USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 822 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 54 SER OG : rot 106:sc= 0.422 USER MOD Set 1.2: A 83 SER OG : rot -28:sc= 0.485 USER MOD Set 2.1: A 21 LYS NZ :NH3+ -175:sc= 0.197 (180deg=-0.723) USER MOD Set 2.2: A 63 SER OG : rot -70:sc= 1.37 USER MOD Set 3.1: A 10 SER OG : rot 180:sc= -0.312 USER MOD Set 3.2: A 12 SER OG : rot 180:sc= -0.132 USER MOD Single : A 1 SER N :NH3+ -133:sc= 0.101 (180deg=0) USER MOD Single : A 1 SER OG : rot 170:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 64:sc= 1.08 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 42:sc= 1.16 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= -0.0366 (180deg=-0.442) USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= -0.0477 (180deg=-0.497) USER MOD Single : A 30 TYR OH : rot -81:sc= 1.32 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= -0.0251 (180deg=-0.282) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.434 USER MOD Single : A 55 SER OG : rot -111:sc= 0.212 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0234 K(o=-0.023,f=-1.7!) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 70 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.5!) USER MOD Single : A 75 GLN : amide:sc= -1.65! K(o=-1.6!,f=-1.1) USER MOD Single : A 77 ASN : amide:sc= -1.34 K(o=-1.3,f=-2) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -73:sc= 0.322 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.021 K(o=-0.021,f=-0.94) USER MOD Single : A 96 ASN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 103 HIS : no HD1:sc= -1.58! C(o=-1.6!,f=-1.8!) USER MOD Single : A 104 HIS : no HD1:sc= -1.02 X(o=-1,f=-0.77) USER MOD Single : A 105 HIS : no HE2:sc= 0.471 K(o=0.47,f=-4.4!) USER MOD Single : A 106 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.666 -0.217 -1.215 1.00 0.00 N ATOM 2 CA SER A 1 -12.234 -0.489 -1.537 1.00 0.00 C ATOM 3 C SER A 1 -12.010 -1.997 -1.649 1.00 0.00 C ATOM 4 O SER A 1 -12.944 -2.772 -1.669 1.00 0.00 O ATOM 5 CB SER A 1 -11.344 0.072 -0.430 1.00 0.00 C ATOM 6 OG SER A 1 -11.379 -0.805 0.688 1.00 0.00 O ATOM 0 H1 SER A 1 -14.026 0.532 -1.840 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.224 -1.083 -1.356 1.00 0.00 H new ATOM 0 H3 SER A 1 -13.747 0.089 -0.224 1.00 0.00 H new ATOM 0 HA SER A 1 -11.983 -0.012 -2.484 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.321 0.181 -0.790 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.687 1.065 -0.139 1.00 0.00 H new ATOM 0 HG SER A 1 -10.692 -0.539 1.334 1.00 0.00 H new ATOM 14 N ASP A 2 -10.774 -2.420 -1.712 1.00 0.00 N ATOM 15 CA ASP A 2 -10.488 -3.878 -1.819 1.00 0.00 C ATOM 16 C ASP A 2 -8.982 -4.111 -1.699 1.00 0.00 C ATOM 17 O ASP A 2 -8.180 -3.286 -2.094 1.00 0.00 O ATOM 18 CB ASP A 2 -10.979 -4.414 -3.165 1.00 0.00 C ATOM 19 CG ASP A 2 -10.817 -5.935 -3.189 1.00 0.00 C ATOM 20 OD1 ASP A 2 -11.310 -6.577 -2.275 1.00 0.00 O ATOM 21 OD2 ASP A 2 -10.202 -6.431 -4.117 1.00 0.00 O ATOM 0 H ASP A 2 -9.951 -1.817 -1.694 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.007 -4.402 -1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.024 -4.145 -3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.411 -3.963 -3.979 1.00 0.00 H new ATOM 26 N LEU A 3 -8.593 -5.222 -1.140 1.00 0.00 N ATOM 27 CA LEU A 3 -7.144 -5.505 -0.969 1.00 0.00 C ATOM 28 C LEU A 3 -6.556 -6.061 -2.268 1.00 0.00 C ATOM 29 O LEU A 3 -7.078 -6.990 -2.854 1.00 0.00 O ATOM 30 CB LEU A 3 -6.978 -6.532 0.154 1.00 0.00 C ATOM 31 CG LEU A 3 -7.125 -5.846 1.522 1.00 0.00 C ATOM 32 CD1 LEU A 3 -5.955 -4.866 1.773 1.00 0.00 C ATOM 33 CD2 LEU A 3 -8.468 -5.097 1.568 1.00 0.00 C ATOM 0 H LEU A 3 -9.220 -5.948 -0.793 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.618 -4.584 -0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.725 -7.319 0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.000 -7.008 0.080 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.102 -6.603 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.080 -4.392 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.012 -5.412 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.947 -4.102 0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.579 -4.608 2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.494 -4.347 0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.284 -5.805 1.423 1.00 0.00 H new ATOM 45 N VAL A 4 -5.459 -5.497 -2.714 1.00 0.00 N ATOM 46 CA VAL A 4 -4.805 -5.977 -3.971 1.00 0.00 C ATOM 47 C VAL A 4 -3.292 -6.075 -3.759 1.00 0.00 C ATOM 48 O VAL A 4 -2.747 -5.534 -2.818 1.00 0.00 O ATOM 49 CB VAL A 4 -5.113 -5.007 -5.115 1.00 0.00 C ATOM 50 CG1 VAL A 4 -6.612 -4.709 -5.134 1.00 0.00 C ATOM 51 CG2 VAL A 4 -4.346 -3.696 -4.918 1.00 0.00 C ATOM 0 H VAL A 4 -4.985 -4.718 -2.256 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.193 -6.963 -4.227 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.809 -5.463 -6.057 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.835 -4.019 -5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.165 -5.636 -5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.906 -4.259 -4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.573 -3.015 -5.738 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.643 -3.239 -3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.275 -3.900 -4.902 1.00 0.00 H new ATOM 61 N LYS A 5 -2.615 -6.772 -4.627 1.00 0.00 N ATOM 62 CA LYS A 5 -1.141 -6.921 -4.485 1.00 0.00 C ATOM 63 C LYS A 5 -0.419 -5.669 -5.001 1.00 0.00 C ATOM 64 O LYS A 5 -0.936 -4.927 -5.812 1.00 0.00 O ATOM 65 CB LYS A 5 -0.686 -8.134 -5.293 1.00 0.00 C ATOM 66 CG LYS A 5 -1.224 -9.406 -4.639 1.00 0.00 C ATOM 67 CD LYS A 5 -0.756 -10.627 -5.432 1.00 0.00 C ATOM 68 CE LYS A 5 -1.268 -11.901 -4.755 1.00 0.00 C ATOM 69 NZ LYS A 5 -0.791 -13.093 -5.511 1.00 0.00 N ATOM 0 H LYS A 5 -3.022 -7.247 -5.433 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.898 -7.054 -3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.046 -8.058 -6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.403 -8.167 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.875 -9.473 -3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.313 -9.377 -4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.126 -10.573 -6.456 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.333 -10.643 -5.486 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.914 -11.945 -3.725 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.357 -11.893 -4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.139 -13.958 -5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.149 -13.052 -6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.249 -13.102 -5.524 1.00 0.00 H new ATOM 83 N ILE A 6 0.781 -5.437 -4.532 1.00 0.00 N ATOM 84 CA ILE A 6 1.562 -4.248 -4.984 1.00 0.00 C ATOM 85 C ILE A 6 1.853 -4.366 -6.486 1.00 0.00 C ATOM 86 O ILE A 6 1.749 -3.411 -7.229 1.00 0.00 O ATOM 87 CB ILE A 6 2.885 -4.200 -4.214 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.602 -3.914 -2.734 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.781 -3.096 -4.787 1.00 0.00 C ATOM 90 CD1 ILE A 6 3.877 -4.148 -1.919 1.00 0.00 C ATOM 0 H ILE A 6 1.256 -6.027 -3.849 1.00 0.00 H new ATOM 0 HA ILE A 6 0.990 -3.339 -4.797 1.00 0.00 H new ATOM 0 HB ILE A 6 3.393 -5.159 -4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.261 -2.886 -2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.803 -4.561 -2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.721 -3.067 -4.235 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.984 -3.301 -5.838 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.277 -2.134 -4.696 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.678 -3.945 -0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.198 -5.183 -2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.663 -3.482 -2.275 1.00 0.00 H new ATOM 102 N ARG A 7 2.230 -5.533 -6.938 1.00 0.00 N ATOM 103 CA ARG A 7 2.539 -5.714 -8.385 1.00 0.00 C ATOM 104 C ARG A 7 1.258 -5.563 -9.212 1.00 0.00 C ATOM 105 O ARG A 7 1.297 -5.401 -10.416 1.00 0.00 O ATOM 106 CB ARG A 7 3.149 -7.103 -8.603 1.00 0.00 C ATOM 107 CG ARG A 7 2.153 -8.184 -8.169 1.00 0.00 C ATOM 108 CD ARG A 7 2.777 -9.568 -8.372 1.00 0.00 C ATOM 109 NE ARG A 7 2.939 -9.829 -9.831 1.00 0.00 N ATOM 110 CZ ARG A 7 3.483 -10.943 -10.245 1.00 0.00 C ATOM 111 NH1 ARG A 7 3.889 -11.834 -9.383 1.00 0.00 N ATOM 112 NH2 ARG A 7 3.621 -11.164 -11.524 1.00 0.00 N ATOM 0 H ARG A 7 2.337 -6.370 -6.365 1.00 0.00 H new ATOM 0 HA ARG A 7 3.253 -4.955 -8.704 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.408 -7.235 -9.654 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.073 -7.198 -8.033 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.884 -8.045 -7.122 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.234 -8.100 -8.749 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.744 -9.620 -7.872 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.145 -10.334 -7.922 1.00 0.00 H new ATOM 0 HE ARG A 7 2.624 -9.135 -10.509 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.782 -11.662 -8.383 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.313 -12.703 -9.709 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.305 -10.468 -12.199 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.045 -12.033 -11.849 1.00 0.00 H new ATOM 126 N ASP A 8 0.122 -5.609 -8.573 1.00 0.00 N ATOM 127 CA ASP A 8 -1.165 -5.460 -9.313 1.00 0.00 C ATOM 128 C ASP A 8 -1.542 -3.977 -9.372 1.00 0.00 C ATOM 129 O ASP A 8 -2.558 -3.605 -9.922 1.00 0.00 O ATOM 130 CB ASP A 8 -2.258 -6.242 -8.581 1.00 0.00 C ATOM 131 CG ASP A 8 -2.000 -7.744 -8.729 1.00 0.00 C ATOM 132 OD1 ASP A 8 -1.187 -8.107 -9.563 1.00 0.00 O ATOM 133 OD2 ASP A 8 -2.624 -8.506 -8.009 1.00 0.00 O ATOM 0 H ASP A 8 0.028 -5.744 -7.566 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.059 -5.847 -10.326 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.272 -5.967 -7.526 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.236 -5.989 -8.989 1.00 0.00 H new ATOM 138 N VAL A 9 -0.732 -3.127 -8.802 1.00 0.00 N ATOM 139 CA VAL A 9 -1.046 -1.670 -8.816 1.00 0.00 C ATOM 140 C VAL A 9 -0.963 -1.129 -10.245 1.00 0.00 C ATOM 141 O VAL A 9 -0.016 -1.382 -10.963 1.00 0.00 O ATOM 142 CB VAL A 9 -0.042 -0.933 -7.927 1.00 0.00 C ATOM 143 CG1 VAL A 9 -0.238 0.581 -8.064 1.00 0.00 C ATOM 144 CG2 VAL A 9 -0.267 -1.344 -6.472 1.00 0.00 C ATOM 0 H VAL A 9 0.135 -3.379 -8.327 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.057 -1.514 -8.439 1.00 0.00 H new ATOM 0 HB VAL A 9 0.972 -1.191 -8.233 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.480 1.100 -7.429 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.083 0.875 -9.102 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.250 0.846 -7.759 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.445 -0.823 -5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.282 -1.083 -6.173 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.125 -2.420 -6.372 1.00 0.00 H new ATOM 154 N SER A 10 -1.948 -0.380 -10.659 1.00 0.00 N ATOM 155 CA SER A 10 -1.927 0.182 -12.037 1.00 0.00 C ATOM 156 C SER A 10 -2.852 1.397 -12.110 1.00 0.00 C ATOM 157 O SER A 10 -3.611 1.671 -11.205 1.00 0.00 O ATOM 158 CB SER A 10 -2.409 -0.877 -13.028 1.00 0.00 C ATOM 159 OG SER A 10 -2.513 -0.294 -14.320 1.00 0.00 O ATOM 0 H SER A 10 -2.766 -0.133 -10.102 1.00 0.00 H new ATOM 0 HA SER A 10 -0.909 0.482 -12.287 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.713 -1.716 -13.049 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.375 -1.272 -12.715 1.00 0.00 H new ATOM 0 HG SER A 10 -2.820 -0.970 -14.960 1.00 0.00 H new ATOM 165 N LEU A 11 -2.797 2.118 -13.191 1.00 0.00 N ATOM 166 CA LEU A 11 -3.671 3.313 -13.349 1.00 0.00 C ATOM 167 C LEU A 11 -5.137 2.867 -13.383 1.00 0.00 C ATOM 168 O LEU A 11 -6.018 3.550 -12.900 1.00 0.00 O ATOM 169 CB LEU A 11 -3.307 4.015 -14.661 1.00 0.00 C ATOM 170 CG LEU A 11 -2.056 4.891 -14.470 1.00 0.00 C ATOM 171 CD1 LEU A 11 -2.371 6.131 -13.609 1.00 0.00 C ATOM 172 CD2 LEU A 11 -0.950 4.063 -13.803 1.00 0.00 C ATOM 0 H LEU A 11 -2.179 1.930 -13.980 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.529 3.999 -12.514 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.125 3.274 -15.439 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.142 4.630 -14.996 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.722 5.234 -15.449 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.469 6.731 -13.491 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.142 6.727 -14.098 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.726 5.813 -12.629 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.063 4.682 -13.667 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.297 3.708 -12.833 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.703 3.210 -14.435 1.00 0.00 H new ATOM 184 N SER A 12 -5.405 1.734 -13.964 1.00 0.00 N ATOM 185 CA SER A 12 -6.810 1.252 -14.040 1.00 0.00 C ATOM 186 C SER A 12 -7.392 1.130 -12.629 1.00 0.00 C ATOM 187 O SER A 12 -8.594 1.122 -12.447 1.00 0.00 O ATOM 188 CB SER A 12 -6.826 -0.114 -14.716 1.00 0.00 C ATOM 189 OG SER A 12 -6.155 -1.049 -13.884 1.00 0.00 O ATOM 0 H SER A 12 -4.711 1.120 -14.390 1.00 0.00 H new ATOM 0 HA SER A 12 -7.410 1.958 -14.613 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.853 -0.435 -14.892 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.338 -0.058 -15.689 1.00 0.00 H new ATOM 0 HG SER A 12 -6.162 -1.931 -14.311 1.00 0.00 H new ATOM 195 N THR A 13 -6.550 1.041 -11.628 1.00 0.00 N ATOM 196 CA THR A 13 -7.040 0.925 -10.218 1.00 0.00 C ATOM 197 C THR A 13 -6.651 2.200 -9.449 1.00 0.00 C ATOM 198 O THR A 13 -5.676 2.216 -8.723 1.00 0.00 O ATOM 199 CB THR A 13 -6.392 -0.301 -9.568 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.056 -0.002 -9.188 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.400 -1.457 -10.568 1.00 0.00 C ATOM 0 H THR A 13 -5.535 1.044 -11.728 1.00 0.00 H new ATOM 0 HA THR A 13 -8.124 0.811 -10.199 1.00 0.00 H new ATOM 0 HB THR A 13 -6.954 -0.581 -8.677 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.060 0.693 -8.497 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.940 -2.335 -10.113 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.428 -1.689 -10.847 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.838 -1.173 -11.457 1.00 0.00 H new ATOM 209 N PRO A 14 -7.393 3.278 -9.626 1.00 0.00 N ATOM 210 CA PRO A 14 -7.090 4.576 -8.947 1.00 0.00 C ATOM 211 C PRO A 14 -7.305 4.506 -7.433 1.00 0.00 C ATOM 212 O PRO A 14 -6.714 5.256 -6.686 1.00 0.00 O ATOM 213 CB PRO A 14 -8.065 5.575 -9.597 1.00 0.00 C ATOM 214 CG PRO A 14 -9.197 4.739 -10.100 1.00 0.00 C ATOM 215 CD PRO A 14 -8.599 3.381 -10.476 1.00 0.00 C ATOM 0 HA PRO A 14 -6.044 4.859 -9.068 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.411 6.315 -8.875 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.587 6.122 -10.410 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.966 4.626 -9.336 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.671 5.207 -10.963 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.298 2.568 -10.279 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.347 3.335 -11.535 1.00 0.00 H new ATOM 223 N TYR A 15 -8.145 3.612 -6.979 1.00 0.00 N ATOM 224 CA TYR A 15 -8.405 3.486 -5.512 1.00 0.00 C ATOM 225 C TYR A 15 -8.157 2.045 -5.086 1.00 0.00 C ATOM 226 O TYR A 15 -8.901 1.151 -5.435 1.00 0.00 O ATOM 227 CB TYR A 15 -9.861 3.860 -5.227 1.00 0.00 C ATOM 228 CG TYR A 15 -10.084 5.307 -5.605 1.00 0.00 C ATOM 229 CD1 TYR A 15 -9.531 6.327 -4.821 1.00 0.00 C ATOM 230 CD2 TYR A 15 -10.845 5.630 -6.738 1.00 0.00 C ATOM 231 CE1 TYR A 15 -9.737 7.669 -5.169 1.00 0.00 C ATOM 232 CE2 TYR A 15 -11.050 6.972 -7.084 1.00 0.00 C ATOM 233 CZ TYR A 15 -10.497 7.990 -6.300 1.00 0.00 C ATOM 234 OH TYR A 15 -10.701 9.312 -6.641 1.00 0.00 O ATOM 0 H TYR A 15 -8.666 2.959 -7.565 1.00 0.00 H new ATOM 0 HA TYR A 15 -7.743 4.151 -4.957 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.533 3.216 -5.794 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.089 3.708 -4.172 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.946 6.080 -3.948 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.273 4.845 -7.343 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -9.309 8.455 -4.565 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.635 7.221 -7.957 1.00 0.00 H new ATOM 0 HH TYR A 15 -11.249 9.360 -7.452 1.00 0.00 H new ATOM 244 N VAL A 16 -7.111 1.804 -4.335 1.00 0.00 N ATOM 245 CA VAL A 16 -6.817 0.406 -3.889 1.00 0.00 C ATOM 246 C VAL A 16 -6.299 0.406 -2.456 1.00 0.00 C ATOM 247 O VAL A 16 -5.861 1.416 -1.943 1.00 0.00 O ATOM 248 CB VAL A 16 -5.763 -0.212 -4.803 1.00 0.00 C ATOM 249 CG1 VAL A 16 -6.369 -0.462 -6.183 1.00 0.00 C ATOM 250 CG2 VAL A 16 -4.579 0.746 -4.938 1.00 0.00 C ATOM 0 H VAL A 16 -6.450 2.511 -4.012 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.737 -0.177 -3.937 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.423 -1.156 -4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.616 -0.903 -6.836 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.215 -1.144 -6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.709 0.483 -6.608 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.826 0.304 -5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.921 1.689 -5.364 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.145 0.928 -3.955 1.00 0.00 H new ATOM 260 N SER A 17 -6.340 -0.733 -1.808 1.00 0.00 N ATOM 261 CA SER A 17 -5.841 -0.835 -0.403 1.00 0.00 C ATOM 262 C SER A 17 -4.658 -1.804 -0.366 1.00 0.00 C ATOM 263 O SER A 17 -4.700 -2.859 -0.969 1.00 0.00 O ATOM 264 CB SER A 17 -6.962 -1.365 0.488 1.00 0.00 C ATOM 265 OG SER A 17 -6.455 -1.574 1.799 1.00 0.00 O ATOM 0 H SER A 17 -6.702 -1.604 -2.197 1.00 0.00 H new ATOM 0 HA SER A 17 -5.524 0.145 -0.046 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.789 -0.656 0.513 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.354 -2.298 0.084 1.00 0.00 H new ATOM 0 HG SER A 17 -5.871 -0.827 2.047 1.00 0.00 H new ATOM 271 N VAL A 18 -3.599 -1.457 0.327 1.00 0.00 N ATOM 272 CA VAL A 18 -2.408 -2.366 0.395 1.00 0.00 C ATOM 273 C VAL A 18 -1.885 -2.443 1.829 1.00 0.00 C ATOM 274 O VAL A 18 -2.173 -1.600 2.655 1.00 0.00 O ATOM 275 CB VAL A 18 -1.307 -1.829 -0.524 1.00 0.00 C ATOM 276 CG1 VAL A 18 -1.783 -1.897 -1.975 1.00 0.00 C ATOM 277 CG2 VAL A 18 -0.995 -0.373 -0.163 1.00 0.00 C ATOM 0 H VAL A 18 -3.507 -0.585 0.848 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.702 -3.365 0.072 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.408 -2.433 -0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.002 -1.515 -2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.005 -2.932 -2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.683 -1.293 -2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.211 0.005 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.893 0.232 -0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.658 -0.319 0.872 1.00 0.00 H new ATOM 287 N ILE A 19 -1.110 -3.456 2.129 1.00 0.00 N ATOM 288 CA ILE A 19 -0.552 -3.605 3.506 1.00 0.00 C ATOM 289 C ILE A 19 0.897 -4.072 3.416 1.00 0.00 C ATOM 290 O ILE A 19 1.239 -4.892 2.588 1.00 0.00 O ATOM 291 CB ILE A 19 -1.368 -4.642 4.281 1.00 0.00 C ATOM 292 CG1 ILE A 19 -0.843 -4.722 5.716 1.00 0.00 C ATOM 293 CG2 ILE A 19 -1.230 -6.010 3.612 1.00 0.00 C ATOM 294 CD1 ILE A 19 -1.814 -5.536 6.570 1.00 0.00 C ATOM 0 H ILE A 19 -0.839 -4.190 1.474 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.599 -2.646 4.021 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.418 -4.349 4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.144 -5.184 5.728 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.731 -3.720 6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.812 -6.746 4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.598 -5.953 2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.181 -6.307 3.605 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.440 -5.593 7.592 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.792 -5.055 6.568 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.904 -6.542 6.160 1.00 0.00 H new ATOM 306 N GLY A 20 1.758 -3.564 4.255 1.00 0.00 N ATOM 307 CA GLY A 20 3.177 -4.006 4.187 1.00 0.00 C ATOM 308 C GLY A 20 4.020 -3.223 5.191 1.00 0.00 C ATOM 309 O GLY A 20 3.499 -2.570 6.074 1.00 0.00 O ATOM 0 H GLY A 20 1.544 -2.873 4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.244 -5.073 4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.565 -3.856 3.179 1.00 0.00 H new ATOM 313 N LYS A 21 5.325 -3.289 5.064 1.00 0.00 N ATOM 314 CA LYS A 21 6.218 -2.555 6.012 1.00 0.00 C ATOM 315 C LYS A 21 6.823 -1.345 5.312 1.00 0.00 C ATOM 316 O LYS A 21 7.339 -1.438 4.216 1.00 0.00 O ATOM 317 CB LYS A 21 7.328 -3.494 6.481 1.00 0.00 C ATOM 318 CG LYS A 21 8.197 -2.785 7.521 1.00 0.00 C ATOM 319 CD LYS A 21 9.241 -3.765 8.061 1.00 0.00 C ATOM 320 CE LYS A 21 10.105 -3.067 9.112 1.00 0.00 C ATOM 321 NZ LYS A 21 9.253 -2.648 10.262 1.00 0.00 N ATOM 0 H LYS A 21 5.809 -3.822 4.342 1.00 0.00 H new ATOM 0 HA LYS A 21 5.642 -2.215 6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.896 -4.398 6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.939 -3.803 5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.689 -1.922 7.073 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.577 -2.411 8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.748 -4.633 8.499 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.866 -4.131 7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.892 -3.739 9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.596 -2.198 8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.825 -2.100 10.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.467 -2.061 9.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.872 -3.491 10.737 1.00 0.00 H new ATOM 335 N ILE A 22 6.755 -0.201 5.942 1.00 0.00 N ATOM 336 CA ILE A 22 7.311 1.043 5.335 1.00 0.00 C ATOM 337 C ILE A 22 8.654 1.379 5.980 1.00 0.00 C ATOM 338 O ILE A 22 8.793 1.349 7.191 1.00 0.00 O ATOM 339 CB ILE A 22 6.332 2.193 5.567 1.00 0.00 C ATOM 340 CG1 ILE A 22 5.051 1.924 4.769 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.966 3.515 5.121 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.966 2.930 5.163 1.00 0.00 C ATOM 0 H ILE A 22 6.333 -0.075 6.862 1.00 0.00 H new ATOM 0 HA ILE A 22 7.457 0.892 4.265 1.00 0.00 H new ATOM 0 HB ILE A 22 6.091 2.265 6.628 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.256 1.998 3.701 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.702 0.909 4.957 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.263 4.331 5.289 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.875 3.695 5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.212 3.461 4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.060 2.731 4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.751 2.835 6.227 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.313 3.941 4.952 1.00 0.00 H new ATOM 354 N THR A 23 9.642 1.700 5.174 1.00 0.00 N ATOM 355 CA THR A 23 10.993 2.049 5.718 1.00 0.00 C ATOM 356 C THR A 23 11.532 3.291 5.002 1.00 0.00 C ATOM 357 O THR A 23 11.108 3.627 3.912 1.00 0.00 O ATOM 358 CB THR A 23 11.957 0.885 5.479 1.00 0.00 C ATOM 359 OG1 THR A 23 12.239 0.787 4.090 1.00 0.00 O ATOM 360 CG2 THR A 23 11.321 -0.417 5.961 1.00 0.00 C ATOM 0 H THR A 23 9.568 1.735 4.157 1.00 0.00 H new ATOM 0 HA THR A 23 10.907 2.247 6.786 1.00 0.00 H new ATOM 0 HB THR A 23 12.881 1.060 6.030 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.858 0.043 3.933 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.010 -1.244 5.789 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.102 -0.342 7.026 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.396 -0.595 5.412 1.00 0.00 H new ATOM 368 N GLY A 24 12.479 3.970 5.605 1.00 0.00 N ATOM 369 CA GLY A 24 13.066 5.187 4.963 1.00 0.00 C ATOM 370 C GLY A 24 12.346 6.443 5.461 1.00 0.00 C ATOM 371 O GLY A 24 12.795 7.105 6.376 1.00 0.00 O ATOM 0 H GLY A 24 12.871 3.732 6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.129 5.252 5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.979 5.114 3.879 1.00 0.00 H new ATOM 375 N ILE A 25 11.235 6.775 4.858 1.00 0.00 N ATOM 376 CA ILE A 25 10.472 7.991 5.274 1.00 0.00 C ATOM 377 C ILE A 25 11.364 9.229 5.206 1.00 0.00 C ATOM 378 O ILE A 25 12.240 9.431 6.023 1.00 0.00 O ATOM 379 CB ILE A 25 9.940 7.819 6.702 1.00 0.00 C ATOM 380 CG1 ILE A 25 9.041 6.574 6.770 1.00 0.00 C ATOM 381 CG2 ILE A 25 9.147 9.064 7.117 1.00 0.00 C ATOM 382 CD1 ILE A 25 7.885 6.667 5.760 1.00 0.00 C ATOM 0 H ILE A 25 10.819 6.251 4.088 1.00 0.00 H new ATOM 0 HA ILE A 25 9.633 8.120 4.591 1.00 0.00 H new ATOM 0 HB ILE A 25 10.779 7.692 7.387 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.634 5.682 6.567 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.639 6.467 7.778 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.772 8.935 8.132 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.796 9.939 7.078 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.308 9.205 6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.267 5.772 5.831 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.279 7.546 5.981 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.289 6.749 4.751 1.00 0.00 H new ATOM 394 N HIS A 26 11.125 10.065 4.226 1.00 0.00 N ATOM 395 CA HIS A 26 11.920 11.321 4.063 1.00 0.00 C ATOM 396 C HIS A 26 10.956 12.498 3.914 1.00 0.00 C ATOM 397 O HIS A 26 9.945 12.405 3.246 1.00 0.00 O ATOM 398 CB HIS A 26 12.796 11.208 2.816 1.00 0.00 C ATOM 399 CG HIS A 26 13.855 10.168 3.050 1.00 0.00 C ATOM 400 ND1 HIS A 26 13.640 8.823 2.795 1.00 0.00 N ATOM 401 CD2 HIS A 26 15.140 10.260 3.523 1.00 0.00 C ATOM 402 CE1 HIS A 26 14.770 8.164 3.112 1.00 0.00 C ATOM 403 NE2 HIS A 26 15.717 8.994 3.562 1.00 0.00 N ATOM 0 H HIS A 26 10.401 9.927 3.521 1.00 0.00 H new ATOM 0 HA HIS A 26 12.557 11.477 4.933 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.188 10.937 1.953 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.257 12.170 2.592 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.629 11.176 3.820 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.896 7.096 3.015 1.00 0.00 H new ATOM 0 HE2 HIS A 26 16.659 8.752 3.868 1.00 0.00 H new ATOM 411 N LYS A 27 11.254 13.601 4.546 1.00 0.00 N ATOM 412 CA LYS A 27 10.350 14.784 4.462 1.00 0.00 C ATOM 413 C LYS A 27 10.752 15.680 3.286 1.00 0.00 C ATOM 414 O LYS A 27 11.915 15.949 3.066 1.00 0.00 O ATOM 415 CB LYS A 27 10.456 15.579 5.764 1.00 0.00 C ATOM 416 CG LYS A 27 9.483 16.757 5.726 1.00 0.00 C ATOM 417 CD LYS A 27 9.516 17.490 7.066 1.00 0.00 C ATOM 418 CE LYS A 27 8.517 18.647 7.034 1.00 0.00 C ATOM 419 NZ LYS A 27 8.968 19.665 6.042 1.00 0.00 N ATOM 0 H LYS A 27 12.087 13.734 5.119 1.00 0.00 H new ATOM 0 HA LYS A 27 9.326 14.444 4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.231 14.935 6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.475 15.940 5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.753 17.439 4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.474 16.402 5.519 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.269 16.803 7.875 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.520 17.866 7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.526 18.279 6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.435 19.098 8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.497 20.572 6.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.998 19.787 6.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.723 19.347 5.083 1.00 0.00 H new ATOM 433 N LYS A 28 9.791 16.151 2.536 1.00 0.00 N ATOM 434 CA LYS A 28 10.099 17.041 1.379 1.00 0.00 C ATOM 435 C LYS A 28 8.940 18.021 1.185 1.00 0.00 C ATOM 436 O LYS A 28 7.811 17.719 1.515 1.00 0.00 O ATOM 437 CB LYS A 28 10.276 16.195 0.121 1.00 0.00 C ATOM 438 CG LYS A 28 10.655 17.104 -1.046 1.00 0.00 C ATOM 439 CD LYS A 28 10.914 16.255 -2.286 1.00 0.00 C ATOM 440 CE LYS A 28 11.284 17.166 -3.455 1.00 0.00 C ATOM 441 NZ LYS A 28 12.563 17.871 -3.154 1.00 0.00 N ATOM 0 H LYS A 28 8.800 15.956 2.676 1.00 0.00 H new ATOM 0 HA LYS A 28 11.019 17.594 1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.050 15.444 0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.354 15.659 -0.104 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.854 17.817 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.544 17.683 -0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.719 15.546 -2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.027 15.671 -2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.386 16.580 -4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.489 17.891 -3.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.988 18.212 -4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.375 18.679 -2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.219 17.214 -2.686 1.00 0.00 H new ATOM 455 N GLU A 29 9.208 19.196 0.661 1.00 0.00 N ATOM 456 CA GLU A 29 8.120 20.210 0.449 1.00 0.00 C ATOM 457 C GLU A 29 7.978 20.523 -1.040 1.00 0.00 C ATOM 458 O GLU A 29 8.944 20.534 -1.776 1.00 0.00 O ATOM 459 CB GLU A 29 8.467 21.481 1.219 1.00 0.00 C ATOM 460 CG GLU A 29 8.331 21.197 2.713 1.00 0.00 C ATOM 461 CD GLU A 29 8.723 22.438 3.509 1.00 0.00 C ATOM 462 OE1 GLU A 29 9.082 23.425 2.889 1.00 0.00 O ATOM 463 OE2 GLU A 29 8.655 22.382 4.726 1.00 0.00 O ATOM 0 H GLU A 29 10.138 19.498 0.370 1.00 0.00 H new ATOM 0 HA GLU A 29 7.173 19.810 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.483 21.800 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.803 22.294 0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.305 20.912 2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.967 20.357 2.993 1.00 0.00 H new ATOM 470 N TYR A 30 6.773 20.763 -1.494 1.00 0.00 N ATOM 471 CA TYR A 30 6.561 21.054 -2.942 1.00 0.00 C ATOM 472 C TYR A 30 5.439 22.084 -3.106 1.00 0.00 C ATOM 473 O TYR A 30 4.646 22.302 -2.212 1.00 0.00 O ATOM 474 CB TYR A 30 6.158 19.757 -3.653 1.00 0.00 C ATOM 475 CG TYR A 30 4.796 19.306 -3.153 1.00 0.00 C ATOM 476 CD1 TYR A 30 4.644 18.833 -1.841 1.00 0.00 C ATOM 477 CD2 TYR A 30 3.679 19.381 -3.998 1.00 0.00 C ATOM 478 CE1 TYR A 30 3.381 18.435 -1.380 1.00 0.00 C ATOM 479 CE2 TYR A 30 2.418 18.983 -3.534 1.00 0.00 C ATOM 480 CZ TYR A 30 2.270 18.511 -2.226 1.00 0.00 C ATOM 481 OH TYR A 30 1.027 18.119 -1.768 1.00 0.00 O ATOM 0 H TYR A 30 5.928 20.770 -0.923 1.00 0.00 H new ATOM 0 HA TYR A 30 7.480 21.451 -3.373 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.127 19.915 -4.731 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.901 18.982 -3.466 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.500 18.775 -1.186 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.791 19.746 -5.008 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.266 18.069 -0.370 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.560 19.041 -4.187 1.00 0.00 H new ATOM 0 HH TYR A 30 0.954 17.143 -1.815 1.00 0.00 H new ATOM 491 N GLU A 31 5.363 22.707 -4.249 1.00 0.00 N ATOM 492 CA GLU A 31 4.290 23.711 -4.486 1.00 0.00 C ATOM 493 C GLU A 31 2.986 22.999 -4.863 1.00 0.00 C ATOM 494 O GLU A 31 2.991 22.015 -5.574 1.00 0.00 O ATOM 495 CB GLU A 31 4.719 24.628 -5.627 1.00 0.00 C ATOM 496 CG GLU A 31 5.849 25.530 -5.137 1.00 0.00 C ATOM 497 CD GLU A 31 6.351 26.400 -6.289 1.00 0.00 C ATOM 498 OE1 GLU A 31 5.842 26.247 -7.387 1.00 0.00 O ATOM 499 OE2 GLU A 31 7.236 27.205 -6.052 1.00 0.00 O ATOM 0 H GLU A 31 6.001 22.563 -5.032 1.00 0.00 H new ATOM 0 HA GLU A 31 4.126 24.295 -3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.051 24.037 -6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.875 25.230 -5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.496 26.160 -4.320 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.666 24.925 -4.743 1.00 0.00 H new ATOM 506 N SER A 32 1.866 23.488 -4.391 1.00 0.00 N ATOM 507 CA SER A 32 0.562 22.839 -4.722 1.00 0.00 C ATOM 508 C SER A 32 -0.524 23.913 -4.861 1.00 0.00 C ATOM 509 O SER A 32 -0.978 24.482 -3.890 1.00 0.00 O ATOM 510 CB SER A 32 0.190 21.868 -3.601 1.00 0.00 C ATOM 511 OG SER A 32 -0.956 21.119 -3.984 1.00 0.00 O ATOM 0 H SER A 32 1.800 24.310 -3.790 1.00 0.00 H new ATOM 0 HA SER A 32 0.647 22.295 -5.663 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.024 21.197 -3.395 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.012 22.417 -2.682 1.00 0.00 H new ATOM 0 HG SER A 32 -1.194 20.495 -3.266 1.00 0.00 H new ATOM 517 N ASP A 33 -0.938 24.191 -6.069 1.00 0.00 N ATOM 518 CA ASP A 33 -1.993 25.223 -6.295 1.00 0.00 C ATOM 519 C ASP A 33 -1.548 26.575 -5.721 1.00 0.00 C ATOM 520 O ASP A 33 -2.353 27.361 -5.259 1.00 0.00 O ATOM 521 CB ASP A 33 -3.304 24.776 -5.637 1.00 0.00 C ATOM 522 CG ASP A 33 -4.450 25.658 -6.138 1.00 0.00 C ATOM 523 OD1 ASP A 33 -4.296 26.253 -7.192 1.00 0.00 O ATOM 524 OD2 ASP A 33 -5.463 25.722 -5.461 1.00 0.00 O ATOM 0 H ASP A 33 -0.588 23.744 -6.916 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.152 25.337 -7.367 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.505 23.731 -5.873 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.222 24.848 -4.552 1.00 0.00 H new ATOM 529 N GLY A 34 -0.275 26.861 -5.764 1.00 0.00 N ATOM 530 CA GLY A 34 0.220 28.169 -5.241 1.00 0.00 C ATOM 531 C GLY A 34 0.420 28.088 -3.729 1.00 0.00 C ATOM 532 O GLY A 34 0.718 29.074 -3.085 1.00 0.00 O ATOM 0 H GLY A 34 0.446 26.245 -6.139 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.160 28.431 -5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.493 28.958 -5.480 1.00 0.00 H new ATOM 536 N THR A 35 0.262 26.920 -3.155 1.00 0.00 N ATOM 537 CA THR A 35 0.445 26.762 -1.678 1.00 0.00 C ATOM 538 C THR A 35 1.446 25.638 -1.410 1.00 0.00 C ATOM 539 O THR A 35 1.313 24.540 -1.909 1.00 0.00 O ATOM 540 CB THR A 35 -0.899 26.420 -1.036 1.00 0.00 C ATOM 541 OG1 THR A 35 -1.824 27.466 -1.303 1.00 0.00 O ATOM 542 CG2 THR A 35 -0.717 26.273 0.473 1.00 0.00 C ATOM 0 H THR A 35 0.012 26.064 -3.650 1.00 0.00 H new ATOM 0 HA THR A 35 0.823 27.691 -1.252 1.00 0.00 H new ATOM 0 HB THR A 35 -1.276 25.484 -1.448 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.688 27.250 -0.895 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.675 26.029 0.933 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.003 25.475 0.677 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.344 27.209 0.887 1.00 0.00 H new ATOM 550 N THR A 36 2.457 25.909 -0.632 1.00 0.00 N ATOM 551 CA THR A 36 3.473 24.863 -0.337 1.00 0.00 C ATOM 552 C THR A 36 2.889 23.819 0.617 1.00 0.00 C ATOM 553 O THR A 36 2.264 24.150 1.605 1.00 0.00 O ATOM 554 CB THR A 36 4.693 25.516 0.310 1.00 0.00 C ATOM 555 OG1 THR A 36 5.138 26.585 -0.512 1.00 0.00 O ATOM 556 CG2 THR A 36 5.811 24.484 0.456 1.00 0.00 C ATOM 0 H THR A 36 2.623 26.812 -0.187 1.00 0.00 H new ATOM 0 HA THR A 36 3.764 24.372 -1.266 1.00 0.00 H new ATOM 0 HB THR A 36 4.425 25.896 1.296 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.920 27.010 -0.101 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.680 24.952 0.918 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.467 23.661 1.082 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.084 24.102 -0.528 1.00 0.00 H new ATOM 564 N LYS A 37 3.096 22.556 0.330 1.00 0.00 N ATOM 565 CA LYS A 37 2.563 21.474 1.213 1.00 0.00 C ATOM 566 C LYS A 37 3.677 20.468 1.497 1.00 0.00 C ATOM 567 O LYS A 37 4.505 20.187 0.654 1.00 0.00 O ATOM 568 CB LYS A 37 1.404 20.780 0.498 1.00 0.00 C ATOM 569 CG LYS A 37 0.271 21.786 0.244 1.00 0.00 C ATOM 570 CD LYS A 37 -0.365 22.227 1.571 1.00 0.00 C ATOM 571 CE LYS A 37 -1.743 22.837 1.301 1.00 0.00 C ATOM 572 NZ LYS A 37 -2.711 21.750 0.990 1.00 0.00 N ATOM 0 H LYS A 37 3.615 22.228 -0.484 1.00 0.00 H new ATOM 0 HA LYS A 37 2.210 21.894 2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.748 20.359 -0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.037 19.950 1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.661 22.655 -0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.487 21.335 -0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.459 21.374 2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.275 22.955 2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.080 23.402 2.170 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.686 23.538 0.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.680 22.090 1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.608 21.468 -0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.523 20.931 1.603 1.00 0.00 H new ATOM 586 N SER A 38 3.716 19.935 2.687 1.00 0.00 N ATOM 587 CA SER A 38 4.785 18.959 3.032 1.00 0.00 C ATOM 588 C SER A 38 4.348 17.551 2.635 1.00 0.00 C ATOM 589 O SER A 38 3.182 17.208 2.712 1.00 0.00 O ATOM 590 CB SER A 38 5.034 19.006 4.535 1.00 0.00 C ATOM 591 OG SER A 38 3.894 18.498 5.213 1.00 0.00 O ATOM 0 H SER A 38 3.052 20.134 3.436 1.00 0.00 H new ATOM 0 HA SER A 38 5.699 19.215 2.495 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.915 18.417 4.788 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.234 20.030 4.851 1.00 0.00 H new ATOM 0 HG SER A 38 4.050 18.524 6.180 1.00 0.00 H new ATOM 597 N VAL A 39 5.275 16.726 2.220 1.00 0.00 N ATOM 598 CA VAL A 39 4.922 15.333 1.824 1.00 0.00 C ATOM 599 C VAL A 39 6.009 14.374 2.305 1.00 0.00 C ATOM 600 O VAL A 39 7.186 14.667 2.240 1.00 0.00 O ATOM 601 CB VAL A 39 4.798 15.252 0.299 1.00 0.00 C ATOM 602 CG1 VAL A 39 6.116 15.667 -0.360 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.452 13.818 -0.112 1.00 0.00 C ATOM 0 H VAL A 39 6.264 16.960 2.139 1.00 0.00 H new ATOM 0 HA VAL A 39 3.971 15.055 2.279 1.00 0.00 H new ATOM 0 HB VAL A 39 4.008 15.928 -0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.016 15.606 -1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.359 16.691 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.913 15.000 -0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.364 13.762 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.239 13.143 0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.506 13.527 0.344 1.00 0.00 H new ATOM 613 N TYR A 40 5.615 13.223 2.782 1.00 0.00 N ATOM 614 CA TYR A 40 6.603 12.216 3.260 1.00 0.00 C ATOM 615 C TYR A 40 6.699 11.111 2.212 1.00 0.00 C ATOM 616 O TYR A 40 5.696 10.593 1.763 1.00 0.00 O ATOM 617 CB TYR A 40 6.115 11.626 4.583 1.00 0.00 C ATOM 618 CG TYR A 40 6.165 12.692 5.650 1.00 0.00 C ATOM 619 CD1 TYR A 40 5.121 13.616 5.767 1.00 0.00 C ATOM 620 CD2 TYR A 40 7.257 12.755 6.525 1.00 0.00 C ATOM 621 CE1 TYR A 40 5.168 14.603 6.758 1.00 0.00 C ATOM 622 CE2 TYR A 40 7.304 13.742 7.515 1.00 0.00 C ATOM 623 CZ TYR A 40 6.259 14.666 7.632 1.00 0.00 C ATOM 624 OH TYR A 40 6.305 15.639 8.609 1.00 0.00 O ATOM 0 H TYR A 40 4.639 12.936 2.861 1.00 0.00 H new ATOM 0 HA TYR A 40 7.579 12.677 3.411 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.097 11.251 4.474 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.738 10.779 4.869 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.279 13.568 5.093 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.063 12.041 6.435 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.362 15.316 6.848 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.146 13.791 8.189 1.00 0.00 H new ATOM 0 HH TYR A 40 7.129 15.541 9.130 1.00 0.00 H new ATOM 634 N GLN A 41 7.893 10.752 1.809 1.00 0.00 N ATOM 635 CA GLN A 41 8.062 9.683 0.774 1.00 0.00 C ATOM 636 C GLN A 41 8.903 8.553 1.347 1.00 0.00 C ATOM 637 O GLN A 41 9.711 8.754 2.229 1.00 0.00 O ATOM 638 CB GLN A 41 8.766 10.276 -0.446 1.00 0.00 C ATOM 639 CG GLN A 41 7.805 11.218 -1.171 1.00 0.00 C ATOM 640 CD GLN A 41 8.515 11.852 -2.366 1.00 0.00 C ATOM 641 OE1 GLN A 41 9.177 11.172 -3.125 1.00 0.00 O ATOM 642 NE2 GLN A 41 8.403 13.135 -2.569 1.00 0.00 N ATOM 0 H GLN A 41 8.764 11.156 2.154 1.00 0.00 H new ATOM 0 HA GLN A 41 7.086 9.294 0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.661 10.817 -0.138 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.090 9.480 -1.117 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.925 10.669 -1.507 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.456 11.993 -0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.847 13.706 -1.932 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.871 13.568 -3.365 1.00 0.00 H new ATOM 651 N GLY A 42 8.718 7.360 0.857 1.00 0.00 N ATOM 652 CA GLY A 42 9.508 6.223 1.383 1.00 0.00 C ATOM 653 C GLY A 42 9.272 4.997 0.508 1.00 0.00 C ATOM 654 O GLY A 42 8.693 5.088 -0.557 1.00 0.00 O ATOM 0 H GLY A 42 8.055 7.127 0.117 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.568 6.477 1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.219 6.010 2.412 1.00 0.00 H new ATOM 658 N TYR A 43 9.719 3.851 0.949 1.00 0.00 N ATOM 659 CA TYR A 43 9.534 2.597 0.158 1.00 0.00 C ATOM 660 C TYR A 43 8.793 1.572 1.008 1.00 0.00 C ATOM 661 O TYR A 43 9.069 1.420 2.182 1.00 0.00 O ATOM 662 CB TYR A 43 10.905 2.042 -0.218 1.00 0.00 C ATOM 663 CG TYR A 43 11.523 2.918 -1.275 1.00 0.00 C ATOM 664 CD1 TYR A 43 12.261 4.048 -0.908 1.00 0.00 C ATOM 665 CD2 TYR A 43 11.356 2.598 -2.626 1.00 0.00 C ATOM 666 CE1 TYR A 43 12.834 4.859 -1.895 1.00 0.00 C ATOM 667 CE2 TYR A 43 11.928 3.405 -3.612 1.00 0.00 C ATOM 668 CZ TYR A 43 12.667 4.537 -3.248 1.00 0.00 C ATOM 669 OH TYR A 43 13.234 5.334 -4.222 1.00 0.00 O ATOM 0 H TYR A 43 10.210 3.728 1.834 1.00 0.00 H new ATOM 0 HA TYR A 43 8.959 2.808 -0.744 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.548 2.004 0.661 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.808 1.021 -0.587 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.389 4.295 0.136 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.784 1.726 -2.907 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.404 5.732 -1.613 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.800 3.156 -4.655 1.00 0.00 H new ATOM 0 HH TYR A 43 13.023 4.969 -5.107 1.00 0.00 H new ATOM 679 N ILE A 44 7.865 0.854 0.420 1.00 0.00 N ATOM 680 CA ILE A 44 7.110 -0.184 1.189 1.00 0.00 C ATOM 681 C ILE A 44 7.386 -1.543 0.560 1.00 0.00 C ATOM 682 O ILE A 44 7.518 -1.658 -0.642 1.00 0.00 O ATOM 683 CB ILE A 44 5.607 0.106 1.137 1.00 0.00 C ATOM 684 CG1 ILE A 44 4.879 -0.892 2.044 1.00 0.00 C ATOM 685 CG2 ILE A 44 5.097 -0.045 -0.301 1.00 0.00 C ATOM 686 CD1 ILE A 44 3.429 -0.454 2.231 1.00 0.00 C ATOM 0 H ILE A 44 7.598 0.943 -0.561 1.00 0.00 H new ATOM 0 HA ILE A 44 7.430 -0.174 2.231 1.00 0.00 H new ATOM 0 HB ILE A 44 5.419 1.125 1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.914 -1.889 1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.379 -0.951 3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.027 0.163 -0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.621 0.657 -0.949 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.279 -1.063 -0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.914 -1.166 2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.404 0.535 2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.932 -0.418 1.262 1.00 0.00 H new ATOM 698 N GLU A 45 7.492 -2.572 1.363 1.00 0.00 N ATOM 699 CA GLU A 45 7.777 -3.935 0.819 1.00 0.00 C ATOM 700 C GLU A 45 6.830 -4.949 1.455 1.00 0.00 C ATOM 701 O GLU A 45 6.355 -4.769 2.559 1.00 0.00 O ATOM 702 CB GLU A 45 9.222 -4.315 1.147 1.00 0.00 C ATOM 703 CG GLU A 45 9.531 -5.695 0.561 1.00 0.00 C ATOM 704 CD GLU A 45 11.001 -6.036 0.798 1.00 0.00 C ATOM 705 OE1 GLU A 45 11.630 -5.345 1.583 1.00 0.00 O ATOM 706 OE2 GLU A 45 11.471 -6.985 0.193 1.00 0.00 O ATOM 0 H GLU A 45 7.393 -2.526 2.377 1.00 0.00 H new ATOM 0 HA GLU A 45 7.632 -3.934 -0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.907 -3.572 0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.371 -4.325 2.227 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.894 -6.448 1.024 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.313 -5.705 -0.507 1.00 0.00 H new ATOM 713 N ASP A 46 6.554 -6.023 0.762 1.00 0.00 N ATOM 714 CA ASP A 46 5.639 -7.062 1.315 1.00 0.00 C ATOM 715 C ASP A 46 6.057 -8.433 0.772 1.00 0.00 C ATOM 716 O ASP A 46 7.139 -8.602 0.248 1.00 0.00 O ATOM 717 CB ASP A 46 4.205 -6.759 0.869 1.00 0.00 C ATOM 718 CG ASP A 46 3.219 -7.588 1.694 1.00 0.00 C ATOM 719 OD1 ASP A 46 3.589 -8.005 2.780 1.00 0.00 O ATOM 720 OD2 ASP A 46 2.112 -7.795 1.227 1.00 0.00 O ATOM 0 H ASP A 46 6.925 -6.225 -0.166 1.00 0.00 H new ATOM 0 HA ASP A 46 5.692 -7.062 2.404 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.993 -5.697 0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.088 -6.987 -0.191 1.00 0.00 H new ATOM 725 N ASP A 47 5.197 -9.405 0.884 1.00 0.00 N ATOM 726 CA ASP A 47 5.515 -10.763 0.367 1.00 0.00 C ATOM 727 C ASP A 47 5.672 -10.701 -1.157 1.00 0.00 C ATOM 728 O ASP A 47 6.455 -11.421 -1.743 1.00 0.00 O ATOM 729 CB ASP A 47 4.360 -11.696 0.723 1.00 0.00 C ATOM 730 CG ASP A 47 4.743 -13.142 0.417 1.00 0.00 C ATOM 731 OD1 ASP A 47 5.786 -13.345 -0.181 1.00 0.00 O ATOM 732 OD2 ASP A 47 3.986 -14.024 0.788 1.00 0.00 O ATOM 0 H ASP A 47 4.278 -9.315 1.316 1.00 0.00 H new ATOM 0 HA ASP A 47 6.442 -11.129 0.808 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.111 -11.593 1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.470 -11.419 0.157 1.00 0.00 H new ATOM 737 N THR A 48 4.920 -9.851 -1.801 1.00 0.00 N ATOM 738 CA THR A 48 5.010 -9.746 -3.285 1.00 0.00 C ATOM 739 C THR A 48 6.257 -8.956 -3.686 1.00 0.00 C ATOM 740 O THR A 48 7.300 -9.519 -3.955 1.00 0.00 O ATOM 741 CB THR A 48 3.777 -9.017 -3.811 1.00 0.00 C ATOM 742 OG1 THR A 48 3.606 -7.813 -3.079 1.00 0.00 O ATOM 743 CG2 THR A 48 2.536 -9.898 -3.649 1.00 0.00 C ATOM 0 H THR A 48 4.246 -9.224 -1.363 1.00 0.00 H new ATOM 0 HA THR A 48 5.068 -10.749 -3.707 1.00 0.00 H new ATOM 0 HB THR A 48 3.912 -8.792 -4.869 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.817 -7.337 -3.412 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.662 -9.368 -4.027 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.671 -10.823 -4.210 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.390 -10.131 -2.594 1.00 0.00 H new ATOM 751 N ALA A 49 6.150 -7.651 -3.751 1.00 0.00 N ATOM 752 CA ALA A 49 7.322 -6.817 -4.163 1.00 0.00 C ATOM 753 C ALA A 49 7.363 -5.526 -3.350 1.00 0.00 C ATOM 754 O ALA A 49 6.984 -5.490 -2.197 1.00 0.00 O ATOM 755 CB ALA A 49 7.184 -6.465 -5.644 1.00 0.00 C ATOM 0 H ALA A 49 5.301 -7.127 -3.536 1.00 0.00 H new ATOM 0 HA ALA A 49 8.239 -7.379 -3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.034 -5.857 -5.954 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.158 -7.381 -6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.261 -5.906 -5.801 1.00 0.00 H new ATOM 761 N ARG A 50 7.828 -4.460 -3.950 1.00 0.00 N ATOM 762 CA ARG A 50 7.904 -3.158 -3.224 1.00 0.00 C ATOM 763 C ARG A 50 7.591 -2.016 -4.192 1.00 0.00 C ATOM 764 O ARG A 50 7.716 -2.158 -5.392 1.00 0.00 O ATOM 765 CB ARG A 50 9.310 -2.980 -2.635 1.00 0.00 C ATOM 766 CG ARG A 50 10.358 -2.947 -3.755 1.00 0.00 C ATOM 767 CD ARG A 50 11.756 -2.810 -3.138 1.00 0.00 C ATOM 768 NE ARG A 50 12.776 -2.708 -4.225 1.00 0.00 N ATOM 769 CZ ARG A 50 14.039 -2.535 -3.930 1.00 0.00 C ATOM 770 NH1 ARG A 50 14.418 -2.460 -2.684 1.00 0.00 N ATOM 771 NH2 ARG A 50 14.924 -2.439 -4.884 1.00 0.00 N ATOM 0 H ARG A 50 8.159 -4.436 -4.914 1.00 0.00 H new ATOM 0 HA ARG A 50 7.176 -3.147 -2.413 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.355 -2.056 -2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.529 -3.796 -1.947 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.299 -3.858 -4.351 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.162 -2.112 -4.428 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.799 -1.926 -2.502 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.970 -3.670 -2.504 1.00 0.00 H new ATOM 0 HE ARG A 50 12.487 -2.773 -5.201 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.729 -2.536 -1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.403 -2.325 -2.458 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.631 -2.499 -5.859 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.909 -2.304 -4.655 1.00 0.00 H new ATOM 785 N ILE A 51 7.180 -0.881 -3.688 1.00 0.00 N ATOM 786 CA ILE A 51 6.863 0.257 -4.601 1.00 0.00 C ATOM 787 C ILE A 51 7.041 1.591 -3.870 1.00 0.00 C ATOM 788 O ILE A 51 7.063 1.654 -2.653 1.00 0.00 O ATOM 789 CB ILE A 51 5.420 0.134 -5.094 1.00 0.00 C ATOM 790 CG1 ILE A 51 5.148 1.215 -6.143 1.00 0.00 C ATOM 791 CG2 ILE A 51 4.461 0.316 -3.918 1.00 0.00 C ATOM 792 CD1 ILE A 51 3.848 0.894 -6.881 1.00 0.00 C ATOM 0 H ILE A 51 7.051 -0.694 -2.694 1.00 0.00 H new ATOM 0 HA ILE A 51 7.545 0.226 -5.451 1.00 0.00 H new ATOM 0 HB ILE A 51 5.270 -0.851 -5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.075 2.191 -5.664 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.976 1.268 -6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.433 0.228 -4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.655 -0.451 -3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.610 1.301 -3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.654 1.664 -7.628 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.938 -0.074 -7.373 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.023 0.864 -6.169 1.00 0.00 H new ATOM 804 N ARG A 52 7.165 2.660 -4.613 1.00 0.00 N ATOM 805 CA ARG A 52 7.339 4.000 -3.987 1.00 0.00 C ATOM 806 C ARG A 52 6.010 4.468 -3.389 1.00 0.00 C ATOM 807 O ARG A 52 4.952 4.203 -3.925 1.00 0.00 O ATOM 808 CB ARG A 52 7.780 4.998 -5.056 1.00 0.00 C ATOM 809 CG ARG A 52 9.199 4.659 -5.510 1.00 0.00 C ATOM 810 CD ARG A 52 9.645 5.641 -6.597 1.00 0.00 C ATOM 811 NE ARG A 52 11.030 5.297 -7.030 1.00 0.00 N ATOM 812 CZ ARG A 52 11.740 6.155 -7.712 1.00 0.00 C ATOM 813 NH1 ARG A 52 11.241 7.321 -8.016 1.00 0.00 N ATOM 814 NH2 ARG A 52 12.950 5.844 -8.090 1.00 0.00 N ATOM 0 H ARG A 52 7.153 2.660 -5.633 1.00 0.00 H new ATOM 0 HA ARG A 52 8.090 3.936 -3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.097 4.965 -5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.746 6.012 -4.659 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.883 4.706 -4.662 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.234 3.639 -5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.964 5.596 -7.447 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.613 6.662 -6.217 1.00 0.00 H new ATOM 0 HE ARG A 52 11.425 4.387 -6.792 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.295 7.564 -7.721 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.797 7.990 -8.549 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.340 4.932 -7.853 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.506 6.513 -8.623 1.00 0.00 H new ATOM 828 N ILE A 53 6.054 5.174 -2.284 1.00 0.00 N ATOM 829 CA ILE A 53 4.795 5.677 -1.651 1.00 0.00 C ATOM 830 C ILE A 53 4.980 7.137 -1.237 1.00 0.00 C ATOM 831 O ILE A 53 6.078 7.582 -0.970 1.00 0.00 O ATOM 832 CB ILE A 53 4.462 4.815 -0.430 1.00 0.00 C ATOM 833 CG1 ILE A 53 5.639 4.821 0.555 1.00 0.00 C ATOM 834 CG2 ILE A 53 4.198 3.378 -0.892 1.00 0.00 C ATOM 835 CD1 ILE A 53 5.221 4.150 1.868 1.00 0.00 C ATOM 0 H ILE A 53 6.912 5.424 -1.792 1.00 0.00 H new ATOM 0 HA ILE A 53 3.972 5.615 -2.363 1.00 0.00 H new ATOM 0 HB ILE A 53 3.579 5.218 0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.490 4.295 0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.960 5.845 0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.960 2.756 -0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.360 3.368 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.086 2.986 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.060 4.157 2.563 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.384 4.694 2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.921 3.121 1.671 1.00 0.00 H new ATOM 847 N SER A 54 3.911 7.888 -1.181 1.00 0.00 N ATOM 848 CA SER A 54 4.020 9.321 -0.785 1.00 0.00 C ATOM 849 C SER A 54 2.816 9.697 0.072 1.00 0.00 C ATOM 850 O SER A 54 1.687 9.440 -0.292 1.00 0.00 O ATOM 851 CB SER A 54 4.047 10.192 -2.042 1.00 0.00 C ATOM 852 OG SER A 54 2.845 9.991 -2.773 1.00 0.00 O ATOM 0 H SER A 54 2.966 7.569 -1.393 1.00 0.00 H new ATOM 0 HA SER A 54 4.936 9.478 -0.215 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.150 11.242 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.909 9.936 -2.658 1.00 0.00 H new ATOM 0 HG SER A 54 2.260 10.770 -2.662 1.00 0.00 H new ATOM 858 N SER A 55 3.053 10.300 1.210 1.00 0.00 N ATOM 859 CA SER A 55 1.930 10.703 2.113 1.00 0.00 C ATOM 860 C SER A 55 1.874 12.228 2.190 1.00 0.00 C ATOM 861 O SER A 55 2.830 12.876 2.564 1.00 0.00 O ATOM 862 CB SER A 55 2.178 10.112 3.502 1.00 0.00 C ATOM 863 OG SER A 55 1.566 10.938 4.482 1.00 0.00 O ATOM 0 H SER A 55 3.984 10.532 1.555 1.00 0.00 H new ATOM 0 HA SER A 55 0.980 10.332 1.728 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.772 9.102 3.557 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.249 10.036 3.691 1.00 0.00 H new ATOM 0 HG SER A 55 2.259 11.383 5.014 1.00 0.00 H new ATOM 869 N PHE A 56 0.764 12.809 1.813 1.00 0.00 N ATOM 870 CA PHE A 56 0.643 14.299 1.831 1.00 0.00 C ATOM 871 C PHE A 56 -0.032 14.773 3.124 1.00 0.00 C ATOM 872 O PHE A 56 -1.154 14.414 3.420 1.00 0.00 O ATOM 873 CB PHE A 56 -0.201 14.732 0.630 1.00 0.00 C ATOM 874 CG PHE A 56 0.578 14.482 -0.639 1.00 0.00 C ATOM 875 CD1 PHE A 56 1.558 15.392 -1.049 1.00 0.00 C ATOM 876 CD2 PHE A 56 0.322 13.337 -1.407 1.00 0.00 C ATOM 877 CE1 PHE A 56 2.283 15.160 -2.224 1.00 0.00 C ATOM 878 CE2 PHE A 56 1.047 13.105 -2.582 1.00 0.00 C ATOM 879 CZ PHE A 56 2.028 14.017 -2.991 1.00 0.00 C ATOM 0 H PHE A 56 -0.068 12.314 1.492 1.00 0.00 H new ATOM 0 HA PHE A 56 1.638 14.741 1.780 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.139 14.177 0.610 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.457 15.788 0.712 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.756 16.274 -0.459 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.435 12.634 -1.092 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.040 15.863 -2.539 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.850 12.223 -3.173 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.587 13.839 -3.897 1.00 0.00 H new ATOM 889 N GLY A 57 0.642 15.596 3.887 1.00 0.00 N ATOM 890 CA GLY A 57 0.038 16.114 5.150 1.00 0.00 C ATOM 891 C GLY A 57 0.164 15.076 6.266 1.00 0.00 C ATOM 892 O GLY A 57 0.505 15.396 7.388 1.00 0.00 O ATOM 0 H GLY A 57 1.585 15.931 3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.535 17.038 5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.012 16.355 4.986 1.00 0.00 H new ATOM 896 N LYS A 58 -0.122 13.840 5.980 1.00 0.00 N ATOM 897 CA LYS A 58 -0.036 12.796 7.037 1.00 0.00 C ATOM 898 C LYS A 58 1.423 12.397 7.272 1.00 0.00 C ATOM 899 O LYS A 58 2.201 12.258 6.350 1.00 0.00 O ATOM 900 CB LYS A 58 -0.843 11.578 6.581 1.00 0.00 C ATOM 901 CG LYS A 58 -2.319 11.962 6.394 1.00 0.00 C ATOM 902 CD LYS A 58 -3.036 12.016 7.750 1.00 0.00 C ATOM 903 CE LYS A 58 -4.510 12.353 7.533 1.00 0.00 C ATOM 904 NZ LYS A 58 -5.204 12.364 8.850 1.00 0.00 N ATOM 0 H LYS A 58 -0.412 13.506 5.061 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.439 13.184 7.972 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.438 11.193 5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.758 10.779 7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.389 12.931 5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.810 11.237 5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.942 11.058 8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.571 12.766 8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.607 13.325 7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.970 11.620 6.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.209 12.593 8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.120 11.427 9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.768 13.080 9.466 1.00 0.00 H new ATOM 918 N GLN A 59 1.798 12.218 8.513 1.00 0.00 N ATOM 919 CA GLN A 59 3.203 11.833 8.836 1.00 0.00 C ATOM 920 C GLN A 59 3.312 10.312 8.957 1.00 0.00 C ATOM 921 O GLN A 59 2.363 9.638 9.306 1.00 0.00 O ATOM 922 CB GLN A 59 3.610 12.479 10.159 1.00 0.00 C ATOM 923 CG GLN A 59 5.053 12.094 10.482 1.00 0.00 C ATOM 924 CD GLN A 59 5.539 12.898 11.687 1.00 0.00 C ATOM 925 OE1 GLN A 59 4.954 13.904 12.037 1.00 0.00 O ATOM 926 NE2 GLN A 59 6.591 12.493 12.342 1.00 0.00 N ATOM 0 H GLN A 59 1.185 12.323 9.322 1.00 0.00 H new ATOM 0 HA GLN A 59 3.863 12.176 8.039 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.516 13.563 10.092 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.945 12.150 10.958 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.117 11.027 10.694 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.693 12.287 9.621 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.081 11.648 12.047 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.924 13.021 13.149 1.00 0.00 H new ATOM 935 N LEU A 60 4.471 9.770 8.673 1.00 0.00 N ATOM 936 CA LEU A 60 4.672 8.291 8.764 1.00 0.00 C ATOM 937 C LEU A 60 5.943 8.002 9.556 1.00 0.00 C ATOM 938 O LEU A 60 6.821 8.836 9.660 1.00 0.00 O ATOM 939 CB LEU A 60 4.808 7.710 7.356 1.00 0.00 C ATOM 940 CG LEU A 60 3.493 7.890 6.586 1.00 0.00 C ATOM 941 CD1 LEU A 60 3.695 7.420 5.142 1.00 0.00 C ATOM 942 CD2 LEU A 60 2.365 7.072 7.247 1.00 0.00 C ATOM 0 H LEU A 60 5.294 10.295 8.379 1.00 0.00 H new ATOM 0 HA LEU A 60 3.818 7.836 9.265 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.621 8.206 6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.064 6.652 7.413 1.00 0.00 H new ATOM 0 HG LEU A 60 3.209 8.942 6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.766 7.544 4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.480 8.013 4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.983 6.369 5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.439 7.211 6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.634 6.016 7.247 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.224 7.410 8.273 1.00 0.00 H new ATOM 954 N GLN A 61 6.041 6.824 10.123 1.00 0.00 N ATOM 955 CA GLN A 61 7.247 6.458 10.927 1.00 0.00 C ATOM 956 C GLN A 61 8.035 5.365 10.205 1.00 0.00 C ATOM 957 O GLN A 61 7.477 4.431 9.666 1.00 0.00 O ATOM 958 CB GLN A 61 6.793 5.958 12.295 1.00 0.00 C ATOM 959 CG GLN A 61 6.222 7.137 13.086 1.00 0.00 C ATOM 960 CD GLN A 61 5.713 6.654 14.441 1.00 0.00 C ATOM 961 OE1 GLN A 61 5.189 5.563 14.554 1.00 0.00 O ATOM 962 NE2 GLN A 61 5.844 7.429 15.482 1.00 0.00 N ATOM 0 H GLN A 61 5.330 6.095 10.062 1.00 0.00 H new ATOM 0 HA GLN A 61 7.890 7.329 11.051 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.039 5.179 12.181 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.631 5.514 12.832 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.989 7.898 13.226 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.410 7.602 12.527 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.284 8.344 15.384 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.506 7.120 16.394 1.00 0.00 H new ATOM 971 N ASP A 62 9.331 5.496 10.175 1.00 0.00 N ATOM 972 CA ASP A 62 10.177 4.494 9.472 1.00 0.00 C ATOM 973 C ASP A 62 10.086 3.124 10.144 1.00 0.00 C ATOM 974 O ASP A 62 10.009 3.005 11.350 1.00 0.00 O ATOM 975 CB ASP A 62 11.626 4.979 9.478 1.00 0.00 C ATOM 976 CG ASP A 62 12.095 5.180 10.921 1.00 0.00 C ATOM 977 OD1 ASP A 62 11.276 5.043 11.814 1.00 0.00 O ATOM 978 OD2 ASP A 62 13.266 5.471 11.107 1.00 0.00 O ATOM 0 H ASP A 62 9.845 6.262 10.612 1.00 0.00 H new ATOM 0 HA ASP A 62 9.819 4.388 8.448 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.265 4.253 8.975 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.709 5.914 8.924 1.00 0.00 H new ATOM 983 N SER A 63 10.095 2.090 9.343 1.00 0.00 N ATOM 984 CA SER A 63 10.016 0.700 9.868 1.00 0.00 C ATOM 985 C SER A 63 8.742 0.516 10.687 1.00 0.00 C ATOM 986 O SER A 63 8.752 0.564 11.901 1.00 0.00 O ATOM 987 CB SER A 63 11.252 0.384 10.719 1.00 0.00 C ATOM 988 OG SER A 63 11.007 -0.788 11.485 1.00 0.00 O ATOM 0 H SER A 63 10.155 2.155 8.327 1.00 0.00 H new ATOM 0 HA SER A 63 9.989 0.008 9.026 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.122 0.238 10.078 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.478 1.222 11.378 1.00 0.00 H new ATOM 0 HG SER A 63 10.350 -0.590 12.184 1.00 0.00 H new ATOM 994 N ASP A 64 7.642 0.288 10.022 1.00 0.00 N ATOM 995 CA ASP A 64 6.359 0.081 10.755 1.00 0.00 C ATOM 996 C ASP A 64 5.327 -0.580 9.835 1.00 0.00 C ATOM 997 O ASP A 64 5.059 -0.115 8.744 1.00 0.00 O ATOM 998 CB ASP A 64 5.815 1.420 11.266 1.00 0.00 C ATOM 999 CG ASP A 64 5.630 2.385 10.096 1.00 0.00 C ATOM 1000 OD1 ASP A 64 6.086 2.065 9.012 1.00 0.00 O ATOM 1001 OD2 ASP A 64 5.037 3.432 10.306 1.00 0.00 O ATOM 0 H ASP A 64 7.576 0.236 9.005 1.00 0.00 H new ATOM 0 HA ASP A 64 6.548 -0.572 11.607 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.864 1.266 11.776 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.502 1.847 11.996 1.00 0.00 H new ATOM 1006 N VAL A 65 4.753 -1.674 10.270 1.00 0.00 N ATOM 1007 CA VAL A 65 3.739 -2.377 9.433 1.00 0.00 C ATOM 1008 C VAL A 65 2.408 -1.643 9.526 1.00 0.00 C ATOM 1009 O VAL A 65 1.847 -1.493 10.594 1.00 0.00 O ATOM 1010 CB VAL A 65 3.573 -3.811 9.937 1.00 0.00 C ATOM 1011 CG1 VAL A 65 2.746 -4.617 8.933 1.00 0.00 C ATOM 1012 CG2 VAL A 65 4.952 -4.454 10.088 1.00 0.00 C ATOM 0 H VAL A 65 4.945 -2.110 11.172 1.00 0.00 H new ATOM 0 HA VAL A 65 4.069 -2.394 8.394 1.00 0.00 H new ATOM 0 HB VAL A 65 3.063 -3.801 10.900 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.629 -5.639 9.295 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.764 -4.158 8.819 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.255 -4.629 7.969 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.839 -5.477 10.447 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.457 -4.462 9.122 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.544 -3.882 10.802 1.00 0.00 H new ATOM 1022 N VAL A 66 1.898 -1.176 8.415 1.00 0.00 N ATOM 1023 CA VAL A 66 0.600 -0.441 8.435 1.00 0.00 C ATOM 1024 C VAL A 66 -0.247 -0.853 7.233 1.00 0.00 C ATOM 1025 O VAL A 66 0.243 -1.422 6.269 1.00 0.00 O ATOM 1026 CB VAL A 66 0.870 1.066 8.380 1.00 0.00 C ATOM 1027 CG1 VAL A 66 1.702 1.489 9.598 1.00 0.00 C ATOM 1028 CG2 VAL A 66 1.638 1.402 7.099 1.00 0.00 C ATOM 0 H VAL A 66 2.326 -1.273 7.494 1.00 0.00 H new ATOM 0 HA VAL A 66 0.061 -0.683 9.351 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.080 1.601 8.388 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.891 2.562 9.554 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.156 1.254 10.511 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.651 0.953 9.595 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.830 2.474 7.060 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.586 0.863 7.091 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.046 1.108 6.232 1.00 0.00 H new ATOM 1038 N ARG A 67 -1.520 -0.552 7.287 1.00 0.00 N ATOM 1039 CA ARG A 67 -2.448 -0.886 6.167 1.00 0.00 C ATOM 1040 C ARG A 67 -3.045 0.408 5.627 1.00 0.00 C ATOM 1041 O ARG A 67 -3.563 1.216 6.374 1.00 0.00 O ATOM 1042 CB ARG A 67 -3.565 -1.791 6.685 1.00 0.00 C ATOM 1043 CG ARG A 67 -4.485 -2.175 5.525 1.00 0.00 C ATOM 1044 CD ARG A 67 -5.542 -3.165 6.015 1.00 0.00 C ATOM 1045 NE ARG A 67 -6.426 -2.494 7.012 1.00 0.00 N ATOM 1046 CZ ARG A 67 -7.476 -1.819 6.619 1.00 0.00 C ATOM 1047 NH1 ARG A 67 -7.755 -1.723 5.347 1.00 0.00 N ATOM 1048 NH2 ARG A 67 -8.244 -1.238 7.498 1.00 0.00 N ATOM 0 H ARG A 67 -1.962 -0.080 8.076 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.908 -1.404 5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.141 -2.686 7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.134 -1.278 7.461 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.966 -1.285 5.119 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.903 -2.619 4.717 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.133 -3.528 5.174 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.061 -4.034 6.465 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.211 -2.562 8.007 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.154 -2.175 4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.574 -1.196 5.043 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.026 -1.310 8.492 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.062 -0.712 7.192 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.971 0.621 4.337 1.00 0.00 N ATOM 1063 CA ILE A 68 -3.526 1.877 3.743 1.00 0.00 C ATOM 1064 C ILE A 68 -4.807 1.553 2.979 1.00 0.00 C ATOM 1065 O ILE A 68 -4.843 0.655 2.160 1.00 0.00 O ATOM 1066 CB ILE A 68 -2.496 2.477 2.789 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.208 2.753 3.565 1.00 0.00 C ATOM 1068 CG2 ILE A 68 -3.033 3.790 2.217 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.099 3.168 2.599 1.00 0.00 C ATOM 0 H ILE A 68 -2.549 -0.022 3.667 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.750 2.593 4.534 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.299 1.782 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.377 3.541 4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.907 1.862 4.117 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.297 4.218 1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.960 3.599 1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.225 4.490 3.030 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.816 3.363 3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.078 2.366 1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.399 4.071 2.067 1.00 0.00 H new ATOM 1081 N ASP A 69 -5.860 2.283 3.252 1.00 0.00 N ATOM 1082 CA ASP A 69 -7.165 2.045 2.564 1.00 0.00 C ATOM 1083 C ASP A 69 -7.516 3.259 1.701 1.00 0.00 C ATOM 1084 O ASP A 69 -7.276 4.393 2.082 1.00 0.00 O ATOM 1085 CB ASP A 69 -8.247 1.841 3.622 1.00 0.00 C ATOM 1086 CG ASP A 69 -9.591 1.559 2.949 1.00 0.00 C ATOM 1087 OD1 ASP A 69 -9.654 1.641 1.733 1.00 0.00 O ATOM 1088 OD2 ASP A 69 -10.537 1.268 3.660 1.00 0.00 O ATOM 0 H ASP A 69 -5.870 3.044 3.932 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.095 1.162 1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.977 1.011 4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.325 2.728 4.250 1.00 0.00 H new ATOM 1093 N ASN A 70 -8.085 3.020 0.545 1.00 0.00 N ATOM 1094 CA ASN A 70 -8.466 4.134 -0.373 1.00 0.00 C ATOM 1095 C ASN A 70 -7.211 4.891 -0.825 1.00 0.00 C ATOM 1096 O ASN A 70 -7.205 6.101 -0.925 1.00 0.00 O ATOM 1097 CB ASN A 70 -9.430 5.092 0.339 1.00 0.00 C ATOM 1098 CG ASN A 70 -10.116 5.987 -0.695 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -10.412 5.553 -1.790 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -10.383 7.229 -0.392 1.00 0.00 N ATOM 0 H ASN A 70 -8.304 2.087 0.196 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.963 3.719 -1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.176 4.526 0.898 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.887 5.702 1.060 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.840 7.834 -1.075 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.135 7.594 0.527 1.00 0.00 H new ATOM 1107 N ALA A 71 -6.152 4.180 -1.111 1.00 0.00 N ATOM 1108 CA ALA A 71 -4.899 4.846 -1.571 1.00 0.00 C ATOM 1109 C ALA A 71 -5.081 5.334 -3.011 1.00 0.00 C ATOM 1110 O ALA A 71 -5.802 4.731 -3.786 1.00 0.00 O ATOM 1111 CB ALA A 71 -3.740 3.845 -1.514 1.00 0.00 C ATOM 0 H ALA A 71 -6.101 3.163 -1.045 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.679 5.695 -0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.823 4.330 -1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.611 3.495 -0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.960 2.997 -2.162 1.00 0.00 H new ATOM 1117 N ARG A 72 -4.429 6.416 -3.375 1.00 0.00 N ATOM 1118 CA ARG A 72 -4.560 6.949 -4.767 1.00 0.00 C ATOM 1119 C ARG A 72 -3.339 6.538 -5.595 1.00 0.00 C ATOM 1120 O ARG A 72 -2.208 6.781 -5.224 1.00 0.00 O ATOM 1121 CB ARG A 72 -4.657 8.475 -4.715 1.00 0.00 C ATOM 1122 CG ARG A 72 -5.101 9.001 -6.083 1.00 0.00 C ATOM 1123 CD ARG A 72 -5.287 10.518 -6.018 1.00 0.00 C ATOM 1124 NE ARG A 72 -3.965 11.167 -5.779 1.00 0.00 N ATOM 1125 CZ ARG A 72 -3.887 12.458 -5.599 1.00 0.00 C ATOM 1126 NH1 ARG A 72 -4.965 13.190 -5.634 1.00 0.00 N ATOM 1127 NH2 ARG A 72 -2.726 13.017 -5.385 1.00 0.00 N ATOM 0 H ARG A 72 -3.811 6.952 -2.765 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.458 6.541 -5.230 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.368 8.780 -3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.692 8.903 -4.444 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.358 8.748 -6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.034 8.523 -6.381 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.721 10.883 -6.949 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.982 10.777 -5.219 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.118 10.599 -5.756 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.872 12.755 -5.802 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.902 14.198 -5.493 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.882 12.445 -5.359 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.664 14.025 -5.244 1.00 0.00 H new ATOM 1141 N VAL A 73 -3.566 5.906 -6.715 1.00 0.00 N ATOM 1142 CA VAL A 73 -2.436 5.458 -7.581 1.00 0.00 C ATOM 1143 C VAL A 73 -2.065 6.563 -8.572 1.00 0.00 C ATOM 1144 O VAL A 73 -2.918 7.173 -9.186 1.00 0.00 O ATOM 1145 CB VAL A 73 -2.863 4.205 -8.347 1.00 0.00 C ATOM 1146 CG1 VAL A 73 -1.815 3.855 -9.412 1.00 0.00 C ATOM 1147 CG2 VAL A 73 -2.995 3.042 -7.365 1.00 0.00 C ATOM 0 H VAL A 73 -4.495 5.679 -7.071 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.568 5.236 -6.960 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.819 4.390 -8.838 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.129 2.961 -9.951 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.716 4.685 -10.111 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.855 3.670 -8.931 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.299 2.144 -7.903 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.036 2.866 -6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.744 3.285 -6.612 1.00 0.00 H new ATOM 1157 N ALA A 74 -0.795 6.820 -8.737 1.00 0.00 N ATOM 1158 CA ALA A 74 -0.358 7.877 -9.694 1.00 0.00 C ATOM 1159 C ALA A 74 0.961 7.451 -10.332 1.00 0.00 C ATOM 1160 O ALA A 74 1.689 6.646 -9.784 1.00 0.00 O ATOM 1161 CB ALA A 74 -0.162 9.195 -8.943 1.00 0.00 C ATOM 0 H ALA A 74 -0.039 6.341 -8.248 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.114 8.014 -10.467 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.157 9.968 -9.642 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.102 9.492 -8.478 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.599 9.065 -8.173 1.00 0.00 H new ATOM 1167 N GLN A 75 1.273 7.977 -11.491 1.00 0.00 N ATOM 1168 CA GLN A 75 2.546 7.605 -12.184 1.00 0.00 C ATOM 1169 C GLN A 75 3.474 8.822 -12.233 1.00 0.00 C ATOM 1170 O GLN A 75 3.157 9.826 -12.840 1.00 0.00 O ATOM 1171 CB GLN A 75 2.216 7.156 -13.608 1.00 0.00 C ATOM 1172 CG GLN A 75 3.508 6.799 -14.340 1.00 0.00 C ATOM 1173 CD GLN A 75 3.179 6.152 -15.687 1.00 0.00 C ATOM 1174 OE1 GLN A 75 4.055 5.953 -16.505 1.00 0.00 O ATOM 1175 NE2 GLN A 75 1.948 5.813 -15.957 1.00 0.00 N ATOM 0 H GLN A 75 0.696 8.653 -11.991 1.00 0.00 H new ATOM 0 HA GLN A 75 3.042 6.798 -11.645 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.549 6.294 -13.584 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.692 7.950 -14.139 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.109 7.695 -14.494 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.103 6.116 -13.734 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.211 5.979 -15.272 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.723 5.382 -16.853 1.00 0.00 H new ATOM 1184 N PHE A 76 4.622 8.740 -11.594 1.00 0.00 N ATOM 1185 CA PHE A 76 5.587 9.891 -11.592 1.00 0.00 C ATOM 1186 C PHE A 76 6.962 9.425 -12.075 1.00 0.00 C ATOM 1187 O PHE A 76 7.430 8.362 -11.722 1.00 0.00 O ATOM 1188 CB PHE A 76 5.709 10.448 -10.171 1.00 0.00 C ATOM 1189 CG PHE A 76 4.459 11.228 -9.832 1.00 0.00 C ATOM 1190 CD1 PHE A 76 4.233 12.471 -10.432 1.00 0.00 C ATOM 1191 CD2 PHE A 76 3.530 10.710 -8.920 1.00 0.00 C ATOM 1192 CE1 PHE A 76 3.079 13.198 -10.123 1.00 0.00 C ATOM 1193 CE2 PHE A 76 2.375 11.439 -8.610 1.00 0.00 C ATOM 1194 CZ PHE A 76 2.150 12.683 -9.212 1.00 0.00 C ATOM 0 H PHE A 76 4.933 7.921 -11.072 1.00 0.00 H new ATOM 0 HA PHE A 76 5.218 10.667 -12.263 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.848 9.634 -9.460 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.585 11.092 -10.094 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.950 12.870 -11.134 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.704 9.750 -8.457 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.905 14.157 -10.588 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.658 11.042 -7.907 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.259 13.245 -8.973 1.00 0.00 H new ATOM 1204 N ASN A 77 7.607 10.224 -12.884 1.00 0.00 N ATOM 1205 CA ASN A 77 8.954 9.855 -13.408 1.00 0.00 C ATOM 1206 C ASN A 77 8.868 8.509 -14.137 1.00 0.00 C ATOM 1207 O ASN A 77 9.850 7.809 -14.293 1.00 0.00 O ATOM 1208 CB ASN A 77 9.960 9.772 -12.253 1.00 0.00 C ATOM 1209 CG ASN A 77 11.353 9.472 -12.808 1.00 0.00 C ATOM 1210 OD1 ASN A 77 11.944 8.460 -12.487 1.00 0.00 O ATOM 1211 ND2 ASN A 77 11.907 10.314 -13.638 1.00 0.00 N ATOM 0 H ASN A 77 7.254 11.125 -13.207 1.00 0.00 H new ATOM 0 HA ASN A 77 9.292 10.618 -14.109 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.972 10.711 -11.700 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.661 8.993 -11.552 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.835 10.122 -14.016 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.412 11.164 -13.908 1.00 0.00 H new ATOM 1218 N GLY A 78 7.700 8.153 -14.600 1.00 0.00 N ATOM 1219 CA GLY A 78 7.547 6.864 -15.333 1.00 0.00 C ATOM 1220 C GLY A 78 7.478 5.710 -14.334 1.00 0.00 C ATOM 1221 O GLY A 78 7.500 4.555 -14.712 1.00 0.00 O ATOM 0 H GLY A 78 6.845 8.700 -14.502 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.643 6.886 -15.942 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.386 6.719 -16.013 1.00 0.00 H new ATOM 1225 N TYR A 79 7.399 6.014 -13.060 1.00 0.00 N ATOM 1226 CA TYR A 79 7.331 4.941 -12.016 1.00 0.00 C ATOM 1227 C TYR A 79 6.014 5.046 -11.247 1.00 0.00 C ATOM 1228 O TYR A 79 5.561 6.121 -10.903 1.00 0.00 O ATOM 1229 CB TYR A 79 8.501 5.107 -11.049 1.00 0.00 C ATOM 1230 CG TYR A 79 9.786 4.782 -11.769 1.00 0.00 C ATOM 1231 CD1 TYR A 79 10.184 3.449 -11.923 1.00 0.00 C ATOM 1232 CD2 TYR A 79 10.580 5.812 -12.283 1.00 0.00 C ATOM 1233 CE1 TYR A 79 11.376 3.147 -12.590 1.00 0.00 C ATOM 1234 CE2 TYR A 79 11.773 5.512 -12.949 1.00 0.00 C ATOM 1235 CZ TYR A 79 12.172 4.178 -13.103 1.00 0.00 C ATOM 1236 OH TYR A 79 13.348 3.879 -13.760 1.00 0.00 O ATOM 0 H TYR A 79 7.379 6.967 -12.696 1.00 0.00 H new ATOM 0 HA TYR A 79 7.386 3.964 -12.497 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.532 6.128 -10.667 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.375 4.449 -10.189 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.571 2.653 -11.527 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.272 6.840 -12.166 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.682 2.118 -12.709 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.386 6.308 -13.344 1.00 0.00 H new ATOM 0 HH TYR A 79 13.779 4.709 -14.054 1.00 0.00 H new ATOM 1246 N LEU A 80 5.393 3.932 -10.984 1.00 0.00 N ATOM 1247 CA LEU A 80 4.100 3.946 -10.248 1.00 0.00 C ATOM 1248 C LEU A 80 4.344 4.172 -8.756 1.00 0.00 C ATOM 1249 O LEU A 80 5.348 3.762 -8.210 1.00 0.00 O ATOM 1250 CB LEU A 80 3.403 2.603 -10.454 1.00 0.00 C ATOM 1251 CG LEU A 80 3.198 2.356 -11.954 1.00 0.00 C ATOM 1252 CD1 LEU A 80 2.566 0.977 -12.159 1.00 0.00 C ATOM 1253 CD2 LEU A 80 2.282 3.440 -12.551 1.00 0.00 C ATOM 0 H LEU A 80 5.728 3.006 -11.249 1.00 0.00 H new ATOM 0 HA LEU A 80 3.475 4.755 -10.626 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.001 1.801 -10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.442 2.597 -9.939 1.00 0.00 H new ATOM 0 HG LEU A 80 4.164 2.396 -12.458 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.419 0.799 -13.224 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.225 0.211 -11.750 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.604 0.938 -11.649 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.144 3.254 -13.616 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.314 3.415 -12.050 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.738 4.420 -12.410 1.00 0.00 H new ATOM 1265 N SER A 81 3.424 4.815 -8.090 1.00 0.00 N ATOM 1266 CA SER A 81 3.592 5.062 -6.632 1.00 0.00 C ATOM 1267 C SER A 81 2.215 5.237 -5.995 1.00 0.00 C ATOM 1268 O SER A 81 1.238 5.492 -6.673 1.00 0.00 O ATOM 1269 CB SER A 81 4.421 6.327 -6.416 1.00 0.00 C ATOM 1270 OG SER A 81 3.695 7.448 -6.901 1.00 0.00 O ATOM 0 H SER A 81 2.562 5.180 -8.495 1.00 0.00 H new ATOM 0 HA SER A 81 4.106 4.217 -6.174 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.644 6.454 -5.357 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.376 6.244 -6.935 1.00 0.00 H new ATOM 0 HG SER A 81 4.221 8.263 -6.763 1.00 0.00 H new ATOM 1276 N LEU A 82 2.127 5.097 -4.697 1.00 0.00 N ATOM 1277 CA LEU A 82 0.810 5.250 -4.004 1.00 0.00 C ATOM 1278 C LEU A 82 0.788 6.577 -3.254 1.00 0.00 C ATOM 1279 O LEU A 82 1.654 6.863 -2.453 1.00 0.00 O ATOM 1280 CB LEU A 82 0.633 4.099 -3.012 1.00 0.00 C ATOM 1281 CG LEU A 82 0.745 2.761 -3.751 1.00 0.00 C ATOM 1282 CD1 LEU A 82 0.568 1.614 -2.750 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -0.333 2.666 -4.846 1.00 0.00 C ATOM 0 H LEU A 82 2.913 4.882 -4.084 1.00 0.00 H new ATOM 0 HA LEU A 82 0.001 5.233 -4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.391 4.159 -2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.337 4.175 -2.521 1.00 0.00 H new ATOM 0 HG LEU A 82 1.727 2.691 -4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.647 0.660 -3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.343 1.675 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.412 1.690 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.243 1.711 -5.364 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.321 2.740 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.200 3.479 -5.559 1.00 0.00 H new ATOM 1295 N SER A 83 -0.204 7.390 -3.513 1.00 0.00 N ATOM 1296 CA SER A 83 -0.309 8.712 -2.829 1.00 0.00 C ATOM 1297 C SER A 83 -1.418 8.645 -1.779 1.00 0.00 C ATOM 1298 O SER A 83 -2.551 8.326 -2.082 1.00 0.00 O ATOM 1299 CB SER A 83 -0.645 9.780 -3.869 1.00 0.00 C ATOM 1300 OG SER A 83 0.524 10.074 -4.627 1.00 0.00 O ATOM 0 H SER A 83 -0.953 7.191 -4.176 1.00 0.00 H new ATOM 0 HA SER A 83 0.634 8.961 -2.342 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.441 9.429 -4.526 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.012 10.681 -3.378 1.00 0.00 H new ATOM 0 HG SER A 83 1.319 9.915 -4.077 1.00 0.00 H new ATOM 1306 N VAL A 84 -1.101 8.934 -0.544 1.00 0.00 N ATOM 1307 CA VAL A 84 -2.137 8.881 0.532 1.00 0.00 C ATOM 1308 C VAL A 84 -2.646 10.297 0.803 1.00 0.00 C ATOM 1309 O VAL A 84 -1.912 11.155 1.253 1.00 0.00 O ATOM 1310 CB VAL A 84 -1.504 8.300 1.795 1.00 0.00 C ATOM 1311 CG1 VAL A 84 -2.587 8.004 2.828 1.00 0.00 C ATOM 1312 CG2 VAL A 84 -0.766 7.007 1.437 1.00 0.00 C ATOM 0 H VAL A 84 -0.168 9.205 -0.233 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.974 8.253 0.225 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.801 9.020 2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.129 7.590 3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.111 8.926 3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.295 7.285 2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.312 6.587 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.471 6.290 1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.011 7.223 0.704 1.00 0.00 H new ATOM 1322 N GLY A 85 -3.894 10.553 0.509 1.00 0.00 N ATOM 1323 CA GLY A 85 -4.460 11.919 0.723 1.00 0.00 C ATOM 1324 C GLY A 85 -5.176 12.006 2.075 1.00 0.00 C ATOM 1325 O GLY A 85 -5.210 11.065 2.841 1.00 0.00 O ATOM 0 H GLY A 85 -4.550 9.871 0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.661 12.659 0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.158 12.158 -0.079 1.00 0.00 H new ATOM 1329 N ASP A 86 -5.760 13.139 2.357 1.00 0.00 N ATOM 1330 CA ASP A 86 -6.497 13.323 3.640 1.00 0.00 C ATOM 1331 C ASP A 86 -7.746 12.434 3.648 1.00 0.00 C ATOM 1332 O ASP A 86 -8.232 12.035 4.687 1.00 0.00 O ATOM 1333 CB ASP A 86 -6.911 14.788 3.758 1.00 0.00 C ATOM 1334 CG ASP A 86 -7.715 15.000 5.040 1.00 0.00 C ATOM 1335 OD1 ASP A 86 -7.719 14.106 5.870 1.00 0.00 O ATOM 1336 OD2 ASP A 86 -8.313 16.054 5.169 1.00 0.00 O ATOM 0 H ASP A 86 -5.758 13.955 1.745 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.859 13.047 4.479 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.027 15.425 3.763 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.507 15.077 2.893 1.00 0.00 H new ATOM 1341 N SER A 87 -8.276 12.132 2.496 1.00 0.00 N ATOM 1342 CA SER A 87 -9.496 11.282 2.434 1.00 0.00 C ATOM 1343 C SER A 87 -9.106 9.815 2.623 1.00 0.00 C ATOM 1344 O SER A 87 -9.947 8.945 2.721 1.00 0.00 O ATOM 1345 CB SER A 87 -10.151 11.460 1.066 1.00 0.00 C ATOM 1346 OG SER A 87 -10.564 12.813 0.917 1.00 0.00 O ATOM 0 H SER A 87 -7.915 12.438 1.592 1.00 0.00 H new ATOM 0 HA SER A 87 -10.192 11.574 3.221 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.449 11.193 0.276 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.008 10.793 0.970 1.00 0.00 H new ATOM 0 HG SER A 87 -10.984 12.932 0.039 1.00 0.00 H new ATOM 1352 N SER A 88 -7.833 9.529 2.669 1.00 0.00 N ATOM 1353 CA SER A 88 -7.392 8.118 2.846 1.00 0.00 C ATOM 1354 C SER A 88 -7.402 7.754 4.329 1.00 0.00 C ATOM 1355 O SER A 88 -7.473 8.614 5.184 1.00 0.00 O ATOM 1356 CB SER A 88 -5.978 7.961 2.299 1.00 0.00 C ATOM 1357 OG SER A 88 -5.978 8.250 0.908 1.00 0.00 O ATOM 0 H SER A 88 -7.080 10.213 2.592 1.00 0.00 H new ATOM 0 HA SER A 88 -8.073 7.458 2.309 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.297 8.633 2.822 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.620 6.946 2.471 1.00 0.00 H new ATOM 0 HG SER A 88 -6.401 7.512 0.421 1.00 0.00 H new ATOM 1363 N ARG A 89 -7.323 6.480 4.643 1.00 0.00 N ATOM 1364 CA ARG A 89 -7.318 6.047 6.078 1.00 0.00 C ATOM 1365 C ARG A 89 -6.119 5.133 6.326 1.00 0.00 C ATOM 1366 O ARG A 89 -5.771 4.318 5.494 1.00 0.00 O ATOM 1367 CB ARG A 89 -8.607 5.287 6.385 1.00 0.00 C ATOM 1368 CG ARG A 89 -9.784 6.264 6.386 1.00 0.00 C ATOM 1369 CD ARG A 89 -11.084 5.502 6.647 1.00 0.00 C ATOM 1370 NE ARG A 89 -12.221 6.464 6.657 1.00 0.00 N ATOM 1371 CZ ARG A 89 -13.449 6.030 6.744 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -13.688 4.751 6.823 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -14.440 6.879 6.752 1.00 0.00 N ATOM 0 H ARG A 89 -7.262 5.721 3.965 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.250 6.923 6.723 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.768 4.507 5.641 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.529 4.793 7.353 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.637 7.025 7.152 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.840 6.782 5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.238 4.746 5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -11.027 4.978 7.601 1.00 0.00 H new ATOM 0 HE ARG A 89 -12.039 7.466 6.596 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.914 4.086 6.817 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -14.649 4.415 6.891 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -14.254 7.880 6.690 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.400 6.542 6.820 1.00 0.00 H new ATOM 1387 N ILE A 90 -5.482 5.266 7.466 1.00 0.00 N ATOM 1388 CA ILE A 90 -4.297 4.410 7.786 1.00 0.00 C ATOM 1389 C ILE A 90 -4.556 3.639 9.076 1.00 0.00 C ATOM 1390 O ILE A 90 -4.959 4.204 10.074 1.00 0.00 O ATOM 1391 CB ILE A 90 -3.068 5.298 7.962 1.00 0.00 C ATOM 1392 CG1 ILE A 90 -2.752 5.979 6.629 1.00 0.00 C ATOM 1393 CG2 ILE A 90 -1.878 4.440 8.397 1.00 0.00 C ATOM 1394 CD1 ILE A 90 -1.691 7.059 6.841 1.00 0.00 C ATOM 0 H ILE A 90 -5.735 5.936 8.193 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.127 3.705 6.973 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.262 6.054 8.723 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.396 5.242 5.909 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.657 6.421 6.212 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.000 5.073 8.523 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.110 3.949 9.342 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.676 3.686 7.636 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.468 7.542 5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.064 7.802 7.546 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.783 6.604 7.238 1.00 0.00 H new ATOM 1406 N GLU A 91 -4.321 2.349 9.065 1.00 0.00 N ATOM 1407 CA GLU A 91 -4.539 1.518 10.289 1.00 0.00 C ATOM 1408 C GLU A 91 -3.238 0.794 10.633 1.00 0.00 C ATOM 1409 O GLU A 91 -2.749 -0.019 9.875 1.00 0.00 O ATOM 1410 CB GLU A 91 -5.644 0.494 10.023 1.00 0.00 C ATOM 1411 CG GLU A 91 -5.888 -0.327 11.291 1.00 0.00 C ATOM 1412 CD GLU A 91 -7.052 -1.289 11.065 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -7.776 -1.097 10.104 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -7.201 -2.202 11.860 1.00 0.00 O ATOM 0 H GLU A 91 -3.984 1.833 8.252 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.837 2.155 11.121 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.561 1.001 9.722 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.358 -0.162 9.201 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.989 -0.884 11.554 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.108 0.336 12.128 1.00 0.00 H new ATOM 1421 N SER A 92 -2.669 1.092 11.766 1.00 0.00 N ATOM 1422 CA SER A 92 -1.397 0.429 12.157 1.00 0.00 C ATOM 1423 C SER A 92 -1.676 -0.985 12.663 1.00 0.00 C ATOM 1424 O SER A 92 -2.636 -1.218 13.370 1.00 0.00 O ATOM 1425 CB SER A 92 -0.731 1.241 13.263 1.00 0.00 C ATOM 1426 OG SER A 92 -0.713 2.612 12.890 1.00 0.00 O ATOM 0 H SER A 92 -3.031 1.767 12.439 1.00 0.00 H new ATOM 0 HA SER A 92 -0.739 0.371 11.290 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.273 1.114 14.200 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.285 0.884 13.431 1.00 0.00 H new ATOM 0 HG SER A 92 -0.287 3.138 13.599 1.00 0.00 H new ATOM 1432 N VAL A 93 -0.837 -1.929 12.313 1.00 0.00 N ATOM 1433 CA VAL A 93 -1.033 -3.339 12.777 1.00 0.00 C ATOM 1434 C VAL A 93 0.272 -3.859 13.376 1.00 0.00 C ATOM 1435 O VAL A 93 1.327 -3.742 12.782 1.00 0.00 O ATOM 1436 CB VAL A 93 -1.443 -4.215 11.593 1.00 0.00 C ATOM 1437 CG1 VAL A 93 -2.824 -3.780 11.104 1.00 0.00 C ATOM 1438 CG2 VAL A 93 -0.427 -4.063 10.455 1.00 0.00 C ATOM 0 H VAL A 93 -0.019 -1.783 11.722 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.817 -3.370 13.534 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.473 -5.258 11.907 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.123 -4.401 10.259 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.548 -3.892 11.911 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.787 -2.736 10.792 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.725 -4.690 9.615 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.391 -3.021 10.136 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.559 -4.370 10.804 1.00 0.00 H new ATOM 1448 N ASN A 94 0.206 -4.435 14.549 1.00 0.00 N ATOM 1449 CA ASN A 94 1.433 -4.976 15.203 1.00 0.00 C ATOM 1450 C ASN A 94 1.416 -6.502 15.105 1.00 0.00 C ATOM 1451 O ASN A 94 2.426 -7.123 14.848 1.00 0.00 O ATOM 1452 CB ASN A 94 1.433 -4.561 16.675 1.00 0.00 C ATOM 1453 CG ASN A 94 2.696 -5.086 17.359 1.00 0.00 C ATOM 1454 OD1 ASN A 94 3.741 -5.172 16.747 1.00 0.00 O ATOM 1455 ND2 ASN A 94 2.639 -5.441 18.612 1.00 0.00 N ATOM 0 H ASN A 94 -0.653 -4.554 15.085 1.00 0.00 H new ATOM 0 HA ASN A 94 2.324 -4.587 14.711 1.00 0.00 H new ATOM 0 HB2 ASN A 94 1.388 -3.475 16.757 1.00 0.00 H new ATOM 0 HB3 ASN A 94 0.547 -4.955 17.174 1.00 0.00 H new ATOM 0 HD21 ASN A 94 3.474 -5.792 19.081 1.00 0.00 H new ATOM 0 HD22 ASN A 94 1.760 -5.368 19.123 1.00 0.00 H new ATOM 1462 N VAL A 95 0.270 -7.114 15.292 1.00 0.00 N ATOM 1463 CA VAL A 95 0.194 -8.607 15.199 1.00 0.00 C ATOM 1464 C VAL A 95 -1.186 -9.025 14.668 1.00 0.00 C ATOM 1465 O VAL A 95 -1.735 -8.417 13.771 1.00 0.00 O ATOM 1466 CB VAL A 95 0.407 -9.234 16.591 1.00 0.00 C ATOM 1467 CG1 VAL A 95 0.900 -10.682 16.446 1.00 0.00 C ATOM 1468 CG2 VAL A 95 1.440 -8.425 17.383 1.00 0.00 C ATOM 0 H VAL A 95 -0.612 -6.647 15.504 1.00 0.00 H new ATOM 0 HA VAL A 95 0.972 -8.956 14.520 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.544 -9.225 17.124 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.048 -11.117 17.435 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.159 -11.266 15.900 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.844 -10.692 15.900 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.582 -8.878 18.364 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.388 -8.420 16.845 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.086 -7.401 17.503 1.00 0.00 H new ATOM 1478 N ASN A 96 -1.740 -10.070 15.229 1.00 0.00 N ATOM 1479 CA ASN A 96 -3.075 -10.558 14.787 1.00 0.00 C ATOM 1480 C ASN A 96 -4.167 -9.710 15.438 1.00 0.00 C ATOM 1481 O ASN A 96 -4.760 -8.852 14.816 1.00 0.00 O ATOM 1482 CB ASN A 96 -3.246 -12.014 15.229 1.00 0.00 C ATOM 1483 CG ASN A 96 -2.072 -12.851 14.720 1.00 0.00 C ATOM 1484 OD1 ASN A 96 -1.521 -13.647 15.451 1.00 0.00 O ATOM 1485 ND2 ASN A 96 -1.666 -12.705 13.489 1.00 0.00 N ATOM 0 H ASN A 96 -1.316 -10.610 15.983 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.151 -10.485 13.702 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.300 -12.070 16.316 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.184 -12.413 14.843 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.885 -13.260 13.140 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.130 -12.035 12.875 1.00 0.00 H new ATOM 1492 N ILE A 97 -4.442 -9.952 16.694 1.00 0.00 N ATOM 1493 CA ILE A 97 -5.499 -9.174 17.400 1.00 0.00 C ATOM 1494 C ILE A 97 -5.074 -8.952 18.856 1.00 0.00 C ATOM 1495 O ILE A 97 -5.639 -9.522 19.769 1.00 0.00 O ATOM 1496 CB ILE A 97 -6.818 -9.955 17.358 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -6.550 -11.437 17.636 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -7.453 -9.812 15.973 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -7.880 -12.176 17.807 1.00 0.00 C ATOM 0 H ILE A 97 -3.976 -10.659 17.262 1.00 0.00 H new ATOM 0 HA ILE A 97 -5.637 -8.209 16.912 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.493 -9.558 18.116 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.982 -11.875 16.815 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.944 -11.545 18.536 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -8.391 -10.367 15.943 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.648 -8.759 15.769 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.773 -10.208 15.218 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.688 -13.230 18.005 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -8.431 -11.745 18.643 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -8.470 -12.080 16.895 1.00 0.00 H new ATOM 1511 N PRO A 98 -4.086 -8.119 19.069 1.00 0.00 N ATOM 1512 CA PRO A 98 -3.584 -7.810 20.433 1.00 0.00 C ATOM 1513 C PRO A 98 -4.523 -6.840 21.150 1.00 0.00 C ATOM 1514 O PRO A 98 -4.369 -6.555 22.321 1.00 0.00 O ATOM 1515 CB PRO A 98 -2.205 -7.170 20.191 1.00 0.00 C ATOM 1516 CG PRO A 98 -2.253 -6.614 18.793 1.00 0.00 C ATOM 1517 CD PRO A 98 -3.348 -7.382 18.029 1.00 0.00 C ATOM 0 HA PRO A 98 -3.525 -8.693 21.069 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -2.006 -6.383 20.919 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -1.408 -7.907 20.292 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.475 -5.547 18.812 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -1.288 -6.730 18.300 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -4.003 -6.701 17.486 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -2.915 -8.061 17.294 1.00 0.00 H new ATOM 1525 N LEU A 99 -5.497 -6.331 20.450 1.00 0.00 N ATOM 1526 CA LEU A 99 -6.450 -5.376 21.080 1.00 0.00 C ATOM 1527 C LEU A 99 -7.561 -6.142 21.803 1.00 0.00 C ATOM 1528 O LEU A 99 -8.210 -7.003 21.242 1.00 0.00 O ATOM 1529 CB LEU A 99 -7.056 -4.475 19.995 1.00 0.00 C ATOM 1530 CG LEU A 99 -8.136 -3.561 20.599 1.00 0.00 C ATOM 1531 CD1 LEU A 99 -7.556 -2.754 21.772 1.00 0.00 C ATOM 1532 CD2 LEU A 99 -8.641 -2.601 19.513 1.00 0.00 C ATOM 0 H LEU A 99 -5.675 -6.535 19.467 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.919 -4.762 21.807 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.274 -3.870 19.537 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.489 -5.088 19.205 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.960 -4.172 20.969 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.331 -2.111 22.190 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.197 -3.437 22.542 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.728 -2.140 21.417 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.407 -1.949 19.932 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.811 -1.997 19.147 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.064 -3.175 18.688 1.00 0.00 H new ATOM 1544 N GLU A 100 -7.787 -5.814 23.045 1.00 0.00 N ATOM 1545 CA GLU A 100 -8.860 -6.486 23.828 1.00 0.00 C ATOM 1546 C GLU A 100 -9.335 -5.520 24.915 1.00 0.00 C ATOM 1547 O GLU A 100 -10.191 -5.834 25.716 1.00 0.00 O ATOM 1548 CB GLU A 100 -8.311 -7.766 24.467 1.00 0.00 C ATOM 1549 CG GLU A 100 -7.083 -7.426 25.311 1.00 0.00 C ATOM 1550 CD GLU A 100 -6.545 -8.699 25.961 1.00 0.00 C ATOM 1551 OE1 GLU A 100 -7.345 -9.567 26.267 1.00 0.00 O ATOM 1552 OE2 GLU A 100 -5.341 -8.785 26.139 1.00 0.00 O ATOM 0 H GLU A 100 -7.267 -5.100 23.556 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.692 -6.754 23.177 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.075 -8.232 25.089 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.046 -8.487 23.694 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.314 -6.970 24.687 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.345 -6.696 26.077 1.00 0.00 H new ATOM 1559 N HIS A 101 -8.774 -4.339 24.946 1.00 0.00 N ATOM 1560 CA HIS A 101 -9.180 -3.341 25.974 1.00 0.00 C ATOM 1561 C HIS A 101 -10.627 -2.909 25.734 1.00 0.00 C ATOM 1562 O HIS A 101 -11.396 -2.750 26.662 1.00 0.00 O ATOM 1563 CB HIS A 101 -8.273 -2.112 25.883 1.00 0.00 C ATOM 1564 CG HIS A 101 -6.871 -2.479 26.287 1.00 0.00 C ATOM 1565 ND1 HIS A 101 -6.514 -2.695 27.609 1.00 0.00 N ATOM 1566 CD2 HIS A 101 -5.724 -2.658 25.554 1.00 0.00 C ATOM 1567 CE1 HIS A 101 -5.201 -2.990 27.631 1.00 0.00 C ATOM 1568 NE2 HIS A 101 -4.670 -2.981 26.405 1.00 0.00 N ATOM 0 H HIS A 101 -8.050 -4.024 24.300 1.00 0.00 H new ATOM 0 HA HIS A 101 -9.092 -3.794 26.962 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -8.277 -1.721 24.866 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -8.652 -1.321 26.530 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -5.650 -2.563 24.481 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -4.644 -3.208 28.530 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -3.701 -3.170 26.148 1.00 0.00 H new ATOM 1576 N HIS A 102 -11.003 -2.710 24.493 1.00 0.00 N ATOM 1577 CA HIS A 102 -12.403 -2.279 24.175 1.00 0.00 C ATOM 1578 C HIS A 102 -13.163 -3.435 23.526 1.00 0.00 C ATOM 1579 O HIS A 102 -12.685 -4.065 22.604 1.00 0.00 O ATOM 1580 CB HIS A 102 -12.360 -1.095 23.207 1.00 0.00 C ATOM 1581 CG HIS A 102 -11.736 0.088 23.895 1.00 0.00 C ATOM 1582 ND1 HIS A 102 -12.378 0.767 24.918 1.00 0.00 N ATOM 1583 CD2 HIS A 102 -10.533 0.724 23.718 1.00 0.00 C ATOM 1584 CE1 HIS A 102 -11.565 1.765 25.314 1.00 0.00 C ATOM 1585 NE2 HIS A 102 -10.427 1.783 24.616 1.00 0.00 N ATOM 0 H HIS A 102 -10.397 -2.828 23.681 1.00 0.00 H new ATOM 0 HA HIS A 102 -12.909 -1.985 25.095 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -11.786 -1.358 22.318 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -13.368 -0.846 22.874 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -9.783 0.446 22.993 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -11.804 2.465 26.100 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -9.647 2.433 24.718 1.00 0.00 H new ATOM 1593 N HIS A 103 -14.349 -3.718 23.999 1.00 0.00 N ATOM 1594 CA HIS A 103 -15.146 -4.834 23.409 1.00 0.00 C ATOM 1595 C HIS A 103 -16.640 -4.534 23.550 1.00 0.00 C ATOM 1596 O HIS A 103 -17.041 -3.651 24.279 1.00 0.00 O ATOM 1597 CB HIS A 103 -14.826 -6.140 24.137 1.00 0.00 C ATOM 1598 CG HIS A 103 -15.660 -7.246 23.550 1.00 0.00 C ATOM 1599 ND1 HIS A 103 -15.467 -7.711 22.259 1.00 0.00 N ATOM 1600 CD2 HIS A 103 -16.697 -7.983 24.064 1.00 0.00 C ATOM 1601 CE1 HIS A 103 -16.369 -8.687 22.041 1.00 0.00 C ATOM 1602 NE2 HIS A 103 -17.143 -8.892 23.109 1.00 0.00 N ATOM 0 H HIS A 103 -14.800 -3.224 24.769 1.00 0.00 H new ATOM 0 HA HIS A 103 -14.891 -4.932 22.354 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -13.766 -6.375 24.039 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -15.033 -6.037 25.202 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -17.105 -7.874 25.058 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -16.456 -9.237 21.115 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -17.899 -9.570 23.205 1.00 0.00 H new ATOM 1610 N HIS A 104 -17.466 -5.267 22.853 1.00 0.00 N ATOM 1611 CA HIS A 104 -18.935 -5.030 22.938 1.00 0.00 C ATOM 1612 C HIS A 104 -19.227 -3.545 22.705 1.00 0.00 C ATOM 1613 O HIS A 104 -20.339 -3.092 22.888 1.00 0.00 O ATOM 1614 CB HIS A 104 -19.456 -5.450 24.319 1.00 0.00 C ATOM 1615 CG HIS A 104 -20.950 -5.269 24.367 1.00 0.00 C ATOM 1616 ND1 HIS A 104 -21.818 -6.093 23.666 1.00 0.00 N ATOM 1617 CD2 HIS A 104 -21.747 -4.368 25.032 1.00 0.00 C ATOM 1618 CE1 HIS A 104 -23.072 -5.675 23.922 1.00 0.00 C ATOM 1619 NE2 HIS A 104 -23.086 -4.628 24.749 1.00 0.00 N ATOM 0 H HIS A 104 -17.185 -6.022 22.227 1.00 0.00 H new ATOM 0 HA HIS A 104 -19.438 -5.623 22.175 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -19.198 -6.491 24.516 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -18.981 -4.851 25.096 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -21.389 -3.578 25.676 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -23.959 -6.132 23.508 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -23.902 -4.126 25.099 1.00 0.00 H new ATOM 1627 N HIS A 105 -18.238 -2.784 22.298 1.00 0.00 N ATOM 1628 CA HIS A 105 -18.453 -1.324 22.043 1.00 0.00 C ATOM 1629 C HIS A 105 -17.790 -0.928 20.722 1.00 0.00 C ATOM 1630 O HIS A 105 -16.752 -1.442 20.358 1.00 0.00 O ATOM 1631 CB HIS A 105 -17.839 -0.510 23.180 1.00 0.00 C ATOM 1632 CG HIS A 105 -18.606 -0.766 24.446 1.00 0.00 C ATOM 1633 ND1 HIS A 105 -18.184 -1.681 25.397 1.00 0.00 N ATOM 1634 CD2 HIS A 105 -19.776 -0.234 24.931 1.00 0.00 C ATOM 1635 CE1 HIS A 105 -19.085 -1.673 26.397 1.00 0.00 C ATOM 1636 NE2 HIS A 105 -20.077 -0.809 26.162 1.00 0.00 N ATOM 0 H HIS A 105 -17.287 -3.113 22.131 1.00 0.00 H new ATOM 0 HA HIS A 105 -19.523 -1.124 21.987 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -16.792 -0.783 23.314 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -17.862 0.552 22.936 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -17.343 -2.256 25.348 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -20.372 0.516 24.433 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -19.015 -2.289 27.281 1.00 0.00 H new ATOM 1644 N HIS A 106 -18.385 -0.014 20.008 1.00 0.00 N ATOM 1645 CA HIS A 106 -17.803 0.432 18.712 1.00 0.00 C ATOM 1646 C HIS A 106 -18.566 1.663 18.229 1.00 0.00 C ATOM 1647 O HIS A 106 -17.938 2.546 17.669 1.00 0.00 O ATOM 1648 CB HIS A 106 -17.925 -0.687 17.670 1.00 0.00 C ATOM 1649 CG HIS A 106 -19.376 -1.016 17.446 1.00 0.00 C ATOM 1650 ND1 HIS A 106 -20.099 -1.805 18.326 1.00 0.00 N ATOM 1651 CD2 HIS A 106 -20.250 -0.677 16.443 1.00 0.00 C ATOM 1652 CE1 HIS A 106 -21.348 -1.916 17.840 1.00 0.00 C ATOM 1653 NE2 HIS A 106 -21.495 -1.246 16.693 1.00 0.00 N ATOM 1654 OXT HIS A 106 -19.768 1.703 18.433 1.00 0.00 O ATOM 0 H HIS A 106 -19.257 0.447 20.269 1.00 0.00 H new ATOM 0 HA HIS A 106 -16.749 0.674 18.848 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -17.464 -0.376 16.733 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -17.389 -1.573 18.010 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -20.008 -0.062 15.589 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -22.136 -2.478 18.318 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -22.338 -1.168 16.124 1.00 0.00 H new TER 1662 HIS A 106