN A 93 -3.495 13.237 -6.642 1.00 0.69 C ATOM 1421 OD1 ASN A 93 -3.668 14.006 -7.566 1.00 1.11 O ATOM 1422 ND2 ASN A 93 -4.436 13.079 -5.748 1.00 0.71 N ATOM 0 H ASN A 93 -0.092 11.210 -5.483 1.00 0.32 H new ATOM 0 HA ASN A 93 -1.652 13.683 -4.821 1.00 0.43 H new ATOM 0 HB2 ASN A 93 -1.460 12.785 -7.228 1.00 0.59 H new ATOM 0 HB3 ASN A 93 -2.373 11.386 -6.698 1.00 0.59 H new ATOM 0 HD21 ASN A 93 -5.309 13.600 -5.829 1.00 0.71 H new ATOM 0 HD22 ASN A 93 -4.297 12.435 -4.970 1.00 0.71 H new ATOM 1429 N LYS A 94 -3.422 12.581 -3.447 1.00 0.50 N ATOM 1430 CA LYS A 94 -4.325 11.936 -2.472 1.00 0.52 C ATOM 1431 C LYS A 94 -5.715 11.727 -3.086 1.00 0.32 C ATOM 1432 O LYS A 94 -6.222 10.623 -3.120 1.00 0.23 O ATOM 1433 CB LYS A 94 -4.436 12.849 -1.266 1.00 0.74 C ATOM 1434 CG LYS A 94 -5.425 12.253 -0.281 1.00 2.19 C ATOM 1435 CD LYS A 94 -6.727 13.055 -0.324 1.00 3.92 C ATOM 1436 CE LYS A 94 -7.718 12.465 0.684 1.00 5.76 C ATOM 1437 NZ LYS A 94 -9.093 12.429 0.107 1.00 6.82 N ATOM 0 H LYS A 94 -3.547 13.587 -3.556 1.00 0.50 H new ATOM 0 HA LYS A 94 -3.928 10.962 -2.186 1.00 0.52 H new ATOM 0 HB2 LYS A 94 -3.461 12.969 -0.794 1.00 0.74 H new ATOM 0 HB3 LYS A 94 -4.764 13.841 -1.575 1.00 0.74 H new ATOM 0 HG2 LYS A 94 -5.619 11.209 -0.529 1.00 2.19 H new ATOM 0 HG3 LYS A 94 -5.008 12.269 0.726 1.00 2.19 H new ATOM 0 HD2 LYS A 94 -6.531 14.101 -0.089 1.00 3.92 H new ATOM 0 HD3 LYS A 94 -7.152 13.028 -1.328 1.00 3.92 H new ATOM 0 HE2 LYS A 94 -7.407 11.458 0.961 1.00 5.76 H new ATOM 0 HE3 LYS A 94 -7.716 13.061 1.596 1.00 5.76 H new ATOM 0 HZ1 LYS A 94 -9.752 12.026 0.804 1.00 6.82 H new ATOM 0 HZ2 LYS A 94 -9.393 13.395 -0.135 1.00 6.82 H new ATOM 0 HZ3 LYS A 94 -9.094 11.841 -0.751 1.00 6.82 H new ATOM 1451 N GLU A 95 -6.300 12.794 -3.558 1.00 0.36 N ATOM 1452 CA GLU A 95 -7.655 12.681 -4.166 1.00 0.27 C ATOM 1453 C GLU A 95 -7.666 11.594 -5.241 1.00 0.15 C ATOM 1454 O GLU A 95 -8.706 11.228 -5.750 1.00 0.27 O ATOM 1455 CB GLU A 95 -8.035 14.022 -4.793 1.00 0.43 C ATOM 1456 CG GLU A 95 -8.383 15.016 -3.681 1.00 0.66 C ATOM 1457 CD GLU A 95 -9.903 15.164 -3.593 1.00 1.67 C ATOM 1458 OE1 GLU A 95 -10.508 14.236 -3.084 1.00 2.79 O ATOM 1459 OE2 GLU A 95 -10.372 16.198 -4.039 1.00 1.68 O ATOM 0 H GLU A 95 -5.901 13.733 -3.549 1.00 0.36 H new ATOM 0 HA GLU A 95 -8.374 12.415 -3.391 1.00 0.27 H new ATOM 0 HB2 GLU A 95 -7.209 14.404 -5.393 1.00 0.43 H new ATOM 0 HB3 GLU A 95 -8.885 13.896 -5.464 1.00 0.43 H new ATOM 0 HG2 GLU A 95 -7.984 14.668 -2.728 1.00 0.66 H new ATOM 0 HG3 GLU A 95 -7.923 15.983 -3.885 1.00 0.66 H new ATOM 1466 N LYS A 96 -6.504 11.102 -5.563 1.00 0.10 N ATOM 1467 CA LYS A 96 -6.425 10.038 -6.602 1.00 0.23 C ATOM 1468 C LYS A 96 -6.758 8.674 -5.991 1.00 0.21 C ATOM 1469 O LYS A 96 -7.593 7.952 -6.498 1.00 0.22 O ATOM 1470 CB LYS A 96 -5.011 10.008 -7.177 1.00 0.38 C ATOM 1471 CG LYS A 96 -4.959 9.001 -8.328 1.00 0.52 C ATOM 1472 CD LYS A 96 -4.530 9.721 -9.608 1.00 0.64 C ATOM 1473 CE LYS A 96 -3.107 10.259 -9.432 1.00 1.95 C ATOM 1474 NZ LYS A 96 -2.222 9.759 -10.521 1.00 2.22 N ATOM 0 H LYS A 96 -5.613 11.387 -5.157 1.00 0.10 H new ATOM 0 HA LYS A 96 -7.144 10.253 -7.392 1.00 0.23 H new ATOM 0 HB2 LYS A 96 -4.728 10.999 -7.532 1.00 0.38 H new ATOM 0 HB3 LYS A 96 -4.296 9.731 -6.402 1.00 0.38 H new ATOM 0 HG2 LYS A 96 -4.258 8.200 -8.095 1.00 0.52 H new ATOM 0 HG3 LYS A 96 -5.936 8.539 -8.467 1.00 0.52 H new ATOM 0 HD2 LYS A 96 -4.570 9.036 -10.455 1.00 0.64 H new ATOM 0 HD3 LYS A 96 -5.216 10.539 -9.826 1.00 0.64 H new ATOM 0 HE2 LYS A 96 -3.121 11.349 -9.438 1.00 1.95 H new ATOM 0 HE3 LYS A 96 -2.712 9.950 -8.464 1.00 1.95 H new ATOM 0 HZ1 LYS A 96 -1.437 10.426 -10.665 1.00 2.22 H new ATOM 0 HZ2 LYS A 96 -1.841 8.828 -10.258 1.00 2.22 H new ATOM 0 HZ3 LYS A 96 -2.769 9.673 -11.401 1.00 2.22 H new ATOM 1488 N LEU A 97 -6.096 8.351 -4.911 1.00 0.19 N ATOM 1489 CA LEU A 97 -6.364 7.033 -4.254 1.00 0.17 C ATOM 1490 C LEU A 97 -7.870 6.792 -4.164 1.00 0.19 C ATOM 1491 O LEU A 97 -8.375 5.836 -4.709 1.00 0.31 O ATOM 1492 CB LEU A 97 -5.777 7.040 -2.836 1.00 0.15 C ATOM 1493 CG LEU A 97 -4.269 7.312 -2.898 1.00 0.32 C ATOM 1494 CD1 LEU A 97 -3.816 7.897 -1.559 1.00 0.38 C ATOM 1495 CD2 LEU A 97 -3.514 5.999 -3.152 1.00 0.59 C ATOM 0 H LEU A 97 -5.390 8.932 -4.459 1.00 0.19 H new ATOM 0 HA LEU A 97 -5.903 6.242 -4.845 1.00 0.17 H new ATOM 0 HB2 LEU A 97 -6.269 7.803 -2.233 1.00 0.15 H new ATOM 0 HB3 LEU A 97 -5.963 6.082 -2.351 1.00 0.15 H new ATOM 0 HG LEU A 97 -4.058 8.012 -3.706 1.00 0.32 H new ATOM 0 HD11 LEU A 97 -2.745 8.094 -1.592 1.00 0.38 H new ATOM 0 HD12 LEU A 97 -4.351 8.828 -1.369 1.00 0.38 H new ATOM 0 HD13 LEU A 97 -4.030 7.186 -0.761 1.00 0.38 H new ATOM 0 HD21 LEU A 97 -2.443 6.198 -3.195 1.00 0.59 H new ATOM 0 HD22 LEU A 97 -3.721 5.298 -2.343 1.00 0.59 H new ATOM 0 HD23 LEU A 97 -3.842 5.568 -4.098 1.00 0.59 H new ATOM 1507 N GLU A 98 -8.550 7.673 -3.479 1.00 0.17 N ATOM 1508 CA GLU A 98 -10.031 7.521 -3.322 1.00 0.16 C ATOM 1509 C GLU A 98 -10.670 7.004 -4.610 1.00 0.17 C ATOM 1510 O GLU A 98 -11.096 5.868 -4.686 1.00 0.17 O ATOM 1511 CB GLU A 98 -10.630 8.878 -2.967 1.00 0.19 C ATOM 1512 CG GLU A 98 -12.154 8.760 -2.954 1.00 0.30 C ATOM 1513 CD GLU A 98 -12.726 9.741 -1.930 1.00 0.48 C ATOM 1514 OE1 GLU A 98 -12.543 10.926 -2.154 1.00 1.47 O ATOM 1515 OE2 GLU A 98 -13.315 9.250 -0.982 1.00 1.16 O ATOM 0 H GLU A 98 -8.147 8.491 -3.021 1.00 0.17 H new ATOM 0 HA GLU A 98 -10.228 6.798 -2.530 1.00 0.16 H new ATOM 0 HB2 GLU A 98 -10.269 9.206 -1.992 1.00 0.19 H new ATOM 0 HB3 GLU A 98 -10.317 9.629 -3.692 1.00 0.19 H new ATOM 0 HG2 GLU A 98 -12.556 8.974 -3.944 1.00 0.30 H new ATOM 0 HG3 GLU A 98 -12.450 7.741 -2.704 1.00 0.30 H new ATOM 1522 N ALA A 99 -10.719 7.845 -5.588 1.00 0.17 N ATOM 1523 CA ALA A 99 -11.332 7.430 -6.885 1.00 0.18 C ATOM 1524 C ALA A 99 -10.710 6.117 -7.378 1.00 0.19 C ATOM 1525 O ALA A 99 -11.396 5.264 -7.908 1.00 0.22 O ATOM 1526 CB ALA A 99 -11.102 8.527 -7.920 1.00 0.19 C ATOM 0 H ALA A 99 -10.365 8.801 -5.557 1.00 0.17 H new ATOM 0 HA ALA A 99 -12.401 7.274 -6.740 1.00 0.18 H new ATOM 0 HB1 ALA A 99 -11.547 8.230 -8.870 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -11.563 9.453 -7.577 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -10.031 8.682 -8.054 1.00 0.19 H new ATOM 1532 N THR A 100 -9.424 5.979 -7.195 1.00 0.18 N ATOM 1533 CA THR A 100 -8.754 4.725 -7.652 1.00 0.19 C ATOM 1534 C THR A 100 -9.377 3.509 -6.959 1.00 0.17 C ATOM 1535 O THR A 100 -9.661 2.513 -7.594 1.00 0.19 O ATOM 1536 CB THR A 100 -7.263 4.798 -7.322 1.00 0.18 C ATOM 1537 OG1 THR A 100 -6.856 6.091 -7.761 1.00 0.21 O ATOM 1538 CG2 THR A 100 -6.457 3.813 -8.162 1.00 0.20 C ATOM 0 H THR A 100 -8.815 6.669 -6.755 1.00 0.18 H new ATOM 0 HA THR A 100 -8.887 4.621 -8.729 1.00 0.19 H new ATOM 0 HB THR A 100 -7.104 4.588 -6.264 1.00 0.18 H new ATOM 0 HG1 THR A 100 -7.058 6.751 -7.065 1.00 0.21 H new ATOM 0 HG21 THR A 100 -5.401 3.892 -7.902 1.00 0.20 H new ATOM 0 HG22 THR A 100 -6.804 2.799 -7.966 1.00 0.20 H new ATOM 0 HG23 THR A 100 -6.588 4.044 -9.219 1.00 0.20 H new ATOM 1546 N ILE A 101 -9.570 3.608 -5.670 1.00 0.16 N ATOM 1547 CA ILE A 101 -10.189 2.463 -4.945 1.00 0.16 C ATOM 1548 C ILE A 101 -11.569 2.213 -5.533 1.00 0.17 C ATOM 1549 O ILE A 101 -12.010 1.089 -5.646 1.00 0.12 O ATOM 1550 CB ILE A 101 -10.303 2.800 -3.444 1.00 0.18 C ATOM 1551 CG1 ILE A 101 -9.017 2.364 -2.716 1.00 0.29 C ATOM 1552 CG2 ILE A 101 -11.502 2.053 -2.837 1.00 0.12 C ATOM 1553 CD1 ILE A 101 -7.843 3.218 -3.203 1.00 1.53 C ATOM 0 H ILE A 101 -9.330 4.417 -5.097 1.00 0.16 H new ATOM 0 HA ILE A 101 -9.574 1.569 -5.053 1.00 0.16 H new ATOM 0 HB ILE A 101 -10.443 3.875 -3.329 1.00 0.18 H new ATOM 0 HG12 ILE A 101 -9.140 2.476 -1.639 1.00 0.29 H new ATOM 0 HG13 ILE A 101 -8.818 1.309 -2.907 1.00 0.29 H new ATOM 0 HG21 ILE A 101 -11.581 2.292 -1.777 1.00 0.12 H new ATOM 0 HG22 ILE A 101 -12.416 2.357 -3.347 1.00 0.12 H new ATOM 0 HG23 ILE A 101 -11.360 0.979 -2.957 1.00 0.12 H new ATOM 0 HD11 ILE A 101 -6.932 2.911 -2.689 1.00 1.53 H new ATOM 0 HD12 ILE A 101 -7.716 3.084 -4.277 1.00 1.53 H new ATOM 0 HD13 ILE A 101 -8.044 4.268 -2.990 1.00 1.53 H new ATOM 1565 N ASN A 102 -12.214 3.277 -5.898 1.00 0.23 N ATOM 1566 CA ASN A 102 -13.564 3.145 -6.505 1.00 0.25 C ATOM 1567 C ASN A 102 -13.430 2.463 -7.863 1.00 0.29 C ATOM 1568 O ASN A 102 -14.406 2.069 -8.470 1.00 0.36 O ATOM 1569 CB ASN A 102 -14.162 4.539 -6.688 1.00 0.26 C ATOM 1570 CG ASN A 102 -15.648 4.514 -6.327 1.00 0.37 C ATOM 1571 OD1 ASN A 102 -16.296 3.487 -6.376 1.00 0.44 O ATOM 1572 ND2 ASN A 102 -16.226 5.625 -5.959 1.00 0.92 N ATOM 0 H ASN A 102 -11.868 4.232 -5.804 1.00 0.23 H new ATOM 0 HA ASN A 102 -14.212 2.551 -5.860 1.00 0.25 H new ATOM 0 HB2 ASN A 102 -13.637 5.256 -6.057 1.00 0.26 H new ATOM 0 HB3 ASN A 102 -14.034 4.868 -7.719 1.00 0.26 H new ATOM 0 HD21 ASN A 102 -17.216 5.628 -5.714 1.00 0.92 H new ATOM 0 HD22 ASN A 102 -15.687 6.490 -5.916 1.00 0.92 H new ATOM 1579 N GLU A 103 -12.208 2.341 -8.309 1.00 0.26 N ATOM 1580 CA GLU A 103 -11.963 1.696 -9.625 1.00 0.30 C ATOM 1581 C GLU A 103 -12.068 0.169 -9.510 1.00 0.31 C ATOM 1582 O GLU A 103 -12.678 -0.471 -10.344 1.00 0.41 O ATOM 1583 CB GLU A 103 -10.561 2.070 -10.101 1.00 0.29 C ATOM 1584 CG GLU A 103 -10.506 1.966 -11.624 1.00 0.34 C ATOM 1585 CD GLU A 103 -9.077 2.239 -12.098 1.00 1.41 C ATOM 1586 OE1 GLU A 103 -8.188 2.013 -11.295 1.00 2.50 O ATOM 1587 OE2 GLU A 103 -8.956 2.660 -13.237 1.00 1.58 O ATOM 0 H GLU A 103 -11.373 2.660 -7.818 1.00 0.26 H new ATOM 0 HA GLU A 103 -12.713 2.042 -10.336 1.00 0.30 H new ATOM 0 HB2 GLU A 103 -10.314 3.083 -9.784 1.00 0.29 H new ATOM 0 HB3 GLU A 103 -9.822 1.407 -9.652 1.00 0.29 H new ATOM 0 HG2 GLU A 103 -10.824 0.974 -11.944 1.00 0.34 H new ATOM 0 HG3 GLU A 103 -11.194 2.682 -12.074 1.00 0.34 H new ATOM 1594 N LEU A 104 -11.474 -0.383 -8.478 1.00 0.23 N ATOM 1595 CA LEU A 104 -11.521 -1.874 -8.314 1.00 0.27 C ATOM 1596 C LEU A 104 -12.545 -2.288 -7.244 1.00 0.34 C ATOM 1597 O LEU A 104 -12.819 -3.460 -7.076 1.00 0.49 O ATOM 1598 CB LEU A 104 -10.132 -2.377 -7.911 1.00 0.20 C ATOM 1599 CG LEU A 104 -9.072 -1.735 -8.814 1.00 0.17 C ATOM 1600 CD1 LEU A 104 -7.711 -2.370 -8.518 1.00 0.11 C ATOM 1601 CD2 LEU A 104 -9.432 -1.983 -10.281 1.00 0.24 C ATOM 0 H LEU A 104 -10.966 0.123 -7.752 1.00 0.23 H new ATOM 0 HA LEU A 104 -11.825 -2.316 -9.263 1.00 0.27 H new ATOM 0 HB2 LEU A 104 -9.933 -2.131 -6.868 1.00 0.20 H new ATOM 0 HB3 LEU A 104 -10.088 -3.463 -7.996 1.00 0.20 H new ATOM 0 HG LEU A 104 -9.032 -0.662 -8.624 1.00 0.17 H new ATOM 0 HD11 LEU A 104 -6.952 -1.918 -9.157 1.00 0.11 H new ATOM 0 HD12 LEU A 104 -7.451 -2.203 -7.473 1.00 0.11 H new ATOM 0 HD13 LEU A 104 -7.759 -3.441 -8.714 1.00 0.11 H new ATOM 0 HD21 LEU A 104 -8.678 -1.527 -10.923 1.00 0.24 H new ATOM 0 HD22 LEU A 104 -9.468 -3.056 -10.470 1.00 0.24 H new ATOM 0 HD23 LEU A 104 -10.406 -1.543 -10.496 1.00 0.24 H new ATOM 1613 N VAL A 105 -13.093 -1.328 -6.549 1.00 0.27 N ATOM 1614 CA VAL A 105 -14.095 -1.676 -5.492 1.00 0.33 C ATOM 1615 C VAL A 105 -15.099 -2.702 -6.030 1.00 0.45 C ATOM 1616 O VAL A 105 -15.630 -3.425 -5.203 1.00 0.75 O ATOM 1617 CB VAL A 105 -14.841 -0.413 -5.066 1.00 0.31 C ATOM 1618 CG1 VAL A 105 -15.913 -0.086 -6.106 1.00 0.30 C ATOM 1619 CG2 VAL A 105 -15.511 -0.656 -3.712 1.00 0.28 C ATOM 1620 OXT VAL A 105 -15.277 -2.704 -7.237 1.00 1.65 O ATOM 0 H VAL A 105 -12.897 -0.333 -6.661 1.00 0.27 H new ATOM 0 HA VAL A 105 -13.573 -2.105 -4.636 1.00 0.33 H new ATOM 0 HB VAL A 105 -14.140 0.418 -4.986 1.00 0.31 H new ATOM 0 HG11 VAL A 105 -16.448 0.815 -5.806 1.00 0.30 H new ATOM 0 HG12 VAL A 105 -15.442 0.078 -7.075 1.00 0.30 H new ATOM 0 HG13 VAL A 105 -16.614 -0.917 -6.179 1.00 0.30 H new ATOM 0 HG21 VAL A 105 -16.045 0.243 -3.404 1.00 0.28 H new ATOM 0 HG22 VAL A 105 -16.214 -1.484 -3.798 1.00 0.28 H new ATOM 0 HG23 VAL A 105 -14.752 -0.900 -2.969 1.00 0.28 H new TER 1630 VAL A 105