USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 689 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 30 SER OG : rot 53:sc= -1.51! USER MOD Set 1.2: A 80 ASN : amide:sc= 1.21 X(o=-0.3,f=0.0096) USER MOD Set 2.1: A 69 TYR OH : rot 152:sc= 0.0953 USER MOD Set 2.2: A 75 THR OG1 : rot 21:sc= 0.996 USER MOD Set 3.1: A 25 GLN : amide:sc= -1.81! C(o=-1.6!,f=-14!) USER MOD Set 3.2: A 62 GLN : amide:sc= 0.197 K(o=-1.6,f=-10!) USER MOD Set 4.1: A 22 HIS : no HD1:sc= -1.02 K(o=-0.75,f=-2.1!) USER MOD Set 4.2: A 59 SER OG : rot 65:sc= 0.265 USER MOD Single : A 27 SER OG : rot 156:sc= 0.544 USER MOD Single : A 31 GLN : amide:sc= -0.0355 K(o=-0.035,f=-0.73) USER MOD Single : A 39 LYS NZ :NH3+ 134:sc= -0.125 (180deg=-0.737) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -151:sc= 1.05 (180deg=0.426) USER MOD Single : A 48 ASN : amide:sc= -3.21! K(o=-3.2!,f=-0.95) USER MOD Single : A 64 LYS NZ :NH3+ 152:sc= -0.0953! (180deg=-0.942!) USER MOD Single : A 73 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.00095) USER MOD Single : A 76 ASN : amide:sc= -0.734! X(o=-0.73!,f=-0.37) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.678 X(o=-0.68,f=-1.1) USER MOD Single : A 88 THR OG1 : rot 7:sc= 1.02 USER MOD Single : A 93 ASN : amide:sc= 0.623 K(o=0.62,f=-1.6!) USER MOD Single : A 96 SER OG : rot -54:sc= 0.217 USER MOD Single : A 98 LYS NZ :NH3+ -166:sc= -0.0416 (180deg=-0.316) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 2.282 -11.642 -1.891 1.00 0.00 N ATOM 2 CA GLY A 15 3.349 -12.548 -2.319 1.00 0.00 C ATOM 3 C GLY A 15 4.632 -11.797 -2.510 1.00 0.00 C ATOM 4 O GLY A 15 5.157 -11.707 -3.609 1.00 0.00 O ATOM 0 HA2 GLY A 15 3.488 -13.333 -1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.066 -13.038 -3.250 1.00 0.00 H new ATOM 8 N LEU A 16 5.148 -11.273 -1.430 1.00 0.00 N ATOM 9 CA LEU A 16 6.342 -10.481 -1.433 1.00 0.00 C ATOM 10 C LEU A 16 6.943 -10.432 -0.058 1.00 0.00 C ATOM 11 O LEU A 16 6.484 -11.116 0.839 1.00 0.00 O ATOM 12 CB LEU A 16 6.136 -9.044 -1.997 1.00 0.00 C ATOM 13 CG LEU A 16 4.914 -8.176 -1.580 1.00 0.00 C ATOM 14 CD1 LEU A 16 4.489 -8.377 -0.150 1.00 0.00 C ATOM 15 CD2 LEU A 16 5.288 -6.722 -1.760 1.00 0.00 C ATOM 0 H LEU A 16 4.737 -11.390 -0.504 1.00 0.00 H new ATOM 0 HA LEU A 16 7.035 -10.975 -2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.030 -8.474 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.107 -9.131 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 16 4.076 -8.478 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.632 -7.739 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.214 -9.420 0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.313 -8.117 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.446 -6.092 -1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.147 -6.487 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.541 -6.538 -2.804 1.00 0.00 H new ATOM 27 N ARG A 17 7.934 -9.606 0.115 1.00 0.00 N ATOM 28 CA ARG A 17 8.580 -9.496 1.384 1.00 0.00 C ATOM 29 C ARG A 17 7.938 -8.445 2.245 1.00 0.00 C ATOM 30 O ARG A 17 7.851 -8.641 3.454 1.00 0.00 O ATOM 31 CB ARG A 17 10.078 -9.254 1.254 1.00 0.00 C ATOM 32 CG ARG A 17 10.808 -10.407 0.622 1.00 0.00 C ATOM 33 CD ARG A 17 12.295 -10.156 0.545 1.00 0.00 C ATOM 34 NE ARG A 17 12.995 -11.289 -0.057 1.00 0.00 N ATOM 35 CZ ARG A 17 14.026 -11.187 -0.913 1.00 0.00 C ATOM 36 NH1 ARG A 17 14.536 -9.988 -1.213 1.00 0.00 N ATOM 37 NH2 ARG A 17 14.555 -12.281 -1.443 1.00 0.00 N ATOM 0 H ARG A 17 8.311 -8.998 -0.612 1.00 0.00 H new ATOM 0 HA ARG A 17 8.452 -10.459 1.878 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.245 -8.356 0.659 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.497 -9.064 2.242 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.622 -11.314 1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.416 -10.579 -0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.484 -9.256 -0.041 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.687 -9.973 1.545 1.00 0.00 H new ATOM 0 HE ARG A 17 12.678 -12.226 0.191 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.143 -9.147 -0.792 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.319 -9.915 -1.863 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.179 -13.198 -1.201 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.338 -12.206 -2.093 1.00 0.00 H new ATOM 51 N GLU A 18 7.458 -7.330 1.644 1.00 0.00 N ATOM 52 CA GLU A 18 6.850 -6.262 2.506 1.00 0.00 C ATOM 53 C GLU A 18 6.068 -5.175 1.772 1.00 0.00 C ATOM 54 O GLU A 18 6.388 -4.848 0.619 1.00 0.00 O ATOM 55 CB GLU A 18 7.941 -5.573 3.330 1.00 0.00 C ATOM 56 CG GLU A 18 9.068 -4.986 2.522 1.00 0.00 C ATOM 57 CD GLU A 18 10.316 -4.764 3.307 1.00 0.00 C ATOM 58 OE1 GLU A 18 10.903 -5.752 3.797 1.00 0.00 O ATOM 59 OE2 GLU A 18 10.742 -3.622 3.438 1.00 0.00 O ATOM 0 H GLU A 18 7.470 -7.142 0.641 1.00 0.00 H new ATOM 0 HA GLU A 18 6.128 -6.799 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.484 -4.779 3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.355 -6.295 4.034 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.288 -5.650 1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.743 -4.036 2.097 1.00 0.00 H new ATOM 66 N ILE A 19 5.025 -4.630 2.455 1.00 0.00 N ATOM 67 CA ILE A 19 4.348 -3.415 2.014 1.00 0.00 C ATOM 68 C ILE A 19 4.305 -2.417 3.158 1.00 0.00 C ATOM 69 O ILE A 19 3.908 -2.738 4.277 1.00 0.00 O ATOM 70 CB ILE A 19 2.910 -3.672 1.466 1.00 0.00 C ATOM 71 CG1 ILE A 19 2.962 -4.254 0.066 1.00 0.00 C ATOM 72 CG2 ILE A 19 2.017 -2.416 1.503 1.00 0.00 C ATOM 73 CD1 ILE A 19 3.466 -3.292 -0.981 1.00 0.00 C ATOM 0 H ILE A 19 4.646 -5.027 3.315 1.00 0.00 H new ATOM 0 HA ILE A 19 4.923 -3.012 1.180 1.00 0.00 H new ATOM 0 HB ILE A 19 2.450 -4.400 2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.604 -5.135 0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.963 -4.589 -0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.030 -2.659 1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.921 -2.068 2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.467 -1.631 0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.473 -3.784 -1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.812 -2.421 -1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.478 -2.975 -0.727 1.00 0.00 H new ATOM 85 N ARG A 20 4.740 -1.242 2.885 1.00 0.00 N ATOM 86 CA ARG A 20 4.735 -0.179 3.842 1.00 0.00 C ATOM 87 C ARG A 20 4.076 1.029 3.229 1.00 0.00 C ATOM 88 O ARG A 20 4.614 1.639 2.311 1.00 0.00 O ATOM 89 CB ARG A 20 6.154 0.176 4.278 1.00 0.00 C ATOM 90 CG ARG A 20 6.881 -0.893 5.076 1.00 0.00 C ATOM 91 CD ARG A 20 8.298 -0.449 5.352 1.00 0.00 C ATOM 92 NE ARG A 20 9.027 -1.349 6.227 1.00 0.00 N ATOM 93 CZ ARG A 20 10.337 -1.594 6.154 1.00 0.00 C ATOM 94 NH1 ARG A 20 11.063 -1.111 5.151 1.00 0.00 N ATOM 95 NH2 ARG A 20 10.903 -2.335 7.091 1.00 0.00 N ATOM 0 H ARG A 20 5.118 -0.979 1.975 1.00 0.00 H new ATOM 0 HA ARG A 20 4.182 -0.504 4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.742 0.404 3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.114 1.087 4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.359 -1.078 6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.885 -1.833 4.523 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.833 -0.361 4.407 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.278 0.544 5.801 1.00 0.00 H new ATOM 0 HE ARG A 20 8.498 -1.831 6.953 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.620 -0.546 4.426 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.063 -1.305 5.106 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.340 -2.710 7.854 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.903 -2.532 7.051 1.00 0.00 H new ATOM 109 N ILE A 21 2.927 1.369 3.707 1.00 0.00 N ATOM 110 CA ILE A 21 2.222 2.519 3.186 1.00 0.00 C ATOM 111 C ILE A 21 2.848 3.736 3.783 1.00 0.00 C ATOM 112 O ILE A 21 3.279 3.696 4.892 1.00 0.00 O ATOM 113 CB ILE A 21 0.772 2.621 3.680 1.00 0.00 C ATOM 114 CG1 ILE A 21 0.246 1.329 4.308 1.00 0.00 C ATOM 115 CG2 ILE A 21 -0.140 3.084 2.541 1.00 0.00 C ATOM 116 CD1 ILE A 21 -1.027 1.540 5.086 1.00 0.00 C ATOM 0 H ILE A 21 2.445 0.875 4.458 1.00 0.00 H new ATOM 0 HA ILE A 21 2.260 2.432 2.100 1.00 0.00 H new ATOM 0 HB ILE A 21 0.766 3.363 4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.070 0.593 3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.007 0.914 4.969 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.166 3.153 2.902 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.187 4.062 2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.091 2.367 1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.356 0.591 5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.848 2.254 5.890 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.799 1.928 4.422 1.00 0.00 H new ATOM 128 N HIS A 22 2.933 4.769 3.064 1.00 0.00 N ATOM 129 CA HIS A 22 3.230 6.029 3.659 1.00 0.00 C ATOM 130 C HIS A 22 1.909 6.739 3.846 1.00 0.00 C ATOM 131 O HIS A 22 1.186 6.977 2.880 1.00 0.00 O ATOM 132 CB HIS A 22 4.220 6.867 2.820 1.00 0.00 C ATOM 133 CG HIS A 22 5.668 6.489 3.010 1.00 0.00 C ATOM 134 ND1 HIS A 22 6.540 6.170 1.983 1.00 0.00 N ATOM 135 CD2 HIS A 22 6.408 6.445 4.136 1.00 0.00 C ATOM 136 CE1 HIS A 22 7.741 5.948 2.490 1.00 0.00 C ATOM 137 NE2 HIS A 22 7.687 6.109 3.786 1.00 0.00 N ATOM 0 H HIS A 22 2.803 4.786 2.052 1.00 0.00 H new ATOM 0 HA HIS A 22 3.734 5.883 4.614 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.964 6.762 1.766 1.00 0.00 H new ATOM 0 HB3 HIS A 22 4.095 7.919 3.075 1.00 0.00 H new ATOM 0 HD2 HIS A 22 6.054 6.640 5.137 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.622 5.678 1.926 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.470 6.002 4.431 1.00 0.00 H new ATOM 146 N LEU A 23 1.598 7.048 5.066 1.00 0.00 N ATOM 147 CA LEU A 23 0.352 7.652 5.433 1.00 0.00 C ATOM 148 C LEU A 23 0.638 8.865 6.301 1.00 0.00 C ATOM 149 O LEU A 23 1.717 8.964 6.857 1.00 0.00 O ATOM 150 CB LEU A 23 -0.486 6.632 6.233 1.00 0.00 C ATOM 151 CG LEU A 23 -1.867 7.098 6.706 1.00 0.00 C ATOM 152 CD1 LEU A 23 -2.777 7.402 5.525 1.00 0.00 C ATOM 153 CD2 LEU A 23 -2.493 6.071 7.627 1.00 0.00 C ATOM 0 H LEU A 23 2.220 6.883 5.857 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.198 7.955 4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.619 5.743 5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.090 6.330 7.108 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.737 8.022 7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.750 7.730 5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.333 8.190 4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.901 6.504 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.473 6.422 7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.604 5.126 7.096 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.854 5.925 8.498 1.00 0.00 H new ATOM 165 N CYS A 24 -0.314 9.771 6.363 1.00 0.00 N ATOM 166 CA CYS A 24 -0.306 10.988 7.170 1.00 0.00 C ATOM 167 C CYS A 24 -1.481 11.810 6.748 1.00 0.00 C ATOM 168 O CYS A 24 -2.311 11.342 5.952 1.00 0.00 O ATOM 169 CB CYS A 24 0.977 11.853 6.981 1.00 0.00 C ATOM 170 SG CYS A 24 2.325 11.553 8.182 1.00 0.00 S ATOM 0 H CYS A 24 -1.172 9.678 5.819 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.341 10.691 8.218 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.365 11.679 5.977 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.695 12.904 7.036 1.00 0.00 H new ATOM 175 N GLN A 25 -1.595 12.976 7.312 1.00 0.00 N ATOM 176 CA GLN A 25 -2.465 13.979 6.810 1.00 0.00 C ATOM 177 C GLN A 25 -1.696 15.275 6.898 1.00 0.00 C ATOM 178 O GLN A 25 -1.775 16.022 7.879 1.00 0.00 O ATOM 179 CB GLN A 25 -3.808 14.040 7.538 1.00 0.00 C ATOM 180 CG GLN A 25 -4.843 14.936 6.854 1.00 0.00 C ATOM 181 CD GLN A 25 -5.245 14.468 5.447 1.00 0.00 C ATOM 182 OE1 GLN A 25 -4.464 13.860 4.709 1.00 0.00 O ATOM 183 NE2 GLN A 25 -6.464 14.721 5.084 1.00 0.00 N ATOM 0 H GLN A 25 -1.076 13.254 8.145 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.748 13.757 5.781 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.212 13.031 7.619 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.644 14.401 8.553 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.735 14.984 7.478 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.445 15.949 6.789 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.089 15.225 5.713 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -6.798 14.416 4.170 1.00 0.00 H new ATOM 192 N ARG A 26 -0.851 15.452 5.929 1.00 0.00 N ATOM 193 CA ARG A 26 0.079 16.539 5.869 1.00 0.00 C ATOM 194 C ARG A 26 0.024 17.136 4.465 1.00 0.00 C ATOM 195 O ARG A 26 -0.334 18.312 4.292 1.00 0.00 O ATOM 196 CB ARG A 26 1.490 15.978 6.210 1.00 0.00 C ATOM 197 CG ARG A 26 2.593 16.996 6.518 1.00 0.00 C ATOM 198 CD ARG A 26 3.006 17.811 5.314 1.00 0.00 C ATOM 199 NE ARG A 26 4.080 18.747 5.620 1.00 0.00 N ATOM 200 CZ ARG A 26 4.828 19.364 4.694 1.00 0.00 C ATOM 201 NH1 ARG A 26 4.548 19.213 3.400 1.00 0.00 N ATOM 202 NH2 ARG A 26 5.842 20.126 5.062 1.00 0.00 N ATOM 0 H ARG A 26 -0.787 14.821 5.130 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.160 17.328 6.582 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.391 15.316 7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.821 15.364 5.372 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.248 17.669 7.303 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.464 16.470 6.909 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.328 17.140 4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.144 18.362 4.938 1.00 0.00 H new ATOM 0 HE ARG A 26 4.275 18.945 6.601 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.764 18.627 3.113 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.118 19.683 2.697 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.057 20.246 6.052 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.410 20.595 4.356 1.00 0.00 H new ATOM 216 N SER A 27 0.369 16.345 3.471 1.00 0.00 N ATOM 217 CA SER A 27 0.309 16.792 2.108 1.00 0.00 C ATOM 218 C SER A 27 -0.853 16.001 1.403 1.00 0.00 C ATOM 219 O SER A 27 -1.707 15.522 2.148 1.00 0.00 O ATOM 220 CB SER A 27 1.693 16.601 1.507 1.00 0.00 C ATOM 221 OG SER A 27 2.670 17.378 2.195 1.00 0.00 O ATOM 0 H SER A 27 0.695 15.386 3.589 1.00 0.00 H new ATOM 0 HA SER A 27 0.070 17.849 1.989 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.968 15.547 1.550 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.676 16.883 0.454 1.00 0.00 H new ATOM 0 HG SER A 27 3.554 16.973 2.075 1.00 0.00 H new ATOM 227 N PRO A 28 -0.959 15.916 -0.010 1.00 0.00 N ATOM 228 CA PRO A 28 -2.030 15.217 -0.756 1.00 0.00 C ATOM 229 C PRO A 28 -2.871 14.177 0.007 1.00 0.00 C ATOM 230 O PRO A 28 -2.531 12.979 0.066 1.00 0.00 O ATOM 231 CB PRO A 28 -1.254 14.574 -1.903 1.00 0.00 C ATOM 232 CG PRO A 28 -0.115 15.518 -2.166 1.00 0.00 C ATOM 233 CD PRO A 28 -0.068 16.512 -1.015 1.00 0.00 C ATOM 0 HA PRO A 28 -2.808 15.926 -1.038 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.892 13.583 -1.630 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.881 14.453 -2.787 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.826 14.972 -2.240 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.258 16.036 -3.114 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.945 16.634 -0.631 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.413 17.499 -1.323 1.00 0.00 H new ATOM 241 N GLY A 29 -3.942 14.663 0.617 1.00 0.00 N ATOM 242 CA GLY A 29 -4.854 13.820 1.320 1.00 0.00 C ATOM 243 C GLY A 29 -5.637 13.006 0.350 1.00 0.00 C ATOM 244 O GLY A 29 -6.347 13.561 -0.509 1.00 0.00 O ATOM 0 H GLY A 29 -4.189 15.653 0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.309 13.166 2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.527 14.424 1.929 1.00 0.00 H new ATOM 248 N SER A 30 -5.511 11.727 0.448 1.00 0.00 N ATOM 249 CA SER A 30 -6.118 10.857 -0.469 1.00 0.00 C ATOM 250 C SER A 30 -7.251 10.073 0.201 1.00 0.00 C ATOM 251 O SER A 30 -7.073 9.378 1.229 1.00 0.00 O ATOM 252 CB SER A 30 -5.061 9.964 -1.034 1.00 0.00 C ATOM 253 OG SER A 30 -3.923 10.734 -1.399 1.00 0.00 O ATOM 0 H SER A 30 -4.975 11.261 1.180 1.00 0.00 H new ATOM 0 HA SER A 30 -6.576 11.416 -1.285 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.780 9.209 -0.300 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.447 9.434 -1.905 1.00 0.00 H new ATOM 0 HG SER A 30 -3.635 11.274 -0.634 1.00 0.00 H new ATOM 259 N GLN A 31 -8.363 10.130 -0.426 1.00 0.00 N ATOM 260 CA GLN A 31 -9.602 9.623 0.109 1.00 0.00 C ATOM 261 C GLN A 31 -9.778 8.177 -0.218 1.00 0.00 C ATOM 262 O GLN A 31 -10.298 7.404 0.598 1.00 0.00 O ATOM 263 CB GLN A 31 -10.811 10.526 -0.287 1.00 0.00 C ATOM 264 CG GLN A 31 -10.902 10.961 -1.763 1.00 0.00 C ATOM 265 CD GLN A 31 -11.306 9.861 -2.716 1.00 0.00 C ATOM 266 OE1 GLN A 31 -12.054 8.968 -2.363 1.00 0.00 O ATOM 267 NE2 GLN A 31 -10.813 9.912 -3.920 1.00 0.00 N ATOM 0 H GLN A 31 -8.457 10.540 -1.355 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.559 9.672 1.197 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.728 9.995 -0.032 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.780 11.424 0.330 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.620 11.777 -1.845 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.934 11.356 -2.073 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.189 10.674 -4.184 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.051 9.190 -4.600 1.00 0.00 H new ATOM 276 N GLY A 32 -9.262 7.794 -1.369 1.00 0.00 N ATOM 277 CA GLY A 32 -9.293 6.429 -1.763 1.00 0.00 C ATOM 278 C GLY A 32 -8.259 5.674 -0.992 1.00 0.00 C ATOM 279 O GLY A 32 -8.423 4.486 -0.692 1.00 0.00 O ATOM 0 H GLY A 32 -8.818 8.423 -2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.281 6.007 -1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.103 6.342 -2.833 1.00 0.00 H new ATOM 283 N VAL A 33 -7.192 6.372 -0.604 1.00 0.00 N ATOM 284 CA VAL A 33 -6.184 5.685 0.167 1.00 0.00 C ATOM 285 C VAL A 33 -6.689 5.479 1.568 1.00 0.00 C ATOM 286 O VAL A 33 -6.534 4.430 2.100 1.00 0.00 O ATOM 287 CB VAL A 33 -4.749 6.304 0.155 1.00 0.00 C ATOM 288 CG1 VAL A 33 -4.336 6.706 -1.232 1.00 0.00 C ATOM 289 CG2 VAL A 33 -4.539 7.422 1.164 1.00 0.00 C ATOM 0 H VAL A 33 -7.016 7.357 -0.801 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.033 4.731 -0.339 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.085 5.506 0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.333 7.133 -1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.340 5.830 -1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.035 7.447 -1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.517 7.794 1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.237 8.234 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.712 7.041 2.170 1.00 0.00 H new ATOM 299 N ARG A 34 -7.321 6.507 2.155 1.00 0.00 N ATOM 300 CA ARG A 34 -7.966 6.379 3.452 1.00 0.00 C ATOM 301 C ARG A 34 -8.964 5.274 3.417 1.00 0.00 C ATOM 302 O ARG A 34 -9.113 4.553 4.368 1.00 0.00 O ATOM 303 CB ARG A 34 -8.674 7.630 3.864 1.00 0.00 C ATOM 304 CG ARG A 34 -8.866 7.647 5.376 1.00 0.00 C ATOM 305 CD ARG A 34 -9.424 8.940 5.932 1.00 0.00 C ATOM 306 NE ARG A 34 -9.376 8.915 7.415 1.00 0.00 N ATOM 307 CZ ARG A 34 -9.410 9.993 8.222 1.00 0.00 C ATOM 308 NH1 ARG A 34 -9.622 11.192 7.728 1.00 0.00 N ATOM 309 NH2 ARG A 34 -9.248 9.853 9.536 1.00 0.00 N ATOM 0 H ARG A 34 -7.394 7.437 1.742 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.176 6.173 4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.099 8.502 3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.641 7.691 3.366 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.534 6.831 5.652 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.906 7.448 5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.849 9.786 5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.451 9.077 5.595 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.312 8.001 7.863 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.763 11.313 6.725 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.646 12.002 8.348 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.097 8.927 9.935 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.274 10.672 10.143 1.00 0.00 H new ATOM 323 N ASP A 35 -9.646 5.163 2.310 1.00 0.00 N ATOM 324 CA ASP A 35 -10.576 4.049 2.092 1.00 0.00 C ATOM 325 C ASP A 35 -9.868 2.765 2.295 1.00 0.00 C ATOM 326 O ASP A 35 -10.358 1.900 3.011 1.00 0.00 O ATOM 327 CB ASP A 35 -11.209 4.037 0.708 1.00 0.00 C ATOM 328 CG ASP A 35 -12.414 4.905 0.516 1.00 0.00 C ATOM 329 OD1 ASP A 35 -13.248 5.012 1.437 1.00 0.00 O ATOM 330 OD2 ASP A 35 -12.575 5.498 -0.572 1.00 0.00 O ATOM 0 H ASP A 35 -9.587 5.823 1.534 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.382 4.183 2.814 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.452 4.339 -0.016 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.487 3.010 0.469 1.00 0.00 H new ATOM 335 N PHE A 36 -8.725 2.636 1.657 1.00 0.00 N ATOM 336 CA PHE A 36 -7.846 1.516 1.893 1.00 0.00 C ATOM 337 C PHE A 36 -7.614 1.394 3.380 1.00 0.00 C ATOM 338 O PHE A 36 -8.096 0.475 3.993 1.00 0.00 O ATOM 339 CB PHE A 36 -6.513 1.667 1.049 1.00 0.00 C ATOM 340 CG PHE A 36 -5.230 0.940 1.512 1.00 0.00 C ATOM 341 CD1 PHE A 36 -4.617 1.234 2.727 1.00 0.00 C ATOM 342 CD2 PHE A 36 -4.611 0.015 0.693 1.00 0.00 C ATOM 343 CE1 PHE A 36 -3.449 0.614 3.096 1.00 0.00 C ATOM 344 CE2 PHE A 36 -3.429 -0.596 1.056 1.00 0.00 C ATOM 345 CZ PHE A 36 -2.849 -0.297 2.260 1.00 0.00 C ATOM 0 H PHE A 36 -8.382 3.301 0.964 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.300 0.585 1.553 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.730 1.332 0.035 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.282 2.731 0.991 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.067 1.960 3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.064 -0.236 -0.255 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.998 0.844 4.050 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.962 -1.309 0.392 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.925 -0.775 2.551 1.00 0.00 H new ATOM 355 N ILE A 37 -7.050 2.422 3.935 1.00 0.00 N ATOM 356 CA ILE A 37 -6.580 2.448 5.333 1.00 0.00 C ATOM 357 C ILE A 37 -7.736 2.121 6.350 1.00 0.00 C ATOM 358 O ILE A 37 -7.486 1.628 7.442 1.00 0.00 O ATOM 359 CB ILE A 37 -6.007 3.846 5.790 1.00 0.00 C ATOM 360 CG1 ILE A 37 -5.304 4.739 4.708 1.00 0.00 C ATOM 361 CG2 ILE A 37 -5.084 3.670 6.983 1.00 0.00 C ATOM 362 CD1 ILE A 37 -4.034 4.198 4.094 1.00 0.00 C ATOM 0 H ILE A 37 -6.889 3.298 3.438 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.793 1.694 5.347 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.907 4.408 6.041 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.017 4.923 3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.077 5.704 5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.695 4.641 7.289 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.638 3.225 7.809 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.255 3.018 6.709 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.651 4.911 3.364 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.290 4.043 4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.244 3.249 3.600 1.00 0.00 H new ATOM 374 N GLU A 38 -8.978 2.423 5.991 1.00 0.00 N ATOM 375 CA GLU A 38 -10.092 2.312 6.934 1.00 0.00 C ATOM 376 C GLU A 38 -10.937 1.112 6.633 1.00 0.00 C ATOM 377 O GLU A 38 -11.055 0.165 7.418 1.00 0.00 O ATOM 378 CB GLU A 38 -10.994 3.558 6.874 1.00 0.00 C ATOM 379 CG GLU A 38 -10.332 4.871 7.239 1.00 0.00 C ATOM 380 CD GLU A 38 -9.818 4.895 8.647 1.00 0.00 C ATOM 381 OE1 GLU A 38 -10.610 4.657 9.581 1.00 0.00 O ATOM 382 OE2 GLU A 38 -8.634 5.212 8.859 1.00 0.00 O ATOM 0 H GLU A 38 -9.242 2.745 5.060 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.655 2.217 7.928 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.396 3.644 5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.841 3.402 7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.506 5.058 6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.048 5.682 7.105 1.00 0.00 H new ATOM 389 N LYS A 39 -11.486 1.163 5.458 1.00 0.00 N ATOM 390 CA LYS A 39 -12.465 0.244 4.987 1.00 0.00 C ATOM 391 C LYS A 39 -11.817 -1.011 4.531 1.00 0.00 C ATOM 392 O LYS A 39 -12.298 -2.117 4.786 1.00 0.00 O ATOM 393 CB LYS A 39 -13.149 0.870 3.783 1.00 0.00 C ATOM 394 CG LYS A 39 -14.341 0.095 3.268 1.00 0.00 C ATOM 395 CD LYS A 39 -14.897 0.723 2.010 1.00 0.00 C ATOM 396 CE LYS A 39 -16.237 0.117 1.648 1.00 0.00 C ATOM 397 NZ LYS A 39 -17.235 0.364 2.711 1.00 0.00 N ATOM 0 H LYS A 39 -11.250 1.881 4.773 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.169 0.023 5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.472 1.877 4.047 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.421 0.970 2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.049 -0.935 3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.115 0.062 4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.007 1.798 2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.196 0.581 1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.590 0.541 0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.125 -0.956 1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.125 0.689 2.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.405 -0.516 3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.877 1.093 3.360 1.00 0.00 H new ATOM 411 N ARG A 40 -10.711 -0.855 3.876 1.00 0.00 N ATOM 412 CA ARG A 40 -10.137 -1.942 3.220 1.00 0.00 C ATOM 413 C ARG A 40 -9.072 -2.566 4.086 1.00 0.00 C ATOM 414 O ARG A 40 -8.735 -3.659 3.883 1.00 0.00 O ATOM 415 CB ARG A 40 -9.573 -1.459 1.884 1.00 0.00 C ATOM 416 CG ARG A 40 -9.115 -2.543 0.957 1.00 0.00 C ATOM 417 CD ARG A 40 -10.269 -3.404 0.498 1.00 0.00 C ATOM 418 NE ARG A 40 -9.858 -4.414 -0.470 1.00 0.00 N ATOM 419 CZ ARG A 40 -10.443 -5.612 -0.609 1.00 0.00 C ATOM 420 NH1 ARG A 40 -11.522 -5.918 0.113 1.00 0.00 N ATOM 421 NH2 ARG A 40 -9.990 -6.469 -1.516 1.00 0.00 N ATOM 0 H ARG A 40 -10.201 0.024 3.792 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.885 -2.711 3.027 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.336 -0.868 1.378 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.733 -0.793 2.082 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.624 -2.099 0.091 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.374 -3.164 1.460 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.719 -3.894 1.361 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.037 -2.771 0.054 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.073 -4.194 -1.083 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.904 -5.240 0.772 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.966 -6.830 0.006 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.198 -6.216 -2.106 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.434 -7.381 -1.623 1.00 0.00 H new ATOM 435 N TYR A 41 -8.579 -1.819 5.063 1.00 0.00 N ATOM 436 CA TYR A 41 -7.454 -2.234 5.971 1.00 0.00 C ATOM 437 C TYR A 41 -7.413 -3.714 6.354 1.00 0.00 C ATOM 438 O TYR A 41 -6.539 -4.457 5.911 1.00 0.00 O ATOM 439 CB TYR A 41 -7.462 -1.394 7.228 1.00 0.00 C ATOM 440 CG TYR A 41 -6.268 -1.595 8.132 1.00 0.00 C ATOM 441 CD1 TYR A 41 -5.045 -0.995 7.857 1.00 0.00 C ATOM 442 CD2 TYR A 41 -6.372 -2.390 9.260 1.00 0.00 C ATOM 443 CE1 TYR A 41 -3.959 -1.188 8.688 1.00 0.00 C ATOM 444 CE2 TYR A 41 -5.310 -2.593 10.090 1.00 0.00 C ATOM 445 CZ TYR A 41 -4.095 -1.990 9.809 1.00 0.00 C ATOM 446 OH TYR A 41 -3.016 -2.195 10.646 1.00 0.00 O ATOM 0 H TYR A 41 -8.937 -0.887 5.273 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.555 -2.065 5.379 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.513 -0.343 6.945 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.368 -1.617 7.791 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.943 -0.370 6.982 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.317 -2.861 9.488 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.012 -0.718 8.466 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.415 -3.221 10.962 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.282 -2.781 11.385 1.00 0.00 H new ATOM 456 N VAL A 42 -8.311 -4.113 7.180 1.00 0.00 N ATOM 457 CA VAL A 42 -8.369 -5.470 7.657 1.00 0.00 C ATOM 458 C VAL A 42 -8.584 -6.443 6.487 1.00 0.00 C ATOM 459 O VAL A 42 -7.980 -7.533 6.431 1.00 0.00 O ATOM 460 CB VAL A 42 -9.442 -5.577 8.749 1.00 0.00 C ATOM 461 CG1 VAL A 42 -10.689 -4.834 8.320 1.00 0.00 C ATOM 462 CG2 VAL A 42 -9.734 -7.024 9.113 1.00 0.00 C ATOM 0 H VAL A 42 -9.041 -3.508 7.556 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.419 -5.755 8.110 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.062 -5.107 9.656 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.447 -4.914 9.100 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.448 -3.784 8.155 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.072 -5.268 7.396 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.499 -7.057 9.889 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.089 -7.557 8.231 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.824 -7.498 9.480 1.00 0.00 H new ATOM 472 N GLU A 43 -9.346 -5.989 5.514 1.00 0.00 N ATOM 473 CA GLU A 43 -9.559 -6.732 4.315 1.00 0.00 C ATOM 474 C GLU A 43 -8.277 -6.832 3.527 1.00 0.00 C ATOM 475 O GLU A 43 -8.064 -7.809 2.954 1.00 0.00 O ATOM 476 CB GLU A 43 -10.664 -6.130 3.442 1.00 0.00 C ATOM 477 CG GLU A 43 -12.058 -6.136 4.044 1.00 0.00 C ATOM 478 CD GLU A 43 -12.579 -7.525 4.311 1.00 0.00 C ATOM 479 OE1 GLU A 43 -12.648 -8.362 3.367 1.00 0.00 O ATOM 480 OE2 GLU A 43 -12.921 -7.824 5.469 1.00 0.00 O ATOM 0 H GLU A 43 -9.831 -5.092 5.544 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.886 -7.729 4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.395 -5.100 3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.694 -6.675 2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.047 -5.573 4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.741 -5.621 3.369 1.00 0.00 H new ATOM 487 N LEU A 44 -7.394 -5.834 3.555 1.00 0.00 N ATOM 488 CA LEU A 44 -6.188 -5.922 2.767 1.00 0.00 C ATOM 489 C LEU A 44 -5.155 -6.758 3.459 1.00 0.00 C ATOM 490 O LEU A 44 -4.289 -7.345 2.818 1.00 0.00 O ATOM 491 CB LEU A 44 -5.710 -4.536 2.309 1.00 0.00 C ATOM 492 CG LEU A 44 -5.366 -3.494 3.354 1.00 0.00 C ATOM 493 CD1 LEU A 44 -3.906 -3.480 3.654 1.00 0.00 C ATOM 494 CD2 LEU A 44 -5.836 -2.148 2.924 1.00 0.00 C ATOM 0 H LEU A 44 -7.495 -4.980 4.103 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.404 -6.452 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.827 -4.682 1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.485 -4.116 1.668 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.884 -3.761 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.697 -2.721 4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.602 -4.457 4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.350 -3.252 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.580 -1.413 3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.355 -1.878 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.917 -2.167 2.786 1.00 0.00 H new ATOM 506 N LYS A 45 -5.299 -6.855 4.764 1.00 0.00 N ATOM 507 CA LYS A 45 -4.478 -7.737 5.561 1.00 0.00 C ATOM 508 C LYS A 45 -4.825 -9.193 5.250 1.00 0.00 C ATOM 509 O LYS A 45 -3.941 -10.036 5.103 1.00 0.00 O ATOM 510 CB LYS A 45 -4.679 -7.456 7.054 1.00 0.00 C ATOM 511 CG LYS A 45 -4.229 -6.069 7.489 1.00 0.00 C ATOM 512 CD LYS A 45 -4.459 -5.824 8.970 1.00 0.00 C ATOM 513 CE LYS A 45 -3.739 -6.842 9.840 1.00 0.00 C ATOM 514 NZ LYS A 45 -3.891 -6.552 11.281 1.00 0.00 N ATOM 0 H LYS A 45 -5.987 -6.326 5.299 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.432 -7.558 5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.735 -7.577 7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.132 -8.202 7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.170 -5.946 7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.767 -5.318 6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.117 -4.822 9.228 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.528 -5.860 9.181 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.128 -7.838 9.629 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.680 -6.853 9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.384 -7.271 11.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.496 -5.613 11.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.900 -6.568 11.534 1.00 0.00 H new ATOM 528 N LYS A 46 -6.124 -9.476 5.124 1.00 0.00 N ATOM 529 CA LYS A 46 -6.584 -10.842 4.847 1.00 0.00 C ATOM 530 C LYS A 46 -6.614 -11.119 3.344 1.00 0.00 C ATOM 531 O LYS A 46 -6.539 -12.283 2.909 1.00 0.00 O ATOM 532 CB LYS A 46 -7.997 -11.023 5.404 1.00 0.00 C ATOM 533 CG LYS A 46 -9.038 -10.231 4.634 1.00 0.00 C ATOM 534 CD LYS A 46 -10.234 -9.891 5.497 1.00 0.00 C ATOM 535 CE LYS A 46 -11.322 -10.915 5.340 1.00 0.00 C ATOM 536 NZ LYS A 46 -11.874 -10.870 3.970 1.00 0.00 N ATOM 0 H LYS A 46 -6.871 -8.786 5.208 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.890 -11.537 5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.260 -12.081 5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.013 -10.715 6.450 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.590 -9.312 4.255 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.366 -10.806 3.768 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.929 -9.837 6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.615 -8.907 5.225 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.928 -11.910 5.548 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.114 -10.728 6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.869 -11.172 3.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.813 -9.899 3.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.329 -11.508 3.355 1.00 0.00 H new ATOM 550 N ALA A 47 -6.748 -10.056 2.551 1.00 0.00 N ATOM 551 CA ALA A 47 -6.911 -10.192 1.125 1.00 0.00 C ATOM 552 C ALA A 47 -5.652 -10.658 0.510 1.00 0.00 C ATOM 553 O ALA A 47 -5.651 -11.433 -0.432 1.00 0.00 O ATOM 554 CB ALA A 47 -7.296 -8.891 0.436 1.00 0.00 C ATOM 0 H ALA A 47 -6.745 -9.092 2.885 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.719 -10.911 0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.402 -9.064 -0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.242 -8.531 0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.520 -8.145 0.608 1.00 0.00 H new ATOM 560 N ASN A 48 -4.579 -10.192 1.076 1.00 0.00 N ATOM 561 CA ASN A 48 -3.282 -10.406 0.575 1.00 0.00 C ATOM 562 C ASN A 48 -2.468 -10.869 1.772 1.00 0.00 C ATOM 563 O ASN A 48 -1.873 -10.074 2.480 1.00 0.00 O ATOM 564 CB ASN A 48 -2.692 -9.100 -0.035 1.00 0.00 C ATOM 565 CG ASN A 48 -3.597 -8.387 -1.080 1.00 0.00 C ATOM 566 OD1 ASN A 48 -4.356 -9.021 -1.800 1.00 0.00 O ATOM 567 ND2 ASN A 48 -3.520 -7.051 -1.165 1.00 0.00 N ATOM 0 H ASN A 48 -4.599 -9.634 1.930 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.274 -11.141 -0.230 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.482 -8.402 0.776 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.738 -9.337 -0.506 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.100 -6.549 -1.837 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.882 -6.537 -0.557 1.00 0.00 H new ATOM 574 N PRO A 49 -2.554 -12.165 2.068 1.00 0.00 N ATOM 575 CA PRO A 49 -1.939 -12.791 3.258 1.00 0.00 C ATOM 576 C PRO A 49 -0.454 -12.613 3.295 1.00 0.00 C ATOM 577 O PRO A 49 0.118 -12.150 4.278 1.00 0.00 O ATOM 578 CB PRO A 49 -2.301 -14.271 3.100 1.00 0.00 C ATOM 579 CG PRO A 49 -2.588 -14.404 1.649 1.00 0.00 C ATOM 580 CD PRO A 49 -3.277 -13.139 1.270 1.00 0.00 C ATOM 0 HA PRO A 49 -2.297 -12.346 4.186 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.481 -14.920 3.408 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.166 -14.540 3.707 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.670 -14.539 1.077 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.218 -15.271 1.450 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.199 -12.934 0.202 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.339 -13.162 1.514 1.00 0.00 H new ATOM 588 N ASP A 50 0.151 -12.941 2.212 1.00 0.00 N ATOM 589 CA ASP A 50 1.607 -12.810 2.054 1.00 0.00 C ATOM 590 C ASP A 50 1.946 -11.371 1.615 1.00 0.00 C ATOM 591 O ASP A 50 2.814 -11.115 0.766 1.00 0.00 O ATOM 592 CB ASP A 50 2.138 -13.838 1.040 1.00 0.00 C ATOM 593 CG ASP A 50 3.653 -14.007 1.092 1.00 0.00 C ATOM 594 OD1 ASP A 50 4.143 -14.850 1.871 1.00 0.00 O ATOM 595 OD2 ASP A 50 4.376 -13.337 0.355 1.00 0.00 O ATOM 0 H ASP A 50 -0.325 -13.312 1.390 1.00 0.00 H new ATOM 0 HA ASP A 50 2.093 -13.011 3.009 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.665 -14.802 1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.848 -13.531 0.035 1.00 0.00 H new ATOM 600 N LEU A 51 1.242 -10.438 2.172 1.00 0.00 N ATOM 601 CA LEU A 51 1.492 -9.064 1.944 1.00 0.00 C ATOM 602 C LEU A 51 1.574 -8.387 3.308 1.00 0.00 C ATOM 603 O LEU A 51 0.560 -8.219 3.975 1.00 0.00 O ATOM 604 CB LEU A 51 0.376 -8.452 1.043 1.00 0.00 C ATOM 605 CG LEU A 51 0.549 -6.998 0.525 1.00 0.00 C ATOM 606 CD1 LEU A 51 -0.481 -6.676 -0.506 1.00 0.00 C ATOM 607 CD2 LEU A 51 0.448 -5.975 1.614 1.00 0.00 C ATOM 0 H LEU A 51 0.465 -10.620 2.808 1.00 0.00 H new ATOM 0 HA LEU A 51 2.430 -8.913 1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.260 -9.101 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.560 -8.495 1.601 1.00 0.00 H new ATOM 0 HG LEU A 51 1.551 -6.955 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.340 -5.653 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.381 -7.362 -1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.475 -6.778 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.577 -4.979 1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.531 -6.044 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.224 -6.157 2.357 1.00 0.00 H new ATOM 619 N PRO A 52 2.796 -8.149 3.800 1.00 0.00 N ATOM 620 CA PRO A 52 3.031 -7.364 5.015 1.00 0.00 C ATOM 621 C PRO A 52 2.388 -6.017 4.947 1.00 0.00 C ATOM 622 O PRO A 52 2.635 -5.264 4.008 1.00 0.00 O ATOM 623 CB PRO A 52 4.506 -7.154 4.979 1.00 0.00 C ATOM 624 CG PRO A 52 5.014 -8.386 4.383 1.00 0.00 C ATOM 625 CD PRO A 52 4.051 -8.704 3.285 1.00 0.00 C ATOM 0 HA PRO A 52 2.638 -7.863 5.901 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.772 -6.281 4.383 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.913 -6.994 5.978 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.024 -8.251 3.996 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.058 -9.191 5.116 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.343 -8.242 2.342 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.978 -9.777 3.106 1.00 0.00 H new ATOM 633 N ILE A 53 1.663 -5.698 5.966 1.00 0.00 N ATOM 634 CA ILE A 53 0.895 -4.483 6.030 1.00 0.00 C ATOM 635 C ILE A 53 1.534 -3.581 7.098 1.00 0.00 C ATOM 636 O ILE A 53 1.292 -3.770 8.300 1.00 0.00 O ATOM 637 CB ILE A 53 -0.583 -4.775 6.483 1.00 0.00 C ATOM 638 CG1 ILE A 53 -1.229 -5.970 5.723 1.00 0.00 C ATOM 639 CG2 ILE A 53 -1.463 -3.527 6.358 1.00 0.00 C ATOM 640 CD1 ILE A 53 -1.535 -5.743 4.257 1.00 0.00 C ATOM 0 H ILE A 53 1.581 -6.281 6.799 1.00 0.00 H new ATOM 0 HA ILE A 53 0.884 -4.017 5.044 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.522 -5.060 7.533 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.563 -6.829 5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.157 -6.237 6.229 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.477 -3.764 6.679 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.060 -2.733 6.986 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.479 -3.196 5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.982 -6.643 3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.231 -4.911 4.155 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.613 -5.512 3.724 1.00 0.00 H new ATOM 652 N LEU A 54 2.378 -2.666 6.686 1.00 0.00 N ATOM 653 CA LEU A 54 3.008 -1.738 7.618 1.00 0.00 C ATOM 654 C LEU A 54 2.619 -0.314 7.274 1.00 0.00 C ATOM 655 O LEU A 54 2.449 0.017 6.102 1.00 0.00 O ATOM 656 CB LEU A 54 4.557 -1.859 7.634 1.00 0.00 C ATOM 657 CG LEU A 54 5.194 -3.170 8.156 1.00 0.00 C ATOM 658 CD1 LEU A 54 4.668 -3.556 9.526 1.00 0.00 C ATOM 659 CD2 LEU A 54 5.068 -4.316 7.164 1.00 0.00 C ATOM 0 H LEU A 54 2.650 -2.537 5.711 1.00 0.00 H new ATOM 0 HA LEU A 54 2.649 -2.000 8.613 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.912 -1.702 6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.947 -1.039 8.237 1.00 0.00 H new ATOM 0 HG LEU A 54 6.259 -2.966 8.266 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.143 -4.482 9.851 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.893 -2.763 10.239 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.589 -3.701 9.474 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.531 -5.210 7.581 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.014 -4.512 6.966 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.568 -4.048 6.233 1.00 0.00 H new ATOM 671 N ILE A 55 2.484 0.516 8.282 1.00 0.00 N ATOM 672 CA ILE A 55 2.105 1.899 8.106 1.00 0.00 C ATOM 673 C ILE A 55 3.298 2.799 8.424 1.00 0.00 C ATOM 674 O ILE A 55 3.832 2.796 9.542 1.00 0.00 O ATOM 675 CB ILE A 55 0.845 2.339 8.978 1.00 0.00 C ATOM 676 CG1 ILE A 55 -0.461 1.605 8.559 1.00 0.00 C ATOM 677 CG2 ILE A 55 0.625 3.850 8.916 1.00 0.00 C ATOM 678 CD1 ILE A 55 -0.550 0.150 8.984 1.00 0.00 C ATOM 0 H ILE A 55 2.635 0.249 9.255 1.00 0.00 H new ATOM 0 HA ILE A 55 1.805 2.009 7.064 1.00 0.00 H new ATOM 0 HB ILE A 55 1.076 2.051 10.003 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.311 2.142 8.979 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.556 1.656 7.474 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.242 4.117 9.521 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.507 4.362 9.300 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.452 4.150 7.883 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.496 -0.271 8.645 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.275 -0.409 8.543 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.493 0.084 10.070 1.00 0.00 H new ATOM 690 N ARG A 56 3.726 3.519 7.435 1.00 0.00 N ATOM 691 CA ARG A 56 4.797 4.472 7.554 1.00 0.00 C ATOM 692 C ARG A 56 4.226 5.860 7.431 1.00 0.00 C ATOM 693 O ARG A 56 3.067 6.014 7.067 1.00 0.00 O ATOM 694 CB ARG A 56 5.878 4.272 6.509 1.00 0.00 C ATOM 695 CG ARG A 56 6.555 2.919 6.545 1.00 0.00 C ATOM 696 CD ARG A 56 7.918 2.985 5.875 1.00 0.00 C ATOM 697 NE ARG A 56 8.833 3.846 6.632 1.00 0.00 N ATOM 698 CZ ARG A 56 9.932 4.444 6.157 1.00 0.00 C ATOM 699 NH1 ARG A 56 10.405 4.140 4.957 1.00 0.00 N ATOM 700 NH2 ARG A 56 10.609 5.293 6.916 1.00 0.00 N ATOM 0 H ARG A 56 3.333 3.463 6.495 1.00 0.00 H new ATOM 0 HA ARG A 56 5.266 4.327 8.527 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.440 4.417 5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.636 5.045 6.638 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.667 2.590 7.578 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.931 2.181 6.041 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.338 1.982 5.796 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.810 3.366 4.860 1.00 0.00 H new ATOM 0 HE ARG A 56 8.610 4.004 7.615 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.930 3.443 4.383 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.244 4.603 4.607 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.293 5.492 7.865 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.446 5.747 6.551 1.00 0.00 H new ATOM 714 N GLU A 57 5.020 6.865 7.679 1.00 0.00 N ATOM 715 CA GLU A 57 4.483 8.203 7.742 1.00 0.00 C ATOM 716 C GLU A 57 5.131 9.225 6.803 1.00 0.00 C ATOM 717 O GLU A 57 6.259 9.054 6.326 1.00 0.00 O ATOM 718 CB GLU A 57 4.502 8.720 9.177 1.00 0.00 C ATOM 719 CG GLU A 57 3.668 7.890 10.137 1.00 0.00 C ATOM 720 CD GLU A 57 3.666 8.454 11.515 1.00 0.00 C ATOM 721 OE1 GLU A 57 4.599 8.174 12.295 1.00 0.00 O ATOM 722 OE2 GLU A 57 2.748 9.213 11.852 1.00 0.00 O ATOM 0 H GLU A 57 6.025 6.790 7.839 1.00 0.00 H new ATOM 0 HA GLU A 57 3.459 8.103 7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.532 8.743 9.532 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.138 9.747 9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.644 7.832 9.769 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.055 6.871 10.164 1.00 0.00 H new ATOM 729 N CYS A 58 4.317 10.233 6.513 1.00 0.00 N ATOM 730 CA CYS A 58 4.609 11.494 5.800 1.00 0.00 C ATOM 731 C CYS A 58 5.624 11.419 4.638 1.00 0.00 C ATOM 732 O CYS A 58 5.225 11.224 3.486 1.00 0.00 O ATOM 733 CB CYS A 58 4.939 12.624 6.787 1.00 0.00 C ATOM 734 SG CYS A 58 3.573 13.145 7.939 1.00 0.00 S ATOM 0 H CYS A 58 3.337 10.195 6.794 1.00 0.00 H new ATOM 0 HA CYS A 58 3.677 11.724 5.285 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.793 12.313 7.389 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.254 13.496 6.214 1.00 0.00 H new ATOM 739 N SER A 59 6.918 11.553 4.950 1.00 0.00 N ATOM 740 CA SER A 59 8.038 11.528 3.993 1.00 0.00 C ATOM 741 C SER A 59 8.160 12.802 3.120 1.00 0.00 C ATOM 742 O SER A 59 9.102 13.566 3.291 1.00 0.00 O ATOM 743 CB SER A 59 8.012 10.268 3.144 1.00 0.00 C ATOM 744 OG SER A 59 7.849 9.143 3.975 1.00 0.00 O ATOM 0 H SER A 59 7.229 11.687 5.912 1.00 0.00 H new ATOM 0 HA SER A 59 8.941 11.515 4.604 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.197 10.321 2.422 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.938 10.181 2.575 1.00 0.00 H new ATOM 0 HG SER A 59 6.971 9.181 4.408 1.00 0.00 H new ATOM 750 N ASP A 60 7.220 13.037 2.202 1.00 0.00 N ATOM 751 CA ASP A 60 7.335 14.175 1.293 1.00 0.00 C ATOM 752 C ASP A 60 5.972 14.693 0.929 1.00 0.00 C ATOM 753 O ASP A 60 5.498 15.662 1.521 1.00 0.00 O ATOM 754 CB ASP A 60 8.207 13.851 0.041 1.00 0.00 C ATOM 755 CG ASP A 60 7.961 12.473 -0.566 1.00 0.00 C ATOM 756 OD1 ASP A 60 6.790 12.024 -0.650 1.00 0.00 O ATOM 757 OD2 ASP A 60 8.931 11.821 -0.981 1.00 0.00 O ATOM 0 H ASP A 60 6.386 12.465 2.070 1.00 0.00 H new ATOM 0 HA ASP A 60 7.864 14.971 1.817 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.020 14.608 -0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.259 13.929 0.317 1.00 0.00 H new ATOM 762 N VAL A 61 5.333 14.058 -0.019 1.00 0.00 N ATOM 763 CA VAL A 61 3.976 14.339 -0.303 1.00 0.00 C ATOM 764 C VAL A 61 3.115 13.539 0.662 1.00 0.00 C ATOM 765 O VAL A 61 2.969 13.949 1.799 1.00 0.00 O ATOM 766 CB VAL A 61 3.564 14.171 -1.811 1.00 0.00 C ATOM 767 CG1 VAL A 61 4.151 15.297 -2.637 1.00 0.00 C ATOM 768 CG2 VAL A 61 4.028 12.839 -2.390 1.00 0.00 C ATOM 0 H VAL A 61 5.750 13.336 -0.607 1.00 0.00 H new ATOM 0 HA VAL A 61 3.808 15.404 -0.144 1.00 0.00 H new ATOM 0 HB VAL A 61 2.475 14.198 -1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.861 15.173 -3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.777 16.252 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.238 15.278 -2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.720 12.769 -3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.114 12.773 -2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.582 12.021 -1.824 1.00 0.00 H new ATOM 778 N GLN A 62 2.679 12.346 0.302 1.00 0.00 N ATOM 779 CA GLN A 62 1.859 11.618 1.237 1.00 0.00 C ATOM 780 C GLN A 62 1.713 10.100 0.985 1.00 0.00 C ATOM 781 O GLN A 62 2.496 9.338 1.544 1.00 0.00 O ATOM 782 CB GLN A 62 0.533 12.314 1.577 1.00 0.00 C ATOM 783 CG GLN A 62 -0.157 11.703 2.761 1.00 0.00 C ATOM 784 CD GLN A 62 -1.067 12.674 3.415 1.00 0.00 C ATOM 785 OE1 GLN A 62 -0.632 13.421 4.265 1.00 0.00 O ATOM 786 NE2 GLN A 62 -2.313 12.663 3.077 1.00 0.00 N ATOM 0 H GLN A 62 2.869 11.883 -0.587 1.00 0.00 H new ATOM 0 HA GLN A 62 2.458 11.654 2.147 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.722 13.369 1.777 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.129 12.267 0.712 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.724 10.828 2.443 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.586 11.357 3.479 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.640 12.019 2.357 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.970 13.298 3.530 1.00 0.00 H new ATOM 795 N PRO A 63 0.804 9.630 0.096 1.00 0.00 N ATOM 796 CA PRO A 63 0.493 8.217 -0.003 1.00 0.00 C ATOM 797 C PRO A 63 1.393 7.454 -0.956 1.00 0.00 C ATOM 798 O PRO A 63 1.058 7.268 -2.101 1.00 0.00 O ATOM 799 CB PRO A 63 -0.940 8.211 -0.525 1.00 0.00 C ATOM 800 CG PRO A 63 -1.097 9.494 -1.283 1.00 0.00 C ATOM 801 CD PRO A 63 0.056 10.397 -0.922 1.00 0.00 C ATOM 0 HA PRO A 63 0.633 7.720 0.957 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.119 7.350 -1.169 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.656 8.150 0.295 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.109 9.303 -2.356 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.045 9.970 -1.033 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.676 10.619 -1.790 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.293 11.351 -0.527 1.00 0.00 H new ATOM 809 N LYS A 64 2.545 7.071 -0.498 1.00 0.00 N ATOM 810 CA LYS A 64 3.462 6.273 -1.320 1.00 0.00 C ATOM 811 C LYS A 64 3.366 4.831 -0.909 1.00 0.00 C ATOM 812 O LYS A 64 3.014 4.525 0.239 1.00 0.00 O ATOM 813 CB LYS A 64 4.922 6.708 -1.164 1.00 0.00 C ATOM 814 CG LYS A 64 5.316 8.068 -1.716 1.00 0.00 C ATOM 815 CD LYS A 64 4.737 9.220 -0.937 1.00 0.00 C ATOM 816 CE LYS A 64 5.358 9.312 0.412 1.00 0.00 C ATOM 817 NZ LYS A 64 5.182 10.641 0.952 1.00 0.00 N ATOM 0 H LYS A 64 2.891 7.287 0.437 1.00 0.00 H new ATOM 0 HA LYS A 64 3.168 6.420 -2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.165 6.694 -0.101 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.549 5.957 -1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.403 8.150 -1.718 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.989 8.140 -2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.899 10.151 -1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.659 9.092 -0.838 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.907 8.578 1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.420 9.075 0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.166 10.594 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.969 11.248 0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.284 11.039 0.609 1.00 0.00 H new ATOM 831 N LEU A 65 3.710 3.967 -1.818 1.00 0.00 N ATOM 832 CA LEU A 65 3.622 2.555 -1.610 1.00 0.00 C ATOM 833 C LEU A 65 4.975 1.981 -1.510 1.00 0.00 C ATOM 834 O LEU A 65 5.662 1.898 -2.514 1.00 0.00 O ATOM 835 CB LEU A 65 2.988 1.945 -2.826 1.00 0.00 C ATOM 836 CG LEU A 65 2.531 0.479 -2.724 1.00 0.00 C ATOM 837 CD1 LEU A 65 1.650 0.251 -1.504 1.00 0.00 C ATOM 838 CD2 LEU A 65 1.804 0.078 -3.995 1.00 0.00 C ATOM 0 H LEU A 65 4.065 4.229 -2.738 1.00 0.00 H new ATOM 0 HA LEU A 65 3.052 2.359 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.122 2.550 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.697 2.021 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 65 3.415 -0.147 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.346 -0.795 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.207 0.501 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.765 0.883 -1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.482 -0.961 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.933 0.718 -4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.474 0.188 -4.848 1.00 0.00 H new ATOM 850 N TRP A 66 5.399 1.631 -0.356 1.00 0.00 N ATOM 851 CA TRP A 66 6.636 0.950 -0.285 1.00 0.00 C ATOM 852 C TRP A 66 6.368 -0.532 -0.447 1.00 0.00 C ATOM 853 O TRP A 66 5.549 -1.098 0.267 1.00 0.00 O ATOM 854 CB TRP A 66 7.433 1.208 1.025 1.00 0.00 C ATOM 855 CG TRP A 66 8.594 0.244 1.188 1.00 0.00 C ATOM 856 CD1 TRP A 66 8.631 -0.919 1.931 1.00 0.00 C ATOM 857 CD2 TRP A 66 9.836 0.329 0.532 1.00 0.00 C ATOM 858 NE1 TRP A 66 9.841 -1.548 1.768 1.00 0.00 N ATOM 859 CE2 TRP A 66 10.601 -0.790 0.904 1.00 0.00 C ATOM 860 CE3 TRP A 66 10.377 1.251 -0.336 1.00 0.00 C ATOM 861 CZ2 TRP A 66 11.878 -0.988 0.410 1.00 0.00 C ATOM 862 CZ3 TRP A 66 11.625 1.047 -0.822 1.00 0.00 C ATOM 863 CH2 TRP A 66 12.363 -0.049 -0.460 1.00 0.00 C ATOM 0 H TRP A 66 4.925 1.798 0.532 1.00 0.00 H new ATOM 0 HA TRP A 66 7.266 1.337 -1.086 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.810 2.231 1.024 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.763 1.116 1.880 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.825 -1.282 2.551 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.127 -2.422 2.209 1.00 0.00 H new ATOM 0 HE3 TRP A 66 9.814 2.126 -0.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.467 -1.846 0.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 12.047 1.764 -1.510 1.00 0.00 H new ATOM 0 HH2 TRP A 66 13.353 -0.175 -0.872 1.00 0.00 H new ATOM 874 N ALA A 67 7.048 -1.119 -1.358 1.00 0.00 N ATOM 875 CA ALA A 67 6.972 -2.500 -1.621 1.00 0.00 C ATOM 876 C ALA A 67 8.374 -3.039 -1.731 1.00 0.00 C ATOM 877 O ALA A 67 9.246 -2.380 -2.286 1.00 0.00 O ATOM 878 CB ALA A 67 6.229 -2.753 -2.920 1.00 0.00 C ATOM 0 H ALA A 67 7.701 -0.625 -1.966 1.00 0.00 H new ATOM 0 HA ALA A 67 6.433 -2.996 -0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.180 -3.826 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.219 -2.351 -2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.754 -2.265 -3.741 1.00 0.00 H new ATOM 884 N ARG A 68 8.616 -4.178 -1.181 1.00 0.00 N ATOM 885 CA ARG A 68 9.849 -4.838 -1.361 1.00 0.00 C ATOM 886 C ARG A 68 9.464 -6.262 -1.556 1.00 0.00 C ATOM 887 O ARG A 68 9.084 -6.970 -0.635 1.00 0.00 O ATOM 888 CB ARG A 68 10.778 -4.685 -0.175 1.00 0.00 C ATOM 889 CG ARG A 68 12.214 -5.059 -0.458 1.00 0.00 C ATOM 890 CD ARG A 68 13.055 -3.832 -0.791 1.00 0.00 C ATOM 891 NE ARG A 68 14.451 -4.172 -1.042 1.00 0.00 N ATOM 892 CZ ARG A 68 15.489 -3.689 -0.349 1.00 0.00 C ATOM 893 NH1 ARG A 68 15.280 -2.933 0.735 1.00 0.00 N ATOM 894 NH2 ARG A 68 16.734 -4.000 -0.706 1.00 0.00 N ATOM 0 H ARG A 68 7.953 -4.677 -0.589 1.00 0.00 H new ATOM 0 HA ARG A 68 10.408 -4.421 -2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.745 -3.650 0.167 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.408 -5.303 0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.637 -5.567 0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.251 -5.763 -1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.640 -3.337 -1.669 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.999 -3.121 0.033 1.00 0.00 H new ATOM 0 HE ARG A 68 14.650 -4.825 -1.800 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.328 -2.724 1.035 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.073 -2.566 1.261 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.898 -4.607 -1.509 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.524 -3.631 -0.176 1.00 0.00 H new ATOM 908 N TYR A 69 9.392 -6.597 -2.755 1.00 0.00 N ATOM 909 CA TYR A 69 8.955 -7.913 -3.192 1.00 0.00 C ATOM 910 C TYR A 69 10.065 -8.951 -2.935 1.00 0.00 C ATOM 911 O TYR A 69 11.221 -8.591 -2.763 1.00 0.00 O ATOM 912 CB TYR A 69 8.699 -7.882 -4.697 1.00 0.00 C ATOM 913 CG TYR A 69 7.882 -6.717 -5.198 1.00 0.00 C ATOM 914 CD1 TYR A 69 6.541 -6.652 -4.971 1.00 0.00 C ATOM 915 CD2 TYR A 69 8.471 -5.693 -5.926 1.00 0.00 C ATOM 916 CE1 TYR A 69 5.786 -5.606 -5.443 1.00 0.00 C ATOM 917 CE2 TYR A 69 7.727 -4.642 -6.413 1.00 0.00 C ATOM 918 CZ TYR A 69 6.379 -4.602 -6.166 1.00 0.00 C ATOM 919 OH TYR A 69 5.621 -3.568 -6.659 1.00 0.00 O ATOM 0 H TYR A 69 9.635 -5.971 -3.523 1.00 0.00 H new ATOM 0 HA TYR A 69 8.052 -8.180 -2.643 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.661 -7.875 -5.210 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.193 -8.805 -4.980 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.061 -7.439 -4.408 1.00 0.00 H new ATOM 0 HD2 TYR A 69 9.534 -5.721 -6.114 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.725 -5.574 -5.245 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.200 -3.857 -6.984 1.00 0.00 H new ATOM 0 HH TYR A 69 6.176 -2.764 -6.737 1.00 0.00 H new ATOM 929 N ALA A 70 9.715 -10.235 -2.999 1.00 0.00 N ATOM 930 CA ALA A 70 10.690 -11.337 -2.827 1.00 0.00 C ATOM 931 C ALA A 70 11.270 -11.704 -4.164 1.00 0.00 C ATOM 932 O ALA A 70 12.096 -12.605 -4.292 1.00 0.00 O ATOM 933 CB ALA A 70 10.075 -12.538 -2.126 1.00 0.00 C ATOM 0 H ALA A 70 8.760 -10.550 -3.169 1.00 0.00 H new ATOM 0 HA ALA A 70 11.495 -10.992 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.825 -13.322 -2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.720 -12.241 -1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.238 -12.914 -2.715 1.00 0.00 H new ATOM 939 N PHE A 71 10.816 -10.991 -5.165 1.00 0.00 N ATOM 940 CA PHE A 71 11.478 -10.980 -6.441 1.00 0.00 C ATOM 941 C PHE A 71 12.776 -10.216 -6.223 1.00 0.00 C ATOM 942 O PHE A 71 13.757 -10.369 -6.955 1.00 0.00 O ATOM 943 CB PHE A 71 10.610 -10.259 -7.470 1.00 0.00 C ATOM 944 CG PHE A 71 11.227 -10.130 -8.831 1.00 0.00 C ATOM 945 CD1 PHE A 71 11.349 -11.228 -9.658 1.00 0.00 C ATOM 946 CD2 PHE A 71 11.699 -8.905 -9.275 1.00 0.00 C ATOM 947 CE1 PHE A 71 11.924 -11.110 -10.903 1.00 0.00 C ATOM 948 CE2 PHE A 71 12.276 -8.781 -10.518 1.00 0.00 C ATOM 949 CZ PHE A 71 12.391 -9.884 -11.332 1.00 0.00 C ATOM 0 H PHE A 71 9.982 -10.406 -5.117 1.00 0.00 H new ATOM 0 HA PHE A 71 11.662 -11.988 -6.813 1.00 0.00 H new ATOM 0 HB2 PHE A 71 9.664 -10.792 -7.564 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.378 -9.262 -7.095 1.00 0.00 H new ATOM 0 HD1 PHE A 71 10.989 -12.190 -9.325 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.613 -8.037 -8.638 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.010 -11.975 -11.543 1.00 0.00 H new ATOM 0 HE2 PHE A 71 12.638 -7.820 -10.854 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.847 -9.791 -12.307 1.00 0.00 H new ATOM 959 N GLY A 72 12.759 -9.421 -5.155 1.00 0.00 N ATOM 960 CA GLY A 72 13.868 -8.643 -4.774 1.00 0.00 C ATOM 961 C GLY A 72 13.942 -7.393 -5.597 1.00 0.00 C ATOM 962 O GLY A 72 14.971 -7.061 -6.192 1.00 0.00 O ATOM 0 H GLY A 72 11.950 -9.319 -4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.793 -8.386 -3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.784 -9.221 -4.897 1.00 0.00 H new ATOM 966 N GLN A 73 12.822 -6.729 -5.639 1.00 0.00 N ATOM 967 CA GLN A 73 12.625 -5.486 -6.336 1.00 0.00 C ATOM 968 C GLN A 73 11.946 -4.570 -5.349 1.00 0.00 C ATOM 969 O GLN A 73 11.093 -5.041 -4.556 1.00 0.00 O ATOM 970 CB GLN A 73 11.721 -5.718 -7.577 1.00 0.00 C ATOM 971 CG GLN A 73 11.304 -4.458 -8.343 1.00 0.00 C ATOM 972 CD GLN A 73 10.441 -4.770 -9.563 1.00 0.00 C ATOM 973 OE1 GLN A 73 10.431 -4.029 -10.556 1.00 0.00 O ATOM 974 NE2 GLN A 73 9.719 -5.860 -9.508 1.00 0.00 N ATOM 0 H GLN A 73 11.979 -7.054 -5.165 1.00 0.00 H new ATOM 0 HA GLN A 73 13.563 -5.061 -6.692 1.00 0.00 H new ATOM 0 HB2 GLN A 73 12.244 -6.382 -8.265 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.820 -6.239 -7.254 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.754 -3.796 -7.674 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.196 -3.920 -8.662 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.749 -6.450 -8.676 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.127 -6.120 -10.297 1.00 0.00 H new ATOM 983 N GLU A 74 12.318 -3.321 -5.327 1.00 0.00 N ATOM 984 CA GLU A 74 11.681 -2.422 -4.418 1.00 0.00 C ATOM 985 C GLU A 74 10.717 -1.519 -5.156 1.00 0.00 C ATOM 986 O GLU A 74 10.709 -1.458 -6.393 1.00 0.00 O ATOM 987 CB GLU A 74 12.670 -1.609 -3.545 1.00 0.00 C ATOM 988 CG GLU A 74 13.410 -0.457 -4.217 1.00 0.00 C ATOM 989 CD GLU A 74 14.358 -0.872 -5.297 1.00 0.00 C ATOM 990 OE1 GLU A 74 15.439 -1.382 -4.984 1.00 0.00 O ATOM 991 OE2 GLU A 74 14.053 -0.662 -6.476 1.00 0.00 O ATOM 0 H GLU A 74 13.044 -2.912 -5.916 1.00 0.00 H new ATOM 0 HA GLU A 74 11.121 -3.039 -3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.118 -1.206 -2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.412 -2.299 -3.144 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.678 0.231 -4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.964 0.094 -3.457 1.00 0.00 H new ATOM 998 N THR A 75 9.909 -0.864 -4.419 1.00 0.00 N ATOM 999 CA THR A 75 8.923 0.008 -4.902 1.00 0.00 C ATOM 1000 C THR A 75 8.596 0.962 -3.793 1.00 0.00 C ATOM 1001 O THR A 75 8.550 0.576 -2.661 1.00 0.00 O ATOM 1002 CB THR A 75 7.694 -0.819 -5.361 1.00 0.00 C ATOM 1003 OG1 THR A 75 7.946 -1.405 -6.649 1.00 0.00 O ATOM 1004 CG2 THR A 75 6.381 -0.049 -5.338 1.00 0.00 C ATOM 0 H THR A 75 9.921 -0.928 -3.401 1.00 0.00 H new ATOM 0 HA THR A 75 9.261 0.578 -5.768 1.00 0.00 H new ATOM 0 HB THR A 75 7.562 -1.613 -4.626 1.00 0.00 H new ATOM 0 HG1 THR A 75 8.912 -1.443 -6.808 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.572 -0.699 -5.673 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.176 0.291 -4.323 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.453 0.813 -6.002 1.00 0.00 H new ATOM 1012 N ASN A 76 8.538 2.191 -4.108 1.00 0.00 N ATOM 1013 CA ASN A 76 8.192 3.217 -3.167 1.00 0.00 C ATOM 1014 C ASN A 76 7.427 4.306 -3.897 1.00 0.00 C ATOM 1015 O ASN A 76 8.037 5.233 -4.448 1.00 0.00 O ATOM 1016 CB ASN A 76 9.456 3.736 -2.406 1.00 0.00 C ATOM 1017 CG ASN A 76 10.707 3.932 -3.279 1.00 0.00 C ATOM 1018 OD1 ASN A 76 10.896 4.985 -3.874 1.00 0.00 O ATOM 1019 ND2 ASN A 76 11.626 2.951 -3.277 1.00 0.00 N ATOM 0 H ASN A 76 8.732 2.540 -5.047 1.00 0.00 H new ATOM 0 HA ASN A 76 7.540 2.818 -2.390 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.211 4.686 -1.931 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.695 3.033 -1.608 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.505 3.075 -3.779 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.444 2.083 -2.773 1.00 0.00 H new ATOM 1026 N VAL A 77 6.072 4.197 -3.961 1.00 0.00 N ATOM 1027 CA VAL A 77 5.371 5.136 -4.892 1.00 0.00 C ATOM 1028 C VAL A 77 3.940 5.574 -4.606 1.00 0.00 C ATOM 1029 O VAL A 77 3.089 4.778 -4.280 1.00 0.00 O ATOM 1030 CB VAL A 77 5.534 4.649 -6.321 1.00 0.00 C ATOM 1031 CG1 VAL A 77 5.110 3.192 -6.481 1.00 0.00 C ATOM 1032 CG2 VAL A 77 4.902 5.534 -7.398 1.00 0.00 C ATOM 0 H VAL A 77 5.489 3.542 -3.440 1.00 0.00 H new ATOM 0 HA VAL A 77 5.889 6.077 -4.705 1.00 0.00 H new ATOM 0 HB VAL A 77 6.607 4.724 -6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.243 2.886 -7.519 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.722 2.562 -5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.061 3.086 -6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.078 5.094 -8.380 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.829 5.612 -7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.349 6.528 -7.361 1.00 0.00 H new ATOM 1042 N PRO A 78 3.718 6.904 -4.740 1.00 0.00 N ATOM 1043 CA PRO A 78 2.425 7.575 -4.609 1.00 0.00 C ATOM 1044 C PRO A 78 1.308 6.849 -5.323 1.00 0.00 C ATOM 1045 O PRO A 78 1.267 6.744 -6.557 1.00 0.00 O ATOM 1046 CB PRO A 78 2.680 8.945 -5.221 1.00 0.00 C ATOM 1047 CG PRO A 78 4.106 9.197 -4.906 1.00 0.00 C ATOM 1048 CD PRO A 78 4.776 7.859 -5.043 1.00 0.00 C ATOM 0 HA PRO A 78 2.089 7.617 -3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.499 8.946 -6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.031 9.706 -4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.538 9.927 -5.590 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.223 9.596 -3.898 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.172 7.711 -6.048 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.614 7.759 -4.353 1.00 0.00 H new ATOM 1056 N LEU A 79 0.420 6.361 -4.526 1.00 0.00 N ATOM 1057 CA LEU A 79 -0.683 5.571 -4.945 1.00 0.00 C ATOM 1058 C LEU A 79 -2.000 6.356 -4.818 1.00 0.00 C ATOM 1059 O LEU A 79 -3.098 5.805 -4.883 1.00 0.00 O ATOM 1060 CB LEU A 79 -0.646 4.233 -4.160 1.00 0.00 C ATOM 1061 CG LEU A 79 -0.532 4.244 -2.607 1.00 0.00 C ATOM 1062 CD1 LEU A 79 -1.648 4.976 -1.938 1.00 0.00 C ATOM 1063 CD2 LEU A 79 -0.512 2.831 -2.097 1.00 0.00 C ATOM 0 H LEU A 79 0.446 6.510 -3.517 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.617 5.326 -6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.552 3.683 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.196 3.656 -4.543 1.00 0.00 H new ATOM 0 HG LEU A 79 0.393 4.768 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.507 4.945 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.656 6.013 -2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.597 4.505 -2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.432 2.838 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.432 2.325 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.343 2.303 -2.520 1.00 0.00 H new ATOM 1075 N ASN A 80 -1.835 7.668 -4.700 1.00 0.00 N ATOM 1076 CA ASN A 80 -2.923 8.668 -4.544 1.00 0.00 C ATOM 1077 C ASN A 80 -4.063 8.543 -5.549 1.00 0.00 C ATOM 1078 O ASN A 80 -5.234 8.761 -5.218 1.00 0.00 O ATOM 1079 CB ASN A 80 -2.332 10.094 -4.571 1.00 0.00 C ATOM 1080 CG ASN A 80 -3.351 11.193 -4.888 1.00 0.00 C ATOM 1081 OD1 ASN A 80 -3.553 11.553 -6.054 1.00 0.00 O ATOM 1082 ND2 ASN A 80 -3.994 11.711 -3.894 1.00 0.00 N ATOM 0 H ASN A 80 -0.910 8.097 -4.709 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.378 8.459 -3.576 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.877 10.305 -3.603 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.534 10.130 -5.313 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.690 12.438 -4.060 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.805 11.393 -2.943 1.00 0.00 H new ATOM 1089 N ASN A 81 -3.738 8.167 -6.726 1.00 0.00 N ATOM 1090 CA ASN A 81 -4.718 8.122 -7.819 1.00 0.00 C ATOM 1091 C ASN A 81 -5.611 6.888 -7.809 1.00 0.00 C ATOM 1092 O ASN A 81 -6.482 6.741 -8.678 1.00 0.00 O ATOM 1093 CB ASN A 81 -4.064 8.304 -9.195 1.00 0.00 C ATOM 1094 CG ASN A 81 -3.568 9.717 -9.428 1.00 0.00 C ATOM 1095 OD1 ASN A 81 -4.297 10.572 -9.917 1.00 0.00 O ATOM 1096 ND2 ASN A 81 -2.337 9.980 -9.092 1.00 0.00 N ATOM 0 H ASN A 81 -2.797 7.876 -6.991 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.372 8.974 -7.631 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.228 7.610 -9.290 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.784 8.044 -9.971 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.959 10.916 -9.234 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.752 9.249 -8.687 1.00 0.00 H new ATOM 1103 N PHE A 82 -5.446 6.024 -6.837 1.00 0.00 N ATOM 1104 CA PHE A 82 -6.242 4.836 -6.770 1.00 0.00 C ATOM 1105 C PHE A 82 -7.073 4.836 -5.504 1.00 0.00 C ATOM 1106 O PHE A 82 -6.671 5.376 -4.460 1.00 0.00 O ATOM 1107 CB PHE A 82 -5.380 3.567 -6.857 1.00 0.00 C ATOM 1108 CG PHE A 82 -4.440 3.516 -8.030 1.00 0.00 C ATOM 1109 CD1 PHE A 82 -4.872 3.068 -9.264 1.00 0.00 C ATOM 1110 CD2 PHE A 82 -3.117 3.908 -7.891 1.00 0.00 C ATOM 1111 CE1 PHE A 82 -4.007 3.011 -10.338 1.00 0.00 C ATOM 1112 CE2 PHE A 82 -2.246 3.856 -8.960 1.00 0.00 C ATOM 1113 CZ PHE A 82 -2.692 3.408 -10.186 1.00 0.00 C ATOM 0 H PHE A 82 -4.766 6.127 -6.084 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.910 4.831 -7.631 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.798 3.478 -5.940 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.040 2.700 -6.901 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.899 2.759 -9.389 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.763 4.259 -6.933 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.357 2.657 -11.296 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.218 4.165 -8.837 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.014 3.368 -11.026 1.00 0.00 H new ATOM 1123 N SER A 83 -8.243 4.311 -5.648 1.00 0.00 N ATOM 1124 CA SER A 83 -9.195 4.131 -4.580 1.00 0.00 C ATOM 1125 C SER A 83 -8.834 2.889 -3.724 1.00 0.00 C ATOM 1126 O SER A 83 -7.843 2.224 -4.010 1.00 0.00 O ATOM 1127 CB SER A 83 -10.557 3.982 -5.219 1.00 0.00 C ATOM 1128 OG SER A 83 -10.874 5.132 -6.002 1.00 0.00 O ATOM 0 H SER A 83 -8.586 3.978 -6.549 1.00 0.00 H new ATOM 0 HA SER A 83 -9.186 4.987 -3.905 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.574 3.092 -5.848 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.313 3.842 -4.447 1.00 0.00 H new ATOM 0 HG SER A 83 -11.758 5.017 -6.409 1.00 0.00 H new ATOM 1134 N ALA A 84 -9.670 2.573 -2.720 1.00 0.00 N ATOM 1135 CA ALA A 84 -9.413 1.507 -1.734 1.00 0.00 C ATOM 1136 C ALA A 84 -9.086 0.156 -2.380 1.00 0.00 C ATOM 1137 O ALA A 84 -8.000 -0.416 -2.200 1.00 0.00 O ATOM 1138 CB ALA A 84 -10.638 1.313 -0.872 1.00 0.00 C ATOM 0 H ALA A 84 -10.555 3.057 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.549 1.828 -1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.449 0.525 -0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.867 2.242 -0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.484 1.031 -1.499 1.00 0.00 H new ATOM 1144 N ASP A 85 -10.032 -0.332 -3.148 1.00 0.00 N ATOM 1145 CA ASP A 85 -9.940 -1.649 -3.773 1.00 0.00 C ATOM 1146 C ASP A 85 -8.886 -1.629 -4.819 1.00 0.00 C ATOM 1147 O ASP A 85 -8.122 -2.570 -4.981 1.00 0.00 O ATOM 1148 CB ASP A 85 -11.245 -1.979 -4.420 1.00 0.00 C ATOM 1149 CG ASP A 85 -11.309 -3.385 -4.967 1.00 0.00 C ATOM 1150 OD1 ASP A 85 -11.080 -4.353 -4.211 1.00 0.00 O ATOM 1151 OD2 ASP A 85 -11.658 -3.545 -6.154 1.00 0.00 O ATOM 0 H ASP A 85 -10.894 0.168 -3.363 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.697 -2.392 -3.013 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.046 -1.844 -3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.428 -1.274 -5.231 1.00 0.00 H new ATOM 1156 N GLN A 86 -8.878 -0.549 -5.533 1.00 0.00 N ATOM 1157 CA GLN A 86 -7.864 -0.295 -6.552 1.00 0.00 C ATOM 1158 C GLN A 86 -6.483 -0.410 -6.027 1.00 0.00 C ATOM 1159 O GLN A 86 -5.721 -1.172 -6.581 1.00 0.00 O ATOM 1160 CB GLN A 86 -8.071 1.015 -7.296 1.00 0.00 C ATOM 1161 CG GLN A 86 -9.199 0.974 -8.292 1.00 0.00 C ATOM 1162 CD GLN A 86 -9.027 -0.189 -9.234 1.00 0.00 C ATOM 1163 OE1 GLN A 86 -9.557 -1.274 -9.007 1.00 0.00 O ATOM 1164 NE2 GLN A 86 -8.246 -0.005 -10.237 1.00 0.00 N ATOM 0 H GLN A 86 -9.569 0.195 -5.439 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.996 -1.090 -7.286 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.266 1.807 -6.572 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -7.149 1.277 -7.815 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.151 0.888 -7.769 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.228 1.906 -8.856 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.824 0.910 -10.394 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -8.048 -0.774 -10.877 1.00 0.00 H new ATOM 1173 N VAL A 87 -6.152 0.296 -4.966 1.00 0.00 N ATOM 1174 CA VAL A 87 -4.837 0.145 -4.409 1.00 0.00 C ATOM 1175 C VAL A 87 -4.620 -1.291 -3.956 1.00 0.00 C ATOM 1176 O VAL A 87 -3.629 -1.874 -4.296 1.00 0.00 O ATOM 1177 CB VAL A 87 -4.455 1.170 -3.282 1.00 0.00 C ATOM 1178 CG1 VAL A 87 -4.341 2.568 -3.809 1.00 0.00 C ATOM 1179 CG2 VAL A 87 -5.435 1.168 -2.186 1.00 0.00 C ATOM 0 H VAL A 87 -6.760 0.961 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.151 0.386 -5.221 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.485 0.845 -2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.075 3.243 -2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.569 2.605 -4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.295 2.874 -4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.134 1.890 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.417 1.438 -2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.482 0.174 -1.742 1.00 0.00 H new ATOM 1189 N THR A 88 -5.600 -1.905 -3.304 1.00 0.00 N ATOM 1190 CA THR A 88 -5.389 -3.256 -2.816 1.00 0.00 C ATOM 1191 C THR A 88 -5.233 -4.331 -3.884 1.00 0.00 C ATOM 1192 O THR A 88 -4.415 -5.272 -3.733 1.00 0.00 O ATOM 1193 CB THR A 88 -6.357 -3.657 -1.713 1.00 0.00 C ATOM 1194 OG1 THR A 88 -7.718 -3.458 -2.117 1.00 0.00 O ATOM 1195 CG2 THR A 88 -6.080 -2.822 -0.516 1.00 0.00 C ATOM 0 H THR A 88 -6.517 -1.504 -3.107 1.00 0.00 H new ATOM 0 HA THR A 88 -4.400 -3.200 -2.361 1.00 0.00 H new ATOM 0 HB THR A 88 -6.218 -4.715 -1.492 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.745 -3.203 -3.063 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.766 -3.096 0.286 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.054 -2.986 -0.188 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.217 -1.770 -0.767 1.00 0.00 H new ATOM 1203 N ARG A 89 -5.926 -4.189 -4.959 1.00 0.00 N ATOM 1204 CA ARG A 89 -5.835 -5.185 -5.986 1.00 0.00 C ATOM 1205 C ARG A 89 -4.725 -4.837 -6.949 1.00 0.00 C ATOM 1206 O ARG A 89 -4.149 -5.721 -7.589 1.00 0.00 O ATOM 1207 CB ARG A 89 -7.173 -5.477 -6.672 1.00 0.00 C ATOM 1208 CG ARG A 89 -7.131 -6.761 -7.485 1.00 0.00 C ATOM 1209 CD ARG A 89 -8.511 -7.281 -7.816 1.00 0.00 C ATOM 1210 NE ARG A 89 -8.432 -8.609 -8.437 1.00 0.00 N ATOM 1211 CZ ARG A 89 -8.646 -9.779 -7.791 1.00 0.00 C ATOM 1212 NH1 ARG A 89 -9.003 -9.791 -6.506 1.00 0.00 N ATOM 1213 NH2 ARG A 89 -8.475 -10.924 -8.435 1.00 0.00 N ATOM 0 H ARG A 89 -6.554 -3.410 -5.156 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.575 -6.131 -5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.957 -5.551 -5.919 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.435 -4.644 -7.324 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.581 -6.584 -8.410 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.583 -7.522 -6.929 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.112 -7.334 -6.908 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.014 -6.588 -8.491 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.199 -8.653 -9.429 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -9.117 -8.913 -6.000 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -9.162 -10.679 -6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -8.184 -10.921 -9.412 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -8.635 -11.809 -7.953 1.00 0.00 H new ATOM 1227 N ALA A 90 -4.403 -3.547 -7.055 1.00 0.00 N ATOM 1228 CA ALA A 90 -3.187 -3.151 -7.774 1.00 0.00 C ATOM 1229 C ALA A 90 -1.985 -3.673 -7.008 1.00 0.00 C ATOM 1230 O ALA A 90 -1.023 -4.119 -7.626 1.00 0.00 O ATOM 1231 CB ALA A 90 -3.084 -1.643 -7.971 1.00 0.00 C ATOM 0 H ALA A 90 -4.947 -2.777 -6.666 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.222 -3.585 -8.773 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.165 -1.408 -8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.941 -1.292 -8.546 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.072 -1.149 -6.999 1.00 0.00 H new ATOM 1237 N LEU A 91 -2.055 -3.626 -5.644 1.00 0.00 N ATOM 1238 CA LEU A 91 -1.037 -4.261 -4.801 1.00 0.00 C ATOM 1239 C LEU A 91 -0.903 -5.695 -5.188 1.00 0.00 C ATOM 1240 O LEU A 91 0.139 -6.109 -5.625 1.00 0.00 O ATOM 1241 CB LEU A 91 -1.318 -4.186 -3.257 1.00 0.00 C ATOM 1242 CG LEU A 91 -0.686 -3.014 -2.455 1.00 0.00 C ATOM 1243 CD1 LEU A 91 -1.030 -1.665 -3.021 1.00 0.00 C ATOM 1244 CD2 LEU A 91 -1.105 -3.087 -0.995 1.00 0.00 C ATOM 0 H LEU A 91 -2.800 -3.159 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.120 -3.698 -4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.398 -4.142 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.976 -5.119 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 91 0.395 -3.128 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.560 -0.887 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.668 -1.598 -4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.112 -1.530 -3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.655 -2.260 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.191 -3.021 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.770 -4.032 -0.567 1.00 0.00 H new ATOM 1256 N GLU A 92 -1.988 -6.438 -5.093 1.00 0.00 N ATOM 1257 CA GLU A 92 -1.948 -7.884 -5.386 1.00 0.00 C ATOM 1258 C GLU A 92 -1.403 -8.151 -6.779 1.00 0.00 C ATOM 1259 O GLU A 92 -0.584 -9.067 -6.957 1.00 0.00 O ATOM 1260 CB GLU A 92 -3.312 -8.538 -5.204 1.00 0.00 C ATOM 1261 CG GLU A 92 -3.328 -10.033 -5.473 1.00 0.00 C ATOM 1262 CD GLU A 92 -4.718 -10.577 -5.654 1.00 0.00 C ATOM 1263 OE1 GLU A 92 -5.406 -10.851 -4.648 1.00 0.00 O ATOM 1264 OE2 GLU A 92 -5.141 -10.766 -6.809 1.00 0.00 O ATOM 0 H GLU A 92 -2.905 -6.084 -4.820 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.268 -8.336 -4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.654 -8.360 -4.185 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.026 -8.053 -5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.741 -10.243 -6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.845 -10.552 -4.645 1.00 0.00 H new ATOM 1271 N ASN A 93 -1.845 -7.349 -7.727 1.00 0.00 N ATOM 1272 CA ASN A 93 -1.357 -7.391 -9.086 1.00 0.00 C ATOM 1273 C ASN A 93 0.157 -7.367 -9.091 1.00 0.00 C ATOM 1274 O ASN A 93 0.804 -8.403 -9.347 1.00 0.00 O ATOM 1275 CB ASN A 93 -1.905 -6.197 -9.883 1.00 0.00 C ATOM 1276 CG ASN A 93 -2.987 -6.570 -10.859 1.00 0.00 C ATOM 1277 OD1 ASN A 93 -2.705 -6.932 -12.003 1.00 0.00 O ATOM 1278 ND2 ASN A 93 -4.217 -6.465 -10.441 1.00 0.00 N ATOM 0 H ASN A 93 -2.563 -6.641 -7.570 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.700 -8.313 -9.556 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.295 -5.455 -9.187 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.085 -5.726 -10.425 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.990 -6.686 -11.069 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.407 -6.162 -9.486 1.00 0.00 H new ATOM 1285 N VAL A 94 0.718 -6.230 -8.698 1.00 0.00 N ATOM 1286 CA VAL A 94 2.157 -6.045 -8.680 1.00 0.00 C ATOM 1287 C VAL A 94 2.875 -7.001 -7.816 1.00 0.00 C ATOM 1288 O VAL A 94 3.860 -7.591 -8.234 1.00 0.00 O ATOM 1289 CB VAL A 94 2.622 -4.620 -8.305 1.00 0.00 C ATOM 1290 CG1 VAL A 94 2.389 -3.642 -9.429 1.00 0.00 C ATOM 1291 CG2 VAL A 94 1.988 -4.091 -7.024 1.00 0.00 C ATOM 0 H VAL A 94 0.188 -5.416 -8.385 1.00 0.00 H new ATOM 0 HA VAL A 94 2.418 -6.232 -9.722 1.00 0.00 H new ATOM 0 HB VAL A 94 3.693 -4.710 -8.124 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.729 -2.652 -9.126 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.944 -3.962 -10.311 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.325 -3.604 -9.664 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.360 -3.086 -6.822 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.905 -4.060 -7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.246 -4.747 -6.193 1.00 0.00 H new ATOM 1301 N LEU A 95 2.389 -7.232 -6.670 1.00 0.00 N ATOM 1302 CA LEU A 95 3.217 -7.910 -5.764 1.00 0.00 C ATOM 1303 C LEU A 95 3.123 -9.360 -5.743 1.00 0.00 C ATOM 1304 O LEU A 95 4.131 -10.021 -5.582 1.00 0.00 O ATOM 1305 CB LEU A 95 3.254 -7.268 -4.407 1.00 0.00 C ATOM 1306 CG LEU A 95 1.934 -7.085 -3.684 1.00 0.00 C ATOM 1307 CD1 LEU A 95 1.456 -8.333 -2.979 1.00 0.00 C ATOM 1308 CD2 LEU A 95 1.994 -5.908 -2.769 1.00 0.00 C ATOM 0 H LEU A 95 1.458 -6.975 -6.341 1.00 0.00 H new ATOM 0 HA LEU A 95 4.210 -7.773 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.907 -7.865 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.719 -6.288 -4.511 1.00 0.00 H new ATOM 0 HG LEU A 95 1.182 -6.885 -4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.507 -8.130 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.321 -9.133 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.195 -8.638 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.037 -5.794 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.782 -6.060 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.207 -5.009 -3.347 1.00 0.00 H new ATOM 1320 N SER A 96 1.996 -9.880 -5.901 1.00 0.00 N ATOM 1321 CA SER A 96 1.928 -11.273 -5.853 1.00 0.00 C ATOM 1322 C SER A 96 2.080 -11.835 -7.265 1.00 0.00 C ATOM 1323 O SER A 96 2.449 -13.001 -7.440 1.00 0.00 O ATOM 1324 CB SER A 96 0.638 -11.737 -5.207 1.00 0.00 C ATOM 1325 OG SER A 96 0.495 -11.186 -3.898 1.00 0.00 O ATOM 0 H SER A 96 1.119 -9.385 -6.062 1.00 0.00 H new ATOM 0 HA SER A 96 2.743 -11.649 -5.235 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.210 -11.441 -5.825 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.626 -12.825 -5.151 1.00 0.00 H new ATOM 0 HG SER A 96 1.290 -11.397 -3.366 1.00 0.00 H new ATOM 1331 N GLY A 97 1.818 -11.003 -8.287 1.00 0.00 N ATOM 1332 CA GLY A 97 1.912 -11.518 -9.603 1.00 0.00 C ATOM 1333 C GLY A 97 2.876 -10.796 -10.511 1.00 0.00 C ATOM 1334 O GLY A 97 3.249 -11.350 -11.540 1.00 0.00 O ATOM 0 H GLY A 97 1.554 -10.021 -8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.208 -12.565 -9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.922 -11.492 -10.057 1.00 0.00 H new ATOM 1338 N LYS A 98 3.287 -9.562 -10.202 1.00 0.00 N ATOM 1339 CA LYS A 98 4.116 -8.872 -11.200 1.00 0.00 C ATOM 1340 C LYS A 98 5.559 -8.932 -10.884 1.00 0.00 C ATOM 1341 O LYS A 98 6.420 -8.760 -11.747 1.00 0.00 O ATOM 1342 CB LYS A 98 3.668 -7.449 -11.466 1.00 0.00 C ATOM 1343 CG LYS A 98 2.287 -7.360 -12.060 1.00 0.00 C ATOM 1344 CD LYS A 98 1.899 -5.929 -12.315 1.00 0.00 C ATOM 1345 CE LYS A 98 0.499 -5.830 -12.903 1.00 0.00 C ATOM 1346 NZ LYS A 98 0.367 -6.601 -14.158 1.00 0.00 N ATOM 0 H LYS A 98 3.083 -9.052 -9.343 1.00 0.00 H new ATOM 0 HA LYS A 98 3.966 -9.426 -12.127 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.691 -6.888 -10.532 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.378 -6.972 -12.142 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.252 -7.921 -12.994 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.567 -7.821 -11.384 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.944 -5.366 -11.383 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.615 -5.472 -12.998 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.226 -6.195 -12.176 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.260 -4.784 -13.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.508 -6.323 -14.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.183 -6.406 -14.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.333 -7.617 -13.939 1.00 0.00 H new ATOM 1360 N ALA A 99 5.827 -9.168 -9.678 1.00 0.00 N ATOM 1361 CA ALA A 99 7.133 -9.137 -9.197 1.00 0.00 C ATOM 1362 C ALA A 99 7.424 -10.397 -8.424 1.00 0.00 C ATOM 1363 O ALA A 99 7.766 -11.415 -9.053 1.00 0.00 O ATOM 1364 CB ALA A 99 7.271 -7.901 -8.353 1.00 0.00 C ATOM 1365 OXT ALA A 99 7.298 -10.402 -7.192 1.00 0.00 O ATOM 0 H ALA A 99 5.125 -9.395 -8.974 1.00 0.00 H new ATOM 0 HA ALA A 99 7.860 -9.097 -10.008 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.285 -7.842 -7.957 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.067 -7.020 -8.962 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.561 -7.943 -7.527 1.00 0.00 H new TER 1371 ALA A 99