USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1085 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 130 GLN : amide:sc= 0.452 K(o=2.2,f=-3.2) USER MOD Set 1.2: A 133 LYS NZ :NH3+ -158:sc= 1.79 (180deg=-0.229) USER MOD Set 2.1: A 67 CYS SG : rot -98:sc= -0.824 USER MOD Set 2.2: A 71 CYS SG : rot 94:sc= 0.173 USER MOD Set 3.1: A 37 TYR OH : rot -140:sc= -4.25! USER MOD Set 3.2: A 52 THR OG1 : rot -9:sc= 0.204 USER MOD Set 3.3: A 53 ASN : amide:sc= 0.264 K(o=-3.8,f=-6.6!) USER MOD Single : A 10 ASN : amide:sc= -0.338 K(o=-0.34,f=-5.2!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0138 K(o=-0.014,f=-0.94) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -119:sc= 0.849 (180deg=-0.479) USER MOD Single : A 22 ASN : amide:sc= -1.23 K(o=-1.2,f=-1.7) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= -1.84! (180deg=-3.65!) USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= -0.109 (180deg=-0.495) USER MOD Single : A 32 THR OG1 : rot 120:sc= 1.34 USER MOD Single : A 35 LYS NZ :NH3+ 163:sc= -0.0216 (180deg=-0.267) USER MOD Single : A 36 HIS : no HE2:sc= -0.298 K(o=-0.3,f=-6.4!) USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.12) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 3:sc= 1.22 USER MOD Single : A 47 ASN : amide:sc= -3.22! K(o=-3.2!,f=-1.3) USER MOD Single : A 48 MET CE :methyl -121:sc= -8.26! (180deg=-9.71!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 165:sc= -0.0208 USER MOD Single : A 54 GLN : amide:sc= -10.6! C(o=-11!,f=-12!) USER MOD Single : A 58 TYR OH : rot 57:sc= -0.571 USER MOD Single : A 61 LYS NZ :NH3+ 158:sc= -1.22 (180deg=-2.34!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.635 K(o=-0.64,f=-0.011) USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0124) USER MOD Single : A 73 LYS NZ :NH3+ -173:sc= 1.24 (180deg=0.984) USER MOD Single : A 81 ASN : amide:sc= -0.724 X(o=-0.72,f=-0.45) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.56) USER MOD Single : A 90 LYS NZ :NH3+ -170:sc=-0.00678 (180deg=-0.114) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0622 K(o=-0.062,f=1.4) USER MOD Single : A 98 SER OG : rot -25:sc= 1.07 USER MOD Single : A 99 TYR OH : rot 30:sc= -0.111 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 156:sc= -0.136 (180deg=-0.624!) USER MOD Single : A 110 HIS : no HE2:sc= -0.622 K(o=-0.62,f=-1.7) USER MOD Single : A 112 TYR OH : rot -169:sc= -0.0429 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 119:sc= -0.764! USER MOD Single : A 119 HIS : no HE2:sc= -2.43 K(o=-2.4,f=-5.5!) USER MOD Single : A 121 THR OG1 : rot -160:sc= -0.8 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -168:sc= 0.646 (180deg=0.591) USER MOD Single : A 128 CYS SG : rot 30:sc= -15.6! USER MOD Single : A 129 GLN : amide:sc= -1.25! K(o=-1.2!,f=-0.0027) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 GLN : amide:sc= -0.854 K(o=-0.85,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 25.465 -6.333 1.873 1.00 1.26 N ATOM 2 CA GLU A 9 24.594 -6.447 0.687 1.00 1.05 C ATOM 3 C GLU A 9 23.465 -5.425 0.753 1.00 0.90 C ATOM 4 O GLU A 9 23.046 -5.000 1.831 1.00 0.98 O ATOM 5 CB GLU A 9 24.017 -7.859 0.591 1.00 1.37 C ATOM 6 CG GLU A 9 23.188 -8.091 -0.660 1.00 2.20 C ATOM 7 CD GLU A 9 22.763 -9.534 -0.810 1.00 2.80 C ATOM 8 OE1 GLU A 9 21.851 -9.970 -0.076 1.00 3.20 O ATOM 9 OE2 GLU A 9 23.344 -10.245 -1.659 1.00 3.26 O ATOM 0 HA GLU A 9 25.193 -6.247 -0.202 1.00 1.05 H new ATOM 0 HB2 GLU A 9 24.835 -8.579 0.614 1.00 1.37 H new ATOM 0 HB3 GLU A 9 23.398 -8.051 1.468 1.00 1.37 H new ATOM 0 HG2 GLU A 9 22.303 -7.456 -0.629 1.00 2.20 H new ATOM 0 HG3 GLU A 9 23.765 -7.792 -1.535 1.00 2.20 H new ATOM 18 N ASN A 10 22.978 -5.057 -0.431 1.00 0.79 N ATOM 19 CA ASN A 10 22.003 -3.983 -0.604 1.00 0.66 C ATOM 20 C ASN A 10 20.712 -4.207 0.175 1.00 0.59 C ATOM 21 O ASN A 10 20.005 -3.253 0.456 1.00 0.53 O ATOM 22 CB ASN A 10 21.697 -3.773 -2.096 1.00 0.62 C ATOM 23 CG ASN A 10 21.349 -5.064 -2.825 1.00 1.14 C ATOM 24 OD1 ASN A 10 20.783 -5.993 -2.249 1.00 1.94 O ATOM 25 ND2 ASN A 10 21.700 -5.134 -4.099 1.00 1.45 N ATOM 0 H ASN A 10 23.253 -5.502 -1.307 1.00 0.79 H new ATOM 0 HA ASN A 10 22.460 -3.083 -0.192 1.00 0.66 H new ATOM 0 HB2 ASN A 10 20.868 -3.073 -2.195 1.00 0.62 H new ATOM 0 HB3 ASN A 10 22.561 -3.314 -2.576 1.00 0.62 H new ATOM 0 HD21 ASN A 10 21.503 -5.978 -4.637 1.00 1.45 H new ATOM 0 HD22 ASN A 10 22.168 -4.344 -4.543 1.00 1.45 H new ATOM 32 N LYS A 11 20.402 -5.449 0.524 1.00 0.63 N ATOM 33 CA LYS A 11 19.193 -5.736 1.291 1.00 0.62 C ATOM 34 C LYS A 11 19.270 -5.110 2.679 1.00 0.62 C ATOM 35 O LYS A 11 18.270 -4.632 3.216 1.00 0.58 O ATOM 36 CB LYS A 11 18.971 -7.243 1.411 1.00 0.71 C ATOM 37 CG LYS A 11 18.927 -7.960 0.074 1.00 0.79 C ATOM 38 CD LYS A 11 18.453 -9.398 0.218 1.00 1.12 C ATOM 39 CE LYS A 11 17.016 -9.468 0.715 1.00 1.50 C ATOM 40 NZ LYS A 11 16.452 -10.838 0.601 1.00 2.19 N ATOM 0 H LYS A 11 20.964 -6.268 0.292 1.00 0.63 H new ATOM 0 HA LYS A 11 18.349 -5.299 0.757 1.00 0.62 H new ATOM 0 HB2 LYS A 11 19.769 -7.672 2.018 1.00 0.71 H new ATOM 0 HB3 LYS A 11 18.036 -7.423 1.941 1.00 0.71 H new ATOM 0 HG2 LYS A 11 18.262 -7.425 -0.604 1.00 0.79 H new ATOM 0 HG3 LYS A 11 19.919 -7.948 -0.377 1.00 0.79 H new ATOM 0 HD2 LYS A 11 18.531 -9.905 -0.744 1.00 1.12 H new ATOM 0 HD3 LYS A 11 19.105 -9.929 0.912 1.00 1.12 H new ATOM 0 HE2 LYS A 11 16.976 -9.145 1.755 1.00 1.50 H new ATOM 0 HE3 LYS A 11 16.400 -8.774 0.143 1.00 1.50 H new ATOM 0 HZ1 LYS A 11 15.472 -10.840 0.950 1.00 2.19 H new ATOM 0 HZ2 LYS A 11 16.465 -11.137 -0.395 1.00 2.19 H new ATOM 0 HZ3 LYS A 11 17.023 -11.497 1.168 1.00 2.19 H new ATOM 54 N LYS A 12 20.471 -5.092 3.247 1.00 0.70 N ATOM 55 CA LYS A 12 20.684 -4.515 4.566 1.00 0.74 C ATOM 56 C LYS A 12 20.543 -2.999 4.498 1.00 0.66 C ATOM 57 O LYS A 12 19.988 -2.366 5.400 1.00 0.63 O ATOM 58 CB LYS A 12 22.068 -4.904 5.099 1.00 0.90 C ATOM 59 CG LYS A 12 22.360 -4.409 6.512 1.00 1.54 C ATOM 60 CD LYS A 12 21.349 -4.936 7.522 1.00 2.02 C ATOM 61 CE LYS A 12 21.346 -6.457 7.589 1.00 2.38 C ATOM 62 NZ LYS A 12 20.346 -6.969 8.561 1.00 2.83 N ATOM 0 H LYS A 12 21.312 -5.471 2.812 1.00 0.70 H new ATOM 0 HA LYS A 12 19.931 -4.906 5.250 1.00 0.74 H new ATOM 0 HB2 LYS A 12 22.159 -5.990 5.081 1.00 0.90 H new ATOM 0 HB3 LYS A 12 22.828 -4.510 4.424 1.00 0.90 H new ATOM 0 HG2 LYS A 12 23.362 -4.721 6.806 1.00 1.54 H new ATOM 0 HG3 LYS A 12 22.350 -3.319 6.524 1.00 1.54 H new ATOM 0 HD2 LYS A 12 21.577 -4.531 8.508 1.00 2.02 H new ATOM 0 HD3 LYS A 12 20.353 -4.583 7.255 1.00 2.02 H new ATOM 0 HE2 LYS A 12 21.132 -6.863 6.600 1.00 2.38 H new ATOM 0 HE3 LYS A 12 22.338 -6.810 7.870 1.00 2.38 H new ATOM 0 HZ1 LYS A 12 20.377 -8.008 8.576 1.00 2.83 H new ATOM 0 HZ2 LYS A 12 20.565 -6.603 9.509 1.00 2.83 H new ATOM 0 HZ3 LYS A 12 19.396 -6.655 8.279 1.00 2.83 H new ATOM 76 N GLN A 13 21.046 -2.421 3.416 1.00 0.64 N ATOM 77 CA GLN A 13 20.931 -1.003 3.190 1.00 0.59 C ATOM 78 C GLN A 13 19.510 -0.645 2.766 1.00 0.50 C ATOM 79 O GLN A 13 19.044 0.458 3.016 1.00 0.49 O ATOM 80 CB GLN A 13 21.926 -0.568 2.124 1.00 0.62 C ATOM 81 CG GLN A 13 22.228 0.908 2.183 1.00 0.90 C ATOM 82 CD GLN A 13 23.208 1.356 1.119 1.00 1.51 C ATOM 83 OE1 GLN A 13 23.288 0.770 0.043 1.00 2.07 O ATOM 84 NE2 GLN A 13 23.953 2.408 1.410 1.00 2.26 N ATOM 0 H GLN A 13 21.540 -2.925 2.680 1.00 0.64 H new ATOM 0 HA GLN A 13 21.155 -0.479 4.119 1.00 0.59 H new ATOM 0 HB2 GLN A 13 22.852 -1.130 2.245 1.00 0.62 H new ATOM 0 HB3 GLN A 13 21.530 -0.815 1.139 1.00 0.62 H new ATOM 0 HG2 GLN A 13 21.299 1.468 2.072 1.00 0.90 H new ATOM 0 HG3 GLN A 13 22.631 1.151 3.166 1.00 0.90 H new ATOM 0 HE21 GLN A 13 23.856 2.867 2.316 1.00 2.26 H new ATOM 0 HE22 GLN A 13 24.625 2.761 0.729 1.00 2.26 H new ATOM 93 N ALA A 14 18.831 -1.586 2.116 1.00 0.46 N ATOM 94 CA ALA A 14 17.447 -1.392 1.696 1.00 0.38 C ATOM 95 C ALA A 14 16.559 -1.183 2.909 1.00 0.39 C ATOM 96 O ALA A 14 15.626 -0.383 2.883 1.00 0.36 O ATOM 97 CB ALA A 14 16.961 -2.583 0.877 1.00 0.36 C ATOM 0 H ALA A 14 19.220 -2.496 1.868 1.00 0.46 H new ATOM 0 HA ALA A 14 17.396 -0.504 1.067 1.00 0.38 H new ATOM 0 HB1 ALA A 14 15.927 -2.418 0.574 1.00 0.36 H new ATOM 0 HB2 ALA A 14 17.586 -2.694 -0.009 1.00 0.36 H new ATOM 0 HB3 ALA A 14 17.022 -3.489 1.480 1.00 0.36 H new ATOM 103 N LEU A 15 16.862 -1.912 3.976 1.00 0.45 N ATOM 104 CA LEU A 15 16.158 -1.742 5.235 1.00 0.47 C ATOM 105 C LEU A 15 16.409 -0.329 5.753 1.00 0.49 C ATOM 106 O LEU A 15 15.489 0.347 6.216 1.00 0.49 O ATOM 107 CB LEU A 15 16.632 -2.803 6.245 1.00 0.54 C ATOM 108 CG LEU A 15 15.739 -3.033 7.480 1.00 1.13 C ATOM 109 CD1 LEU A 15 15.856 -1.888 8.475 1.00 1.98 C ATOM 110 CD2 LEU A 15 14.289 -3.231 7.065 1.00 1.31 C ATOM 0 H LEU A 15 17.591 -2.626 3.992 1.00 0.45 H new ATOM 0 HA LEU A 15 15.086 -1.876 5.091 1.00 0.47 H new ATOM 0 HB2 LEU A 15 16.735 -3.752 5.718 1.00 0.54 H new ATOM 0 HB3 LEU A 15 17.626 -2.522 6.592 1.00 0.54 H new ATOM 0 HG LEU A 15 16.088 -3.940 7.974 1.00 1.13 H new ATOM 0 HD11 LEU A 15 15.213 -2.084 9.333 1.00 1.98 H new ATOM 0 HD12 LEU A 15 16.890 -1.801 8.809 1.00 1.98 H new ATOM 0 HD13 LEU A 15 15.549 -0.958 7.997 1.00 1.98 H new ATOM 0 HD21 LEU A 15 13.676 -3.392 7.952 1.00 1.31 H new ATOM 0 HD22 LEU A 15 13.938 -2.345 6.536 1.00 1.31 H new ATOM 0 HD23 LEU A 15 14.213 -4.098 6.409 1.00 1.31 H new ATOM 122 N LYS A 16 17.658 0.118 5.634 1.00 0.51 N ATOM 123 CA LYS A 16 18.029 1.471 6.025 1.00 0.54 C ATOM 124 C LYS A 16 17.267 2.496 5.192 1.00 0.48 C ATOM 125 O LYS A 16 16.702 3.436 5.728 1.00 0.49 O ATOM 126 CB LYS A 16 19.533 1.701 5.852 1.00 0.62 C ATOM 127 CG LYS A 16 19.957 3.117 6.201 1.00 0.79 C ATOM 128 CD LYS A 16 21.357 3.437 5.711 1.00 1.64 C ATOM 129 CE LYS A 16 21.725 4.877 6.023 1.00 1.89 C ATOM 130 NZ LYS A 16 23.030 5.264 5.432 1.00 2.88 N ATOM 0 H LYS A 16 18.429 -0.441 5.269 1.00 0.51 H new ATOM 0 HA LYS A 16 17.771 1.592 7.077 1.00 0.54 H new ATOM 0 HB2 LYS A 16 20.078 0.998 6.482 1.00 0.62 H new ATOM 0 HB3 LYS A 16 19.812 1.487 4.820 1.00 0.62 H new ATOM 0 HG2 LYS A 16 19.251 3.823 5.764 1.00 0.79 H new ATOM 0 HG3 LYS A 16 19.913 3.251 7.282 1.00 0.79 H new ATOM 0 HD2 LYS A 16 22.074 2.764 6.182 1.00 1.64 H new ATOM 0 HD3 LYS A 16 21.418 3.267 4.636 1.00 1.64 H new ATOM 0 HE2 LYS A 16 20.946 5.539 5.644 1.00 1.89 H new ATOM 0 HE3 LYS A 16 21.763 5.014 7.104 1.00 1.89 H new ATOM 0 HZ1 LYS A 16 23.239 6.254 5.671 1.00 2.88 H new ATOM 0 HZ2 LYS A 16 23.779 4.650 5.812 1.00 2.88 H new ATOM 0 HZ3 LYS A 16 22.988 5.159 4.398 1.00 2.88 H new ATOM 144 N GLU A 17 17.260 2.297 3.879 1.00 0.42 N ATOM 145 CA GLU A 17 16.585 3.201 2.956 1.00 0.38 C ATOM 146 C GLU A 17 15.086 3.278 3.254 1.00 0.35 C ATOM 147 O GLU A 17 14.483 4.350 3.165 1.00 0.34 O ATOM 148 CB GLU A 17 16.841 2.754 1.511 1.00 0.35 C ATOM 149 CG GLU A 17 18.265 2.996 1.038 1.00 0.39 C ATOM 150 CD GLU A 17 18.766 4.396 1.353 1.00 0.42 C ATOM 151 OE1 GLU A 17 18.072 5.371 0.993 1.00 0.39 O ATOM 152 OE2 GLU A 17 19.838 4.532 1.987 1.00 0.54 O ATOM 0 H GLU A 17 17.720 1.508 3.426 1.00 0.42 H new ATOM 0 HA GLU A 17 16.992 4.203 3.089 1.00 0.38 H new ATOM 0 HB2 GLU A 17 16.615 1.691 1.424 1.00 0.35 H new ATOM 0 HB3 GLU A 17 16.154 3.282 0.850 1.00 0.35 H new ATOM 0 HG2 GLU A 17 18.926 2.266 1.505 1.00 0.39 H new ATOM 0 HG3 GLU A 17 18.317 2.831 -0.038 1.00 0.39 H new ATOM 159 N LYS A 18 14.491 2.152 3.636 1.00 0.34 N ATOM 160 CA LYS A 18 13.082 2.133 4.017 1.00 0.34 C ATOM 161 C LYS A 18 12.867 2.977 5.275 1.00 0.40 C ATOM 162 O LYS A 18 11.911 3.746 5.366 1.00 0.41 O ATOM 163 CB LYS A 18 12.596 0.696 4.253 1.00 0.34 C ATOM 164 CG LYS A 18 11.099 0.602 4.521 1.00 0.33 C ATOM 165 CD LYS A 18 10.690 -0.747 5.104 1.00 0.36 C ATOM 166 CE LYS A 18 11.300 -0.992 6.480 1.00 0.50 C ATOM 167 NZ LYS A 18 10.814 -0.020 7.497 1.00 0.80 N ATOM 0 H LYS A 18 14.958 1.247 3.690 1.00 0.34 H new ATOM 0 HA LYS A 18 12.500 2.558 3.199 1.00 0.34 H new ATOM 0 HB2 LYS A 18 12.841 0.089 3.381 1.00 0.34 H new ATOM 0 HB3 LYS A 18 13.137 0.271 5.099 1.00 0.34 H new ATOM 0 HG2 LYS A 18 10.807 1.395 5.210 1.00 0.33 H new ATOM 0 HG3 LYS A 18 10.556 0.771 3.591 1.00 0.33 H new ATOM 0 HD2 LYS A 18 9.603 -0.794 5.177 1.00 0.36 H new ATOM 0 HD3 LYS A 18 10.999 -1.542 4.425 1.00 0.36 H new ATOM 0 HE2 LYS A 18 11.061 -2.004 6.805 1.00 0.50 H new ATOM 0 HE3 LYS A 18 12.386 -0.928 6.410 1.00 0.50 H new ATOM 0 HZ1 LYS A 18 11.619 0.523 7.871 1.00 0.80 H new ATOM 0 HZ2 LYS A 18 10.132 0.630 7.058 1.00 0.80 H new ATOM 0 HZ3 LYS A 18 10.352 -0.533 8.275 1.00 0.80 H new ATOM 181 N GLU A 19 13.779 2.841 6.231 1.00 0.46 N ATOM 182 CA GLU A 19 13.714 3.586 7.486 1.00 0.52 C ATOM 183 C GLU A 19 14.004 5.059 7.274 1.00 0.50 C ATOM 184 O GLU A 19 13.345 5.913 7.849 1.00 0.53 O ATOM 185 CB GLU A 19 14.707 3.004 8.481 1.00 0.58 C ATOM 186 CG GLU A 19 14.319 1.622 8.968 1.00 0.63 C ATOM 187 CD GLU A 19 13.089 1.648 9.848 1.00 1.32 C ATOM 188 OE1 GLU A 19 11.969 1.670 9.300 1.00 2.32 O ATOM 189 OE2 GLU A 19 13.228 1.640 11.087 1.00 1.29 O ATOM 0 H GLU A 19 14.581 2.215 6.160 1.00 0.46 H new ATOM 0 HA GLU A 19 12.701 3.496 7.879 1.00 0.52 H new ATOM 0 HB2 GLU A 19 15.692 2.956 8.017 1.00 0.58 H new ATOM 0 HB3 GLU A 19 14.790 3.674 9.337 1.00 0.58 H new ATOM 0 HG2 GLU A 19 14.136 0.975 8.110 1.00 0.63 H new ATOM 0 HG3 GLU A 19 15.151 1.188 9.523 1.00 0.63 H new ATOM 196 N LEU A 20 14.997 5.345 6.453 1.00 0.47 N ATOM 197 CA LEU A 20 15.342 6.713 6.102 1.00 0.46 C ATOM 198 C LEU A 20 14.165 7.389 5.434 1.00 0.43 C ATOM 199 O LEU A 20 13.886 8.566 5.667 1.00 0.45 O ATOM 200 CB LEU A 20 16.547 6.722 5.164 1.00 0.45 C ATOM 201 CG LEU A 20 17.912 6.940 5.827 1.00 0.53 C ATOM 202 CD1 LEU A 20 18.036 8.374 6.304 1.00 0.58 C ATOM 203 CD2 LEU A 20 18.119 5.979 6.988 1.00 0.60 C ATOM 0 H LEU A 20 15.586 4.639 6.011 1.00 0.47 H new ATOM 0 HA LEU A 20 15.595 7.258 7.011 1.00 0.46 H new ATOM 0 HB2 LEU A 20 16.573 5.773 4.628 1.00 0.45 H new ATOM 0 HB3 LEU A 20 16.397 7.504 4.420 1.00 0.45 H new ATOM 0 HG LEU A 20 18.685 6.742 5.085 1.00 0.53 H new ATOM 0 HD11 LEU A 20 19.009 8.518 6.773 1.00 0.58 H new ATOM 0 HD12 LEU A 20 17.939 9.050 5.454 1.00 0.58 H new ATOM 0 HD13 LEU A 20 17.249 8.586 7.028 1.00 0.58 H new ATOM 0 HD21 LEU A 20 19.095 6.157 7.438 1.00 0.60 H new ATOM 0 HD22 LEU A 20 17.341 6.137 7.735 1.00 0.60 H new ATOM 0 HD23 LEU A 20 18.069 4.953 6.624 1.00 0.60 H new ATOM 215 N GLY A 21 13.482 6.633 4.591 1.00 0.39 N ATOM 216 CA GLY A 21 12.291 7.133 3.959 1.00 0.37 C ATOM 217 C GLY A 21 11.183 7.338 4.957 1.00 0.40 C ATOM 218 O GLY A 21 10.642 8.422 5.055 1.00 0.41 O ATOM 0 H GLY A 21 13.736 5.679 4.335 1.00 0.39 H new ATOM 0 HA2 GLY A 21 12.511 8.076 3.459 1.00 0.37 H new ATOM 0 HA3 GLY A 21 11.965 6.433 3.190 1.00 0.37 H new ATOM 222 N ASN A 22 10.863 6.301 5.712 1.00 0.43 N ATOM 223 CA ASN A 22 9.845 6.386 6.761 1.00 0.47 C ATOM 224 C ASN A 22 10.150 7.514 7.749 1.00 0.53 C ATOM 225 O ASN A 22 9.248 8.168 8.266 1.00 0.56 O ATOM 226 CB ASN A 22 9.765 5.059 7.515 1.00 0.52 C ATOM 227 CG ASN A 22 8.579 4.981 8.457 1.00 0.59 C ATOM 228 OD1 ASN A 22 7.544 5.607 8.233 1.00 1.27 O ATOM 229 ND2 ASN A 22 8.720 4.199 9.514 1.00 1.23 N ATOM 0 H ASN A 22 11.294 5.381 5.622 1.00 0.43 H new ATOM 0 HA ASN A 22 8.890 6.601 6.282 1.00 0.47 H new ATOM 0 HB2 ASN A 22 9.704 4.242 6.796 1.00 0.52 H new ATOM 0 HB3 ASN A 22 10.684 4.915 8.084 1.00 0.52 H new ATOM 0 HD21 ASN A 22 7.954 4.098 10.180 1.00 1.23 H new ATOM 0 HD22 ASN A 22 9.595 3.697 9.664 1.00 1.23 H new ATOM 236 N ASP A 23 11.426 7.737 8.002 1.00 0.54 N ATOM 237 CA ASP A 23 11.868 8.792 8.902 1.00 0.59 C ATOM 238 C ASP A 23 11.548 10.161 8.317 1.00 0.58 C ATOM 239 O ASP A 23 11.078 11.059 9.016 1.00 0.62 O ATOM 240 CB ASP A 23 13.369 8.669 9.132 1.00 0.61 C ATOM 241 CG ASP A 23 13.859 9.585 10.229 1.00 0.74 C ATOM 242 OD1 ASP A 23 13.620 9.281 11.413 1.00 0.93 O ATOM 243 OD2 ASP A 23 14.488 10.617 9.913 1.00 0.79 O ATOM 0 H ASP A 23 12.186 7.194 7.592 1.00 0.54 H new ATOM 0 HA ASP A 23 11.343 8.688 9.851 1.00 0.59 H new ATOM 0 HB2 ASP A 23 13.612 7.638 9.388 1.00 0.61 H new ATOM 0 HB3 ASP A 23 13.896 8.900 8.206 1.00 0.61 H new ATOM 248 N ALA A 24 11.809 10.306 7.027 1.00 0.53 N ATOM 249 CA ALA A 24 11.472 11.519 6.304 1.00 0.53 C ATOM 250 C ALA A 24 9.956 11.620 6.136 1.00 0.53 C ATOM 251 O ALA A 24 9.385 12.708 6.122 1.00 0.58 O ATOM 252 CB ALA A 24 12.178 11.523 4.956 1.00 0.49 C ATOM 0 H ALA A 24 12.258 9.590 6.456 1.00 0.53 H new ATOM 0 HA ALA A 24 11.807 12.389 6.869 1.00 0.53 H new ATOM 0 HB1 ALA A 24 11.924 12.434 4.415 1.00 0.49 H new ATOM 0 HB2 ALA A 24 13.256 11.481 5.110 1.00 0.49 H new ATOM 0 HB3 ALA A 24 11.860 10.656 4.376 1.00 0.49 H new ATOM 258 N TYR A 25 9.326 10.460 6.039 1.00 0.48 N ATOM 259 CA TYR A 25 7.874 10.323 5.956 1.00 0.49 C ATOM 260 C TYR A 25 7.224 10.946 7.188 1.00 0.59 C ATOM 261 O TYR A 25 6.263 11.710 7.090 1.00 0.63 O ATOM 262 CB TYR A 25 7.550 8.827 5.866 1.00 0.46 C ATOM 263 CG TYR A 25 6.098 8.470 5.664 1.00 0.48 C ATOM 264 CD1 TYR A 25 5.547 8.405 4.391 1.00 0.40 C ATOM 265 CD2 TYR A 25 5.270 8.240 6.751 1.00 0.64 C ATOM 266 CE1 TYR A 25 4.211 8.112 4.210 1.00 0.45 C ATOM 267 CE2 TYR A 25 3.931 7.950 6.581 1.00 0.68 C ATOM 268 CZ TYR A 25 3.445 7.738 5.275 1.00 0.54 C ATOM 269 OH TYR A 25 2.071 7.593 5.120 1.00 0.63 O ATOM 0 H TYR A 25 9.817 9.566 6.015 1.00 0.48 H new ATOM 0 HA TYR A 25 7.485 10.839 5.078 1.00 0.49 H new ATOM 0 HB2 TYR A 25 8.125 8.401 5.044 1.00 0.46 H new ATOM 0 HB3 TYR A 25 7.897 8.346 6.780 1.00 0.46 H new ATOM 0 HD1 TYR A 25 6.173 8.586 3.530 1.00 0.40 H new ATOM 0 HD2 TYR A 25 5.680 8.288 7.749 1.00 0.64 H new ATOM 0 HE1 TYR A 25 3.772 8.179 3.226 1.00 0.45 H new ATOM 0 HE2 TYR A 25 3.269 7.887 7.432 1.00 0.68 H new ATOM 0 HH TYR A 25 1.672 7.321 5.973 1.00 0.63 H new ATOM 279 N LYS A 26 7.788 10.625 8.345 1.00 0.65 N ATOM 280 CA LYS A 26 7.337 11.165 9.623 1.00 0.77 C ATOM 281 C LYS A 26 7.659 12.653 9.731 1.00 0.81 C ATOM 282 O LYS A 26 7.077 13.374 10.542 1.00 0.94 O ATOM 283 CB LYS A 26 8.024 10.410 10.764 1.00 0.82 C ATOM 284 CG LYS A 26 7.703 8.928 10.796 1.00 0.86 C ATOM 285 CD LYS A 26 8.616 8.188 11.756 1.00 1.03 C ATOM 286 CE LYS A 26 8.448 6.686 11.633 1.00 0.90 C ATOM 287 NZ LYS A 26 9.452 5.948 12.442 1.00 1.62 N ATOM 0 H LYS A 26 8.574 9.980 8.425 1.00 0.65 H new ATOM 0 HA LYS A 26 6.256 11.040 9.690 1.00 0.77 H new ATOM 0 HB2 LYS A 26 9.103 10.537 10.674 1.00 0.82 H new ATOM 0 HB3 LYS A 26 7.729 10.857 11.713 1.00 0.82 H new ATOM 0 HG2 LYS A 26 6.665 8.785 11.095 1.00 0.86 H new ATOM 0 HG3 LYS A 26 7.808 8.509 9.795 1.00 0.86 H new ATOM 0 HD2 LYS A 26 9.653 8.457 11.555 1.00 1.03 H new ATOM 0 HD3 LYS A 26 8.399 8.497 12.778 1.00 1.03 H new ATOM 0 HE2 LYS A 26 7.445 6.405 11.955 1.00 0.90 H new ATOM 0 HE3 LYS A 26 8.540 6.395 10.587 1.00 0.90 H new ATOM 0 HZ1 LYS A 26 9.303 4.925 12.331 1.00 1.62 H new ATOM 0 HZ2 LYS A 26 10.409 6.196 12.118 1.00 1.62 H new ATOM 0 HZ3 LYS A 26 9.348 6.206 13.444 1.00 1.62 H new ATOM 301 N LYS A 27 8.582 13.106 8.895 1.00 0.75 N ATOM 302 CA LYS A 27 9.081 14.471 8.955 1.00 0.80 C ATOM 303 C LYS A 27 8.471 15.323 7.840 1.00 0.79 C ATOM 304 O LYS A 27 8.935 16.430 7.562 1.00 0.84 O ATOM 305 CB LYS A 27 10.608 14.445 8.842 1.00 0.80 C ATOM 306 CG LYS A 27 11.288 15.716 9.310 1.00 1.16 C ATOM 307 CD LYS A 27 12.804 15.574 9.346 1.00 1.58 C ATOM 308 CE LYS A 27 13.289 14.815 10.581 1.00 1.93 C ATOM 309 NZ LYS A 27 12.946 13.366 10.548 1.00 2.31 N ATOM 0 H LYS A 27 9.004 12.540 8.159 1.00 0.75 H new ATOM 0 HA LYS A 27 8.793 14.920 9.906 1.00 0.80 H new ATOM 0 HB2 LYS A 27 10.990 13.607 9.424 1.00 0.80 H new ATOM 0 HB3 LYS A 27 10.881 14.262 7.803 1.00 0.80 H new ATOM 0 HG2 LYS A 27 11.017 16.537 8.647 1.00 1.16 H new ATOM 0 HG3 LYS A 27 10.925 15.976 10.304 1.00 1.16 H new ATOM 0 HD2 LYS A 27 13.139 15.054 8.449 1.00 1.58 H new ATOM 0 HD3 LYS A 27 13.259 16.564 9.329 1.00 1.58 H new ATOM 0 HE2 LYS A 27 14.370 14.925 10.666 1.00 1.93 H new ATOM 0 HE3 LYS A 27 12.852 15.266 11.472 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 13.658 12.829 11.083 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 12.009 13.221 10.976 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 12.931 13.035 9.562 1.00 2.31 H new ATOM 323 N LYS A 28 7.428 14.790 7.200 1.00 0.77 N ATOM 324 CA LYS A 28 6.731 15.480 6.111 1.00 0.80 C ATOM 325 C LYS A 28 7.643 15.721 4.910 1.00 0.71 C ATOM 326 O LYS A 28 7.313 16.488 4.010 1.00 0.75 O ATOM 327 CB LYS A 28 6.143 16.792 6.610 1.00 0.96 C ATOM 328 CG LYS A 28 5.084 16.599 7.676 1.00 1.07 C ATOM 329 CD LYS A 28 4.702 17.916 8.316 1.00 1.24 C ATOM 330 CE LYS A 28 3.550 17.744 9.290 1.00 1.77 C ATOM 331 NZ LYS A 28 2.347 17.168 8.633 1.00 2.39 N ATOM 0 H LYS A 28 7.043 13.871 7.420 1.00 0.77 H new ATOM 0 HA LYS A 28 5.921 14.832 5.775 1.00 0.80 H new ATOM 0 HB2 LYS A 28 6.944 17.414 7.010 1.00 0.96 H new ATOM 0 HB3 LYS A 28 5.709 17.333 5.769 1.00 0.96 H new ATOM 0 HG2 LYS A 28 4.201 16.137 7.235 1.00 1.07 H new ATOM 0 HG3 LYS A 28 5.454 15.915 8.440 1.00 1.07 H new ATOM 0 HD2 LYS A 28 5.563 18.332 8.839 1.00 1.24 H new ATOM 0 HD3 LYS A 28 4.423 18.631 7.542 1.00 1.24 H new ATOM 0 HE2 LYS A 28 3.861 17.096 10.109 1.00 1.77 H new ATOM 0 HE3 LYS A 28 3.297 18.710 9.727 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 1.510 17.345 9.225 1.00 2.39 H new ATOM 0 HZ2 LYS A 28 2.213 17.613 7.702 1.00 2.39 H new ATOM 0 HZ3 LYS A 28 2.475 16.143 8.512 1.00 2.39 H new ATOM 345 N ASP A 29 8.783 15.052 4.899 1.00 0.64 N ATOM 346 CA ASP A 29 9.675 15.076 3.756 1.00 0.59 C ATOM 347 C ASP A 29 9.284 13.951 2.816 1.00 0.50 C ATOM 348 O ASP A 29 10.081 13.063 2.529 1.00 0.47 O ATOM 349 CB ASP A 29 11.127 14.904 4.194 1.00 0.60 C ATOM 350 CG ASP A 29 11.945 16.172 4.077 1.00 0.93 C ATOM 351 OD1 ASP A 29 11.934 16.979 5.034 1.00 1.62 O ATOM 352 OD2 ASP A 29 12.591 16.377 3.028 1.00 1.39 O ATOM 0 H ASP A 29 9.113 14.481 5.677 1.00 0.64 H new ATOM 0 HA ASP A 29 9.588 16.039 3.252 1.00 0.59 H new ATOM 0 HB2 ASP A 29 11.148 14.561 5.228 1.00 0.60 H new ATOM 0 HB3 ASP A 29 11.591 14.124 3.590 1.00 0.60 H new ATOM 357 N PHE A 30 8.041 13.995 2.351 1.00 0.49 N ATOM 358 CA PHE A 30 7.460 12.902 1.580 1.00 0.44 C ATOM 359 C PHE A 30 8.233 12.649 0.291 1.00 0.42 C ATOM 360 O PHE A 30 8.397 11.505 -0.117 1.00 0.43 O ATOM 361 CB PHE A 30 5.981 13.178 1.296 1.00 0.45 C ATOM 362 CG PHE A 30 5.149 13.201 2.548 1.00 0.50 C ATOM 363 CD1 PHE A 30 4.808 12.018 3.179 1.00 0.52 C ATOM 364 CD2 PHE A 30 4.723 14.397 3.101 1.00 0.64 C ATOM 365 CE1 PHE A 30 4.056 12.026 4.337 1.00 0.58 C ATOM 366 CE2 PHE A 30 3.968 14.411 4.258 1.00 0.71 C ATOM 367 CZ PHE A 30 3.634 13.224 4.877 1.00 0.66 C ATOM 0 H PHE A 30 7.411 14.784 2.496 1.00 0.49 H new ATOM 0 HA PHE A 30 7.532 11.993 2.178 1.00 0.44 H new ATOM 0 HB2 PHE A 30 5.885 14.135 0.782 1.00 0.45 H new ATOM 0 HB3 PHE A 30 5.595 12.414 0.621 1.00 0.45 H new ATOM 0 HD1 PHE A 30 5.134 11.077 2.761 1.00 0.52 H new ATOM 0 HD2 PHE A 30 4.984 15.329 2.622 1.00 0.64 H new ATOM 0 HE1 PHE A 30 3.798 11.095 4.820 1.00 0.58 H new ATOM 0 HE2 PHE A 30 3.640 15.350 4.678 1.00 0.71 H new ATOM 0 HZ PHE A 30 3.044 13.232 5.782 1.00 0.66 H new ATOM 377 N ASP A 31 8.731 13.706 -0.332 1.00 0.46 N ATOM 378 CA ASP A 31 9.542 13.554 -1.538 1.00 0.48 C ATOM 379 C ASP A 31 10.829 12.805 -1.218 1.00 0.44 C ATOM 380 O ASP A 31 11.227 11.893 -1.938 1.00 0.42 O ATOM 381 CB ASP A 31 9.869 14.915 -2.161 1.00 0.57 C ATOM 382 CG ASP A 31 8.658 15.579 -2.785 1.00 1.30 C ATOM 383 OD1 ASP A 31 7.899 16.249 -2.050 1.00 1.61 O ATOM 384 OD2 ASP A 31 8.457 15.435 -4.010 1.00 1.93 O ATOM 0 H ASP A 31 8.592 14.670 -0.030 1.00 0.46 H new ATOM 0 HA ASP A 31 8.963 12.979 -2.261 1.00 0.48 H new ATOM 0 HB2 ASP A 31 10.283 15.571 -1.395 1.00 0.57 H new ATOM 0 HB3 ASP A 31 10.640 14.786 -2.921 1.00 0.57 H new ATOM 389 N THR A 32 11.460 13.186 -0.120 1.00 0.45 N ATOM 390 CA THR A 32 12.676 12.536 0.350 1.00 0.45 C ATOM 391 C THR A 32 12.387 11.102 0.797 1.00 0.39 C ATOM 392 O THR A 32 13.185 10.191 0.577 1.00 0.38 O ATOM 393 CB THR A 32 13.255 13.328 1.533 1.00 0.50 C ATOM 394 OG1 THR A 32 13.459 14.698 1.156 1.00 0.57 O ATOM 395 CG2 THR A 32 14.555 12.729 2.034 1.00 0.52 C ATOM 0 H THR A 32 11.145 13.955 0.472 1.00 0.45 H new ATOM 0 HA THR A 32 13.394 12.509 -0.470 1.00 0.45 H new ATOM 0 HB THR A 32 12.533 13.277 2.348 1.00 0.50 H new ATOM 0 HG1 THR A 32 12.924 15.280 1.736 1.00 0.57 H new ATOM 0 HG21 THR A 32 14.929 13.320 2.870 1.00 0.52 H new ATOM 0 HG22 THR A 32 14.381 11.704 2.363 1.00 0.52 H new ATOM 0 HG23 THR A 32 15.291 12.732 1.230 1.00 0.52 H new ATOM 403 N ALA A 33 11.239 10.915 1.427 1.00 0.38 N ATOM 404 CA ALA A 33 10.804 9.603 1.872 1.00 0.36 C ATOM 405 C ALA A 33 10.561 8.692 0.694 1.00 0.30 C ATOM 406 O ALA A 33 11.026 7.563 0.677 1.00 0.28 O ATOM 407 CB ALA A 33 9.536 9.728 2.696 1.00 0.39 C ATOM 0 H ALA A 33 10.584 11.667 1.644 1.00 0.38 H new ATOM 0 HA ALA A 33 11.593 9.171 2.488 1.00 0.36 H new ATOM 0 HB1 ALA A 33 9.217 8.739 3.025 1.00 0.39 H new ATOM 0 HB2 ALA A 33 9.728 10.356 3.566 1.00 0.39 H new ATOM 0 HB3 ALA A 33 8.751 10.179 2.089 1.00 0.39 H new ATOM 413 N LEU A 34 9.839 9.195 -0.289 1.00 0.29 N ATOM 414 CA LEU A 34 9.549 8.438 -1.489 1.00 0.26 C ATOM 415 C LEU A 34 10.844 8.192 -2.264 1.00 0.26 C ATOM 416 O LEU A 34 10.991 7.191 -2.960 1.00 0.26 O ATOM 417 CB LEU A 34 8.531 9.207 -2.332 1.00 0.28 C ATOM 418 CG LEU A 34 7.688 8.374 -3.296 1.00 0.33 C ATOM 419 CD1 LEU A 34 8.063 8.673 -4.731 1.00 0.81 C ATOM 420 CD2 LEU A 34 7.821 6.892 -2.999 1.00 0.53 C ATOM 0 H LEU A 34 9.440 10.134 -0.278 1.00 0.29 H new ATOM 0 HA LEU A 34 9.122 7.469 -1.232 1.00 0.26 H new ATOM 0 HB2 LEU A 34 7.858 9.737 -1.658 1.00 0.28 H new ATOM 0 HB3 LEU A 34 9.064 9.963 -2.908 1.00 0.28 H new ATOM 0 HG LEU A 34 6.643 8.649 -3.153 1.00 0.33 H new ATOM 0 HD11 LEU A 34 7.451 8.069 -5.401 1.00 0.81 H new ATOM 0 HD12 LEU A 34 7.894 9.730 -4.939 1.00 0.81 H new ATOM 0 HD13 LEU A 34 9.115 8.436 -4.889 1.00 0.81 H new ATOM 0 HD21 LEU A 34 7.210 6.324 -3.701 1.00 0.53 H new ATOM 0 HD22 LEU A 34 8.864 6.593 -3.101 1.00 0.53 H new ATOM 0 HD23 LEU A 34 7.484 6.693 -1.982 1.00 0.53 H new ATOM 432 N LYS A 35 11.782 9.115 -2.120 1.00 0.31 N ATOM 433 CA LYS A 35 13.113 8.970 -2.692 1.00 0.33 C ATOM 434 C LYS A 35 13.827 7.784 -2.048 1.00 0.29 C ATOM 435 O LYS A 35 14.312 6.884 -2.732 1.00 0.30 O ATOM 436 CB LYS A 35 13.913 10.249 -2.436 1.00 0.40 C ATOM 437 CG LYS A 35 14.722 10.734 -3.620 1.00 0.49 C ATOM 438 CD LYS A 35 13.828 11.295 -4.717 1.00 0.53 C ATOM 439 CE LYS A 35 13.289 12.671 -4.349 1.00 0.60 C ATOM 440 NZ LYS A 35 14.365 13.697 -4.323 1.00 1.41 N ATOM 0 H LYS A 35 11.643 9.984 -1.605 1.00 0.31 H new ATOM 0 HA LYS A 35 13.030 8.797 -3.765 1.00 0.33 H new ATOM 0 HB2 LYS A 35 13.224 11.039 -2.135 1.00 0.40 H new ATOM 0 HB3 LYS A 35 14.588 10.078 -1.597 1.00 0.40 H new ATOM 0 HG2 LYS A 35 15.423 11.502 -3.293 1.00 0.49 H new ATOM 0 HG3 LYS A 35 15.315 9.911 -4.018 1.00 0.49 H new ATOM 0 HD2 LYS A 35 14.391 11.361 -5.648 1.00 0.53 H new ATOM 0 HD3 LYS A 35 12.996 10.613 -4.894 1.00 0.53 H new ATOM 0 HE2 LYS A 35 12.523 12.965 -5.067 1.00 0.60 H new ATOM 0 HE3 LYS A 35 12.808 12.624 -3.372 1.00 0.60 H new ATOM 0 HZ1 LYS A 35 13.941 14.646 -4.357 1.00 1.41 H new ATOM 0 HZ2 LYS A 35 14.919 13.596 -3.449 1.00 1.41 H new ATOM 0 HZ3 LYS A 35 14.988 13.567 -5.145 1.00 1.41 H new ATOM 454 N HIS A 36 13.866 7.800 -0.721 1.00 0.29 N ATOM 455 CA HIS A 36 14.487 6.739 0.070 1.00 0.29 C ATOM 456 C HIS A 36 13.772 5.411 -0.112 1.00 0.25 C ATOM 457 O HIS A 36 14.401 4.364 -0.239 1.00 0.27 O ATOM 458 CB HIS A 36 14.460 7.117 1.546 1.00 0.38 C ATOM 459 CG HIS A 36 15.593 7.975 1.982 1.00 0.38 C ATOM 460 ND1 HIS A 36 16.922 7.641 1.819 1.00 0.43 N ATOM 461 CD2 HIS A 36 15.575 9.173 2.587 1.00 0.40 C ATOM 462 CE1 HIS A 36 17.675 8.610 2.307 1.00 0.47 C ATOM 463 NE2 HIS A 36 16.878 9.553 2.780 1.00 0.46 N ATOM 0 H HIS A 36 13.467 8.552 -0.159 1.00 0.29 H new ATOM 0 HA HIS A 36 15.514 6.627 -0.276 1.00 0.29 H new ATOM 0 HB2 HIS A 36 13.525 7.635 1.759 1.00 0.38 H new ATOM 0 HB3 HIS A 36 14.461 6.204 2.142 1.00 0.38 H new ATOM 0 HD1 HIS A 36 17.268 6.783 1.390 1.00 0.43 H new ATOM 0 HD2 HIS A 36 14.696 9.734 2.870 1.00 0.40 H new ATOM 0 HE1 HIS A 36 18.755 8.629 2.318 1.00 0.47 H new ATOM 472 N TYR A 37 12.456 5.468 -0.110 1.00 0.22 N ATOM 473 CA TYR A 37 11.634 4.285 -0.254 1.00 0.21 C ATOM 474 C TYR A 37 11.874 3.613 -1.603 1.00 0.21 C ATOM 475 O TYR A 37 12.041 2.396 -1.672 1.00 0.24 O ATOM 476 CB TYR A 37 10.163 4.652 -0.073 1.00 0.22 C ATOM 477 CG TYR A 37 9.672 4.540 1.349 1.00 0.23 C ATOM 478 CD1 TYR A 37 9.849 3.377 2.080 1.00 0.33 C ATOM 479 CD2 TYR A 37 9.075 5.619 1.973 1.00 0.37 C ATOM 480 CE1 TYR A 37 9.438 3.289 3.393 1.00 0.40 C ATOM 481 CE2 TYR A 37 8.670 5.545 3.288 1.00 0.41 C ATOM 482 CZ TYR A 37 8.689 4.287 3.929 1.00 0.36 C ATOM 483 OH TYR A 37 8.464 4.316 5.308 1.00 0.48 O ATOM 0 H TYR A 37 11.927 6.334 -0.009 1.00 0.22 H new ATOM 0 HA TYR A 37 11.911 3.568 0.519 1.00 0.21 H new ATOM 0 HB2 TYR A 37 10.009 5.674 -0.420 1.00 0.22 H new ATOM 0 HB3 TYR A 37 9.557 4.005 -0.707 1.00 0.22 H new ATOM 0 HD1 TYR A 37 10.318 2.523 1.613 1.00 0.33 H new ATOM 0 HD2 TYR A 37 8.923 6.535 1.421 1.00 0.37 H new ATOM 0 HE1 TYR A 37 9.710 2.432 3.991 1.00 0.40 H new ATOM 0 HE2 TYR A 37 8.345 6.429 3.816 1.00 0.41 H new ATOM 0 HH TYR A 37 7.538 4.585 5.483 1.00 0.48 H new ATOM 493 N ASP A 38 11.914 4.412 -2.668 1.00 0.25 N ATOM 494 CA ASP A 38 12.244 3.893 -3.994 1.00 0.31 C ATOM 495 C ASP A 38 13.683 3.408 -4.035 1.00 0.30 C ATOM 496 O ASP A 38 14.010 2.468 -4.757 1.00 0.32 O ATOM 497 CB ASP A 38 12.043 4.946 -5.077 1.00 0.42 C ATOM 498 CG ASP A 38 10.714 4.812 -5.801 1.00 0.78 C ATOM 499 OD1 ASP A 38 10.573 3.891 -6.630 1.00 0.68 O ATOM 500 OD2 ASP A 38 9.791 5.605 -5.509 1.00 1.51 O ATOM 0 H ASP A 38 11.724 5.414 -2.640 1.00 0.25 H new ATOM 0 HA ASP A 38 11.568 3.060 -4.188 1.00 0.31 H new ATOM 0 HB2 ASP A 38 12.107 5.937 -4.628 1.00 0.42 H new ATOM 0 HB3 ASP A 38 12.854 4.872 -5.802 1.00 0.42 H new ATOM 505 N LYS A 39 14.543 4.067 -3.265 1.00 0.30 N ATOM 506 CA LYS A 39 15.936 3.659 -3.150 1.00 0.32 C ATOM 507 C LYS A 39 16.021 2.263 -2.548 1.00 0.29 C ATOM 508 O LYS A 39 16.801 1.431 -2.998 1.00 0.32 O ATOM 509 CB LYS A 39 16.717 4.646 -2.284 1.00 0.35 C ATOM 510 CG LYS A 39 18.197 4.324 -2.191 1.00 0.41 C ATOM 511 CD LYS A 39 18.884 4.470 -3.536 1.00 0.47 C ATOM 512 CE LYS A 39 20.358 4.130 -3.440 1.00 0.54 C ATOM 513 NZ LYS A 39 21.102 5.090 -2.580 1.00 1.25 N ATOM 0 H LYS A 39 14.298 4.887 -2.711 1.00 0.30 H new ATOM 0 HA LYS A 39 16.376 3.648 -4.147 1.00 0.32 H new ATOM 0 HB2 LYS A 39 16.596 5.650 -2.691 1.00 0.35 H new ATOM 0 HB3 LYS A 39 16.291 4.655 -1.281 1.00 0.35 H new ATOM 0 HG2 LYS A 39 18.670 4.987 -1.466 1.00 0.41 H new ATOM 0 HG3 LYS A 39 18.326 3.306 -1.824 1.00 0.41 H new ATOM 0 HD2 LYS A 39 18.404 3.817 -4.265 1.00 0.47 H new ATOM 0 HD3 LYS A 39 18.767 5.491 -3.898 1.00 0.47 H new ATOM 0 HE2 LYS A 39 20.471 3.123 -3.039 1.00 0.54 H new ATOM 0 HE3 LYS A 39 20.794 4.127 -4.439 1.00 0.54 H new ATOM 0 HZ1 LYS A 39 22.124 4.934 -2.690 1.00 1.25 H new ATOM 0 HZ2 LYS A 39 20.867 6.063 -2.862 1.00 1.25 H new ATOM 0 HZ3 LYS A 39 20.835 4.944 -1.586 1.00 1.25 H new ATOM 527 N ALA A 40 15.200 2.012 -1.536 1.00 0.25 N ATOM 528 CA ALA A 40 15.126 0.698 -0.916 1.00 0.24 C ATOM 529 C ALA A 40 14.659 -0.344 -1.925 1.00 0.22 C ATOM 530 O ALA A 40 15.088 -1.491 -1.879 1.00 0.26 O ATOM 531 CB ALA A 40 14.203 0.733 0.296 1.00 0.22 C ATOM 0 H ALA A 40 14.574 2.706 -1.127 1.00 0.25 H new ATOM 0 HA ALA A 40 16.123 0.417 -0.577 1.00 0.24 H new ATOM 0 HB1 ALA A 40 14.159 -0.258 0.748 1.00 0.22 H new ATOM 0 HB2 ALA A 40 14.586 1.448 1.024 1.00 0.22 H new ATOM 0 HB3 ALA A 40 13.203 1.034 -0.017 1.00 0.22 H new ATOM 537 N LYS A 41 13.792 0.069 -2.845 1.00 0.23 N ATOM 538 CA LYS A 41 13.353 -0.802 -3.930 1.00 0.26 C ATOM 539 C LYS A 41 14.489 -1.019 -4.930 1.00 0.31 C ATOM 540 O LYS A 41 14.602 -2.077 -5.546 1.00 0.37 O ATOM 541 CB LYS A 41 12.148 -0.194 -4.646 1.00 0.29 C ATOM 542 CG LYS A 41 11.633 -1.023 -5.807 1.00 0.41 C ATOM 543 CD LYS A 41 10.621 -0.247 -6.630 1.00 0.78 C ATOM 544 CE LYS A 41 10.114 -1.063 -7.804 1.00 0.89 C ATOM 545 NZ LYS A 41 9.372 -0.229 -8.789 1.00 1.37 N ATOM 0 H LYS A 41 13.380 1.002 -2.861 1.00 0.23 H new ATOM 0 HA LYS A 41 13.066 -1.763 -3.503 1.00 0.26 H new ATOM 0 HB2 LYS A 41 11.342 -0.058 -3.925 1.00 0.29 H new ATOM 0 HB3 LYS A 41 12.419 0.796 -5.013 1.00 0.29 H new ATOM 0 HG2 LYS A 41 12.467 -1.323 -6.441 1.00 0.41 H new ATOM 0 HG3 LYS A 41 11.174 -1.937 -5.429 1.00 0.41 H new ATOM 0 HD2 LYS A 41 9.782 0.042 -5.998 1.00 0.78 H new ATOM 0 HD3 LYS A 41 11.077 0.673 -6.995 1.00 0.78 H new ATOM 0 HE2 LYS A 41 10.956 -1.545 -8.300 1.00 0.89 H new ATOM 0 HE3 LYS A 41 9.462 -1.857 -7.438 1.00 0.89 H new ATOM 0 HZ1 LYS A 41 9.044 -0.828 -9.574 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 8.553 0.211 -8.324 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 10.000 0.513 -9.159 1.00 1.37 H new ATOM 559 N GLU A 42 15.319 0.002 -5.101 1.00 0.32 N ATOM 560 CA GLU A 42 16.492 -0.100 -5.960 1.00 0.38 C ATOM 561 C GLU A 42 17.537 -1.009 -5.325 1.00 0.40 C ATOM 562 O GLU A 42 18.388 -1.572 -6.013 1.00 0.50 O ATOM 563 CB GLU A 42 17.102 1.281 -6.224 1.00 0.43 C ATOM 564 CG GLU A 42 16.230 2.191 -7.072 1.00 1.11 C ATOM 565 CD GLU A 42 16.881 3.531 -7.343 1.00 1.81 C ATOM 566 OE1 GLU A 42 17.950 3.560 -7.987 1.00 2.03 O ATOM 567 OE2 GLU A 42 16.336 4.565 -6.909 1.00 2.78 O ATOM 0 H GLU A 42 15.201 0.912 -4.655 1.00 0.32 H new ATOM 0 HA GLU A 42 16.174 -0.527 -6.911 1.00 0.38 H new ATOM 0 HB2 GLU A 42 17.297 1.769 -5.269 1.00 0.43 H new ATOM 0 HB3 GLU A 42 18.065 1.153 -6.719 1.00 0.43 H new ATOM 0 HG2 GLU A 42 16.011 1.699 -8.020 1.00 1.11 H new ATOM 0 HG3 GLU A 42 15.277 2.349 -6.567 1.00 1.11 H new ATOM 574 N LEU A 43 17.474 -1.135 -4.008 1.00 0.36 N ATOM 575 CA LEU A 43 18.385 -2.005 -3.282 1.00 0.39 C ATOM 576 C LEU A 43 17.833 -3.420 -3.227 1.00 0.39 C ATOM 577 O LEU A 43 18.499 -4.366 -3.646 1.00 0.49 O ATOM 578 CB LEU A 43 18.653 -1.457 -1.882 1.00 0.39 C ATOM 579 CG LEU A 43 19.837 -0.496 -1.799 1.00 0.43 C ATOM 580 CD1 LEU A 43 19.687 0.605 -2.811 1.00 0.42 C ATOM 581 CD2 LEU A 43 19.943 0.099 -0.421 1.00 0.45 C ATOM 0 H LEU A 43 16.800 -0.645 -3.420 1.00 0.36 H new ATOM 0 HA LEU A 43 19.337 -2.036 -3.812 1.00 0.39 H new ATOM 0 HB2 LEU A 43 17.759 -0.944 -1.528 1.00 0.39 H new ATOM 0 HB3 LEU A 43 18.830 -2.293 -1.205 1.00 0.39 H new ATOM 0 HG LEU A 43 20.746 -1.059 -2.011 1.00 0.43 H new ATOM 0 HD11 LEU A 43 20.538 1.282 -2.740 1.00 0.42 H new ATOM 0 HD12 LEU A 43 19.647 0.176 -3.812 1.00 0.42 H new ATOM 0 HD13 LEU A 43 18.767 1.156 -2.615 1.00 0.42 H new ATOM 0 HD21 LEU A 43 20.793 0.781 -0.383 1.00 0.45 H new ATOM 0 HD22 LEU A 43 19.029 0.646 -0.189 1.00 0.45 H new ATOM 0 HD23 LEU A 43 20.084 -0.698 0.309 1.00 0.45 H new ATOM 593 N ASP A 44 16.605 -3.570 -2.750 1.00 0.32 N ATOM 594 CA ASP A 44 15.946 -4.859 -2.820 1.00 0.33 C ATOM 595 C ASP A 44 14.528 -4.724 -3.357 1.00 0.32 C ATOM 596 O ASP A 44 13.594 -4.404 -2.622 1.00 0.33 O ATOM 597 CB ASP A 44 15.928 -5.590 -1.481 1.00 0.40 C ATOM 598 CG ASP A 44 15.518 -7.042 -1.655 1.00 0.46 C ATOM 599 OD1 ASP A 44 16.394 -7.877 -1.956 1.00 1.11 O ATOM 600 OD2 ASP A 44 14.318 -7.355 -1.512 1.00 0.52 O ATOM 0 H ASP A 44 16.056 -2.827 -2.318 1.00 0.32 H new ATOM 0 HA ASP A 44 16.536 -5.461 -3.512 1.00 0.33 H new ATOM 0 HB2 ASP A 44 16.916 -5.540 -1.023 1.00 0.40 H new ATOM 0 HB3 ASP A 44 15.236 -5.093 -0.801 1.00 0.40 H new ATOM 605 N PRO A 45 14.357 -4.976 -4.660 1.00 0.41 N ATOM 606 CA PRO A 45 13.063 -4.857 -5.335 1.00 0.49 C ATOM 607 C PRO A 45 12.107 -5.993 -4.994 1.00 0.47 C ATOM 608 O PRO A 45 10.921 -5.930 -5.317 1.00 0.59 O ATOM 609 CB PRO A 45 13.438 -4.921 -6.813 1.00 0.64 C ATOM 610 CG PRO A 45 14.680 -5.737 -6.841 1.00 0.63 C ATOM 611 CD PRO A 45 15.424 -5.386 -5.588 1.00 0.52 C ATOM 0 HA PRO A 45 12.538 -3.949 -5.039 1.00 0.49 H new ATOM 0 HB2 PRO A 45 12.646 -5.381 -7.405 1.00 0.64 H new ATOM 0 HB3 PRO A 45 13.606 -3.926 -7.224 1.00 0.64 H new ATOM 0 HG2 PRO A 45 14.448 -6.802 -6.874 1.00 0.63 H new ATOM 0 HG3 PRO A 45 15.276 -5.513 -7.726 1.00 0.63 H new ATOM 0 HD2 PRO A 45 15.986 -6.237 -5.203 1.00 0.52 H new ATOM 0 HD3 PRO A 45 16.140 -4.582 -5.758 1.00 0.52 H new ATOM 619 N THR A 46 12.626 -7.033 -4.353 1.00 0.39 N ATOM 620 CA THR A 46 11.822 -8.199 -4.031 1.00 0.40 C ATOM 621 C THR A 46 11.163 -8.050 -2.666 1.00 0.40 C ATOM 622 O THR A 46 10.276 -8.825 -2.298 1.00 0.42 O ATOM 623 CB THR A 46 12.656 -9.490 -4.078 1.00 0.42 C ATOM 624 OG1 THR A 46 13.761 -9.423 -3.162 1.00 0.45 O ATOM 625 CG2 THR A 46 13.176 -9.736 -5.487 1.00 0.46 C ATOM 0 H THR A 46 13.598 -7.090 -4.048 1.00 0.39 H new ATOM 0 HA THR A 46 11.042 -8.271 -4.789 1.00 0.40 H new ATOM 0 HB THR A 46 12.008 -10.316 -3.784 1.00 0.42 H new ATOM 0 HG1 THR A 46 13.720 -8.582 -2.660 1.00 0.45 H new ATOM 0 HG21 THR A 46 13.764 -10.654 -5.503 1.00 0.46 H new ATOM 0 HG22 THR A 46 12.335 -9.832 -6.174 1.00 0.46 H new ATOM 0 HG23 THR A 46 13.802 -8.899 -5.795 1.00 0.46 H new ATOM 633 N ASN A 47 11.601 -7.054 -1.912 1.00 0.52 N ATOM 634 CA ASN A 47 10.984 -6.743 -0.638 1.00 0.56 C ATOM 635 C ASN A 47 9.791 -5.842 -0.873 1.00 0.56 C ATOM 636 O ASN A 47 9.913 -4.615 -0.890 1.00 0.89 O ATOM 637 CB ASN A 47 11.978 -6.073 0.302 1.00 0.78 C ATOM 638 CG ASN A 47 11.485 -6.036 1.734 1.00 1.51 C ATOM 639 OD1 ASN A 47 11.702 -6.971 2.501 1.00 2.13 O ATOM 640 ND2 ASN A 47 10.832 -4.949 2.110 1.00 1.47 N ATOM 0 H ASN A 47 12.382 -6.448 -2.163 1.00 0.52 H new ATOM 0 HA ASN A 47 10.657 -7.670 -0.167 1.00 0.56 H new ATOM 0 HB2 ASN A 47 12.928 -6.606 0.261 1.00 0.78 H new ATOM 0 HB3 ASN A 47 12.168 -5.056 -0.040 1.00 0.78 H new ATOM 0 HD21 ASN A 47 10.489 -4.866 3.067 1.00 1.47 H new ATOM 0 HD22 ASN A 47 10.672 -4.194 1.443 1.00 1.47 H new ATOM 647 N MET A 48 8.641 -6.471 -1.062 1.00 0.29 N ATOM 648 CA MET A 48 7.412 -5.773 -1.409 1.00 0.26 C ATOM 649 C MET A 48 7.096 -4.653 -0.418 1.00 0.24 C ATOM 650 O MET A 48 6.480 -3.652 -0.782 1.00 0.24 O ATOM 651 CB MET A 48 6.250 -6.754 -1.457 1.00 0.22 C ATOM 652 CG MET A 48 5.788 -7.236 -0.093 1.00 0.19 C ATOM 653 SD MET A 48 4.279 -8.200 -0.192 1.00 1.05 S ATOM 654 CE MET A 48 3.197 -7.000 -0.960 1.00 0.27 C ATOM 0 H MET A 48 8.533 -7.482 -0.979 1.00 0.29 H new ATOM 0 HA MET A 48 7.557 -5.323 -2.391 1.00 0.26 H new ATOM 0 HB2 MET A 48 5.410 -6.281 -1.967 1.00 0.22 H new ATOM 0 HB3 MET A 48 6.542 -7.617 -2.056 1.00 0.22 H new ATOM 0 HG2 MET A 48 6.573 -7.839 0.363 1.00 0.19 H new ATOM 0 HG3 MET A 48 5.627 -6.377 0.559 1.00 0.19 H new ATOM 0 HE1 MET A 48 2.341 -6.814 -0.311 1.00 0.27 H new ATOM 0 HE2 MET A 48 3.741 -6.069 -1.120 1.00 0.27 H new ATOM 0 HE3 MET A 48 2.848 -7.385 -1.918 1.00 0.27 H new ATOM 664 N THR A 49 7.532 -4.830 0.824 1.00 0.24 N ATOM 665 CA THR A 49 7.281 -3.869 1.886 1.00 0.26 C ATOM 666 C THR A 49 7.818 -2.487 1.526 1.00 0.28 C ATOM 667 O THR A 49 7.227 -1.468 1.885 1.00 0.39 O ATOM 668 CB THR A 49 7.925 -4.343 3.197 1.00 0.29 C ATOM 669 OG1 THR A 49 7.554 -5.704 3.452 1.00 0.71 O ATOM 670 CG2 THR A 49 7.509 -3.462 4.364 1.00 0.64 C ATOM 0 H THR A 49 8.069 -5.645 1.121 1.00 0.24 H new ATOM 0 HA THR A 49 6.201 -3.796 2.015 1.00 0.26 H new ATOM 0 HB THR A 49 9.008 -4.273 3.093 1.00 0.29 H new ATOM 0 HG1 THR A 49 7.968 -6.005 4.288 1.00 0.71 H new ATOM 0 HG21 THR A 49 7.981 -3.822 5.278 1.00 0.64 H new ATOM 0 HG22 THR A 49 7.822 -2.435 4.174 1.00 0.64 H new ATOM 0 HG23 THR A 49 6.425 -3.496 4.477 1.00 0.64 H new ATOM 678 N TYR A 50 8.925 -2.451 0.794 1.00 0.23 N ATOM 679 CA TYR A 50 9.503 -1.184 0.385 1.00 0.23 C ATOM 680 C TYR A 50 8.553 -0.494 -0.574 1.00 0.26 C ATOM 681 O TYR A 50 8.172 0.656 -0.374 1.00 0.42 O ATOM 682 CB TYR A 50 10.867 -1.384 -0.282 1.00 0.21 C ATOM 683 CG TYR A 50 11.899 -2.025 0.616 1.00 0.22 C ATOM 684 CD1 TYR A 50 11.846 -1.848 1.989 1.00 0.28 C ATOM 685 CD2 TYR A 50 12.935 -2.794 0.093 1.00 0.25 C ATOM 686 CE1 TYR A 50 12.793 -2.410 2.817 1.00 0.35 C ATOM 687 CE2 TYR A 50 13.881 -3.365 0.917 1.00 0.31 C ATOM 688 CZ TYR A 50 13.786 -3.238 2.255 1.00 0.34 C ATOM 689 OH TYR A 50 14.767 -3.719 3.099 1.00 0.44 O ATOM 0 H TYR A 50 9.433 -3.276 0.476 1.00 0.23 H new ATOM 0 HA TYR A 50 9.654 -0.567 1.270 1.00 0.23 H new ATOM 0 HB2 TYR A 50 10.739 -2.002 -1.171 1.00 0.21 H new ATOM 0 HB3 TYR A 50 11.242 -0.417 -0.617 1.00 0.21 H new ATOM 0 HD1 TYR A 50 11.049 -1.259 2.418 1.00 0.28 H new ATOM 0 HD2 TYR A 50 12.998 -2.945 -0.974 1.00 0.25 H new ATOM 0 HE1 TYR A 50 12.775 -2.219 3.880 1.00 0.35 H new ATOM 0 HE2 TYR A 50 14.703 -3.918 0.487 1.00 0.31 H new ATOM 0 HH TYR A 50 15.243 -4.455 2.661 1.00 0.44 H new ATOM 699 N ILE A 51 8.135 -1.247 -1.582 1.00 0.18 N ATOM 700 CA ILE A 51 7.265 -0.745 -2.633 1.00 0.19 C ATOM 701 C ILE A 51 5.923 -0.266 -2.075 1.00 0.19 C ATOM 702 O ILE A 51 5.429 0.797 -2.455 1.00 0.22 O ATOM 703 CB ILE A 51 7.013 -1.837 -3.692 1.00 0.20 C ATOM 704 CG1 ILE A 51 8.342 -2.333 -4.269 1.00 0.25 C ATOM 705 CG2 ILE A 51 6.109 -1.307 -4.798 1.00 0.21 C ATOM 706 CD1 ILE A 51 8.208 -3.602 -5.079 1.00 0.33 C ATOM 0 H ILE A 51 8.392 -2.228 -1.693 1.00 0.18 H new ATOM 0 HA ILE A 51 7.772 0.104 -3.092 1.00 0.19 H new ATOM 0 HB ILE A 51 6.510 -2.678 -3.214 1.00 0.20 H new ATOM 0 HG12 ILE A 51 8.770 -1.553 -4.898 1.00 0.25 H new ATOM 0 HG13 ILE A 51 9.043 -2.504 -3.452 1.00 0.25 H new ATOM 0 HG21 ILE A 51 5.941 -2.090 -5.537 1.00 0.21 H new ATOM 0 HG22 ILE A 51 5.154 -1.000 -4.372 1.00 0.21 H new ATOM 0 HG23 ILE A 51 6.584 -0.451 -5.278 1.00 0.21 H new ATOM 0 HD11 ILE A 51 9.187 -3.897 -5.458 1.00 0.33 H new ATOM 0 HD12 ILE A 51 7.809 -4.396 -4.448 1.00 0.33 H new ATOM 0 HD13 ILE A 51 7.532 -3.429 -5.916 1.00 0.33 H new ATOM 718 N THR A 52 5.346 -1.047 -1.167 1.00 0.20 N ATOM 719 CA THR A 52 4.061 -0.700 -0.567 1.00 0.24 C ATOM 720 C THR A 52 4.174 0.567 0.264 1.00 0.24 C ATOM 721 O THR A 52 3.210 1.316 0.420 1.00 0.27 O ATOM 722 CB THR A 52 3.529 -1.836 0.329 1.00 0.27 C ATOM 723 OG1 THR A 52 4.487 -2.165 1.344 1.00 0.28 O ATOM 724 CG2 THR A 52 3.223 -3.074 -0.484 1.00 0.26 C ATOM 0 H THR A 52 5.746 -1.923 -0.831 1.00 0.20 H new ATOM 0 HA THR A 52 3.363 -0.539 -1.389 1.00 0.24 H new ATOM 0 HB THR A 52 2.609 -1.483 0.795 1.00 0.27 H new ATOM 0 HG1 THR A 52 5.327 -1.694 1.166 1.00 0.28 H new ATOM 0 HG21 THR A 52 2.850 -3.858 0.174 1.00 0.26 H new ATOM 0 HG22 THR A 52 2.467 -2.839 -1.234 1.00 0.26 H new ATOM 0 HG23 THR A 52 4.131 -3.418 -0.979 1.00 0.26 H new ATOM 732 N ASN A 53 5.359 0.801 0.799 1.00 0.25 N ATOM 733 CA ASN A 53 5.596 1.961 1.632 1.00 0.27 C ATOM 734 C ASN A 53 5.937 3.175 0.782 1.00 0.24 C ATOM 735 O ASN A 53 5.676 4.309 1.181 1.00 0.27 O ATOM 736 CB ASN A 53 6.690 1.658 2.648 1.00 0.34 C ATOM 737 CG ASN A 53 6.157 0.908 3.853 1.00 0.81 C ATOM 738 OD1 ASN A 53 5.150 0.197 3.768 1.00 1.59 O ATOM 739 ND2 ASN A 53 6.825 1.060 4.983 1.00 1.42 N ATOM 0 H ASN A 53 6.173 0.200 0.670 1.00 0.25 H new ATOM 0 HA ASN A 53 4.684 2.198 2.180 1.00 0.27 H new ATOM 0 HB2 ASN A 53 7.473 1.068 2.172 1.00 0.34 H new ATOM 0 HB3 ASN A 53 7.148 2.591 2.976 1.00 0.34 H new ATOM 0 HD21 ASN A 53 6.514 0.581 5.828 1.00 1.42 H new ATOM 0 HD22 ASN A 53 7.652 1.656 5.010 1.00 1.42 H new ATOM 746 N GLN A 54 6.512 2.935 -0.395 1.00 0.23 N ATOM 747 CA GLN A 54 6.641 3.987 -1.400 1.00 0.25 C ATOM 748 C GLN A 54 5.244 4.477 -1.738 1.00 0.25 C ATOM 749 O GLN A 54 4.969 5.676 -1.797 1.00 0.28 O ATOM 750 CB GLN A 54 7.259 3.465 -2.701 1.00 0.27 C ATOM 751 CG GLN A 54 8.516 2.633 -2.548 1.00 0.40 C ATOM 752 CD GLN A 54 8.958 2.031 -3.861 1.00 0.62 C ATOM 753 OE1 GLN A 54 10.137 1.812 -4.086 1.00 1.27 O ATOM 754 NE2 GLN A 54 8.009 1.753 -4.739 1.00 1.34 N ATOM 0 H GLN A 54 6.892 2.031 -0.674 1.00 0.23 H new ATOM 0 HA GLN A 54 7.282 4.769 -0.993 1.00 0.25 H new ATOM 0 HB2 GLN A 54 6.511 2.867 -3.221 1.00 0.27 H new ATOM 0 HB3 GLN A 54 7.486 4.318 -3.341 1.00 0.27 H new ATOM 0 HG2 GLN A 54 9.316 3.255 -2.147 1.00 0.40 H new ATOM 0 HG3 GLN A 54 8.338 1.837 -1.825 1.00 0.40 H new ATOM 0 HE21 GLN A 54 7.034 1.950 -4.515 1.00 1.34 H new ATOM 0 HE22 GLN A 54 8.252 1.341 -5.640 1.00 1.34 H new ATOM 763 N ALA A 55 4.370 3.499 -1.955 1.00 0.24 N ATOM 764 CA ALA A 55 2.980 3.731 -2.304 1.00 0.25 C ATOM 765 C ALA A 55 2.287 4.609 -1.271 1.00 0.26 C ATOM 766 O ALA A 55 1.529 5.516 -1.619 1.00 0.30 O ATOM 767 CB ALA A 55 2.266 2.393 -2.428 1.00 0.24 C ATOM 0 H ALA A 55 4.615 2.511 -1.892 1.00 0.24 H new ATOM 0 HA ALA A 55 2.942 4.258 -3.258 1.00 0.25 H new ATOM 0 HB1 ALA A 55 1.221 2.561 -2.690 1.00 0.24 H new ATOM 0 HB2 ALA A 55 2.744 1.796 -3.205 1.00 0.24 H new ATOM 0 HB3 ALA A 55 2.321 1.862 -1.478 1.00 0.24 H new ATOM 773 N ALA A 56 2.565 4.339 0.000 1.00 0.26 N ATOM 774 CA ALA A 56 1.991 5.111 1.092 1.00 0.27 C ATOM 775 C ALA A 56 2.358 6.583 0.978 1.00 0.26 C ATOM 776 O ALA A 56 1.553 7.456 1.304 1.00 0.30 O ATOM 777 CB ALA A 56 2.448 4.570 2.434 1.00 0.29 C ATOM 0 H ALA A 56 3.187 3.588 0.298 1.00 0.26 H new ATOM 0 HA ALA A 56 0.907 5.018 1.024 1.00 0.27 H new ATOM 0 HB1 ALA A 56 2.006 5.163 3.235 1.00 0.29 H new ATOM 0 HB2 ALA A 56 2.132 3.532 2.534 1.00 0.29 H new ATOM 0 HB3 ALA A 56 3.535 4.626 2.498 1.00 0.29 H new ATOM 783 N VAL A 57 3.576 6.857 0.510 1.00 0.26 N ATOM 784 CA VAL A 57 4.009 8.230 0.326 1.00 0.27 C ATOM 785 C VAL A 57 3.145 8.908 -0.713 1.00 0.26 C ATOM 786 O VAL A 57 2.690 10.020 -0.506 1.00 0.30 O ATOM 787 CB VAL A 57 5.477 8.363 -0.113 1.00 0.28 C ATOM 788 CG1 VAL A 57 5.869 9.826 -0.148 1.00 0.33 C ATOM 789 CG2 VAL A 57 6.406 7.591 0.801 1.00 0.30 C ATOM 0 H VAL A 57 4.268 6.152 0.256 1.00 0.26 H new ATOM 0 HA VAL A 57 3.911 8.705 1.302 1.00 0.27 H new ATOM 0 HB VAL A 57 5.572 7.937 -1.112 1.00 0.28 H new ATOM 0 HG11 VAL A 57 6.910 9.916 -0.459 1.00 0.33 H new ATOM 0 HG12 VAL A 57 5.231 10.357 -0.855 1.00 0.33 H new ATOM 0 HG13 VAL A 57 5.749 10.259 0.845 1.00 0.33 H new ATOM 0 HG21 VAL A 57 7.434 7.709 0.459 1.00 0.30 H new ATOM 0 HG22 VAL A 57 6.316 7.973 1.818 1.00 0.30 H new ATOM 0 HG23 VAL A 57 6.137 6.535 0.785 1.00 0.30 H new ATOM 799 N TYR A 58 2.916 8.221 -1.828 1.00 0.25 N ATOM 800 CA TYR A 58 2.074 8.749 -2.895 1.00 0.27 C ATOM 801 C TYR A 58 0.703 9.119 -2.369 1.00 0.28 C ATOM 802 O TYR A 58 0.144 10.138 -2.755 1.00 0.29 O ATOM 803 CB TYR A 58 1.929 7.736 -4.016 1.00 0.27 C ATOM 804 CG TYR A 58 3.141 7.647 -4.897 1.00 0.28 C ATOM 805 CD1 TYR A 58 3.279 8.460 -6.002 1.00 0.35 C ATOM 806 CD2 TYR A 58 4.143 6.737 -4.620 1.00 0.28 C ATOM 807 CE1 TYR A 58 4.390 8.371 -6.811 1.00 0.38 C ATOM 808 CE2 TYR A 58 5.253 6.635 -5.418 1.00 0.30 C ATOM 809 CZ TYR A 58 5.371 7.507 -6.529 1.00 0.33 C ATOM 810 OH TYR A 58 6.485 7.358 -7.322 1.00 0.37 O ATOM 0 H TYR A 58 3.303 7.296 -2.016 1.00 0.25 H new ATOM 0 HA TYR A 58 2.557 9.645 -3.284 1.00 0.27 H new ATOM 0 HB2 TYR A 58 1.728 6.755 -3.586 1.00 0.27 H new ATOM 0 HB3 TYR A 58 1.064 8.000 -4.625 1.00 0.27 H new ATOM 0 HD1 TYR A 58 2.505 9.176 -6.236 1.00 0.35 H new ATOM 0 HD2 TYR A 58 4.050 6.093 -3.758 1.00 0.28 H new ATOM 0 HE1 TYR A 58 4.470 9.005 -7.682 1.00 0.38 H new ATOM 0 HE2 TYR A 58 6.021 5.906 -5.205 1.00 0.30 H new ATOM 0 HH TYR A 58 6.938 8.222 -7.416 1.00 0.37 H new ATOM 820 N PHE A 59 0.175 8.295 -1.477 1.00 0.30 N ATOM 821 CA PHE A 59 -1.109 8.573 -0.860 1.00 0.32 C ATOM 822 C PHE A 59 -1.063 9.933 -0.163 1.00 0.35 C ATOM 823 O PHE A 59 -1.946 10.772 -0.347 1.00 0.42 O ATOM 824 CB PHE A 59 -1.470 7.467 0.131 1.00 0.33 C ATOM 825 CG PHE A 59 -2.922 7.480 0.527 1.00 0.35 C ATOM 826 CD1 PHE A 59 -3.438 8.505 1.305 1.00 0.49 C ATOM 827 CD2 PHE A 59 -3.775 6.479 0.097 1.00 0.29 C ATOM 828 CE1 PHE A 59 -4.776 8.533 1.639 1.00 0.56 C ATOM 829 CE2 PHE A 59 -5.112 6.499 0.438 1.00 0.35 C ATOM 830 CZ PHE A 59 -5.613 7.530 1.208 1.00 0.47 C ATOM 0 H PHE A 59 0.617 7.430 -1.166 1.00 0.30 H new ATOM 0 HA PHE A 59 -1.879 8.602 -1.631 1.00 0.32 H new ATOM 0 HB2 PHE A 59 -1.228 6.500 -0.309 1.00 0.33 H new ATOM 0 HB3 PHE A 59 -0.855 7.573 1.025 1.00 0.33 H new ATOM 0 HD1 PHE A 59 -2.784 9.291 1.654 1.00 0.49 H new ATOM 0 HD2 PHE A 59 -3.391 5.674 -0.512 1.00 0.29 H new ATOM 0 HE1 PHE A 59 -5.166 9.342 2.239 1.00 0.56 H new ATOM 0 HE2 PHE A 59 -5.767 5.708 0.103 1.00 0.35 H new ATOM 0 HZ PHE A 59 -6.660 7.549 1.471 1.00 0.47 H new ATOM 840 N GLU A 60 -0.007 10.151 0.607 1.00 0.34 N ATOM 841 CA GLU A 60 0.201 11.420 1.296 1.00 0.37 C ATOM 842 C GLU A 60 0.537 12.529 0.301 1.00 0.35 C ATOM 843 O GLU A 60 0.206 13.693 0.513 1.00 0.41 O ATOM 844 CB GLU A 60 1.318 11.266 2.320 1.00 0.39 C ATOM 845 CG GLU A 60 0.946 10.355 3.479 1.00 0.44 C ATOM 846 CD GLU A 60 -0.211 10.890 4.301 1.00 0.91 C ATOM 847 OE1 GLU A 60 -1.379 10.628 3.936 1.00 1.07 O ATOM 848 OE2 GLU A 60 0.033 11.578 5.312 1.00 1.42 O ATOM 0 H GLU A 60 0.725 9.461 0.772 1.00 0.34 H new ATOM 0 HA GLU A 60 -0.720 11.698 1.809 1.00 0.37 H new ATOM 0 HB2 GLU A 60 2.204 10.870 1.825 1.00 0.39 H new ATOM 0 HB3 GLU A 60 1.583 12.249 2.709 1.00 0.39 H new ATOM 0 HG2 GLU A 60 0.685 9.370 3.091 1.00 0.44 H new ATOM 0 HG3 GLU A 60 1.814 10.224 4.125 1.00 0.44 H new ATOM 855 N LYS A 61 1.186 12.144 -0.791 1.00 0.32 N ATOM 856 CA LYS A 61 1.574 13.072 -1.848 1.00 0.33 C ATOM 857 C LYS A 61 0.351 13.589 -2.603 1.00 0.35 C ATOM 858 O LYS A 61 0.388 14.659 -3.210 1.00 0.40 O ATOM 859 CB LYS A 61 2.533 12.385 -2.830 1.00 0.33 C ATOM 860 CG LYS A 61 3.920 12.156 -2.257 1.00 0.48 C ATOM 861 CD LYS A 61 4.989 12.136 -3.339 1.00 0.49 C ATOM 862 CE LYS A 61 4.834 10.975 -4.312 1.00 0.36 C ATOM 863 NZ LYS A 61 5.920 10.986 -5.325 1.00 1.10 N ATOM 0 H LYS A 61 1.459 11.178 -0.970 1.00 0.32 H new ATOM 0 HA LYS A 61 2.077 13.920 -1.382 1.00 0.33 H new ATOM 0 HB2 LYS A 61 2.109 11.427 -3.130 1.00 0.33 H new ATOM 0 HB3 LYS A 61 2.616 12.993 -3.731 1.00 0.33 H new ATOM 0 HG2 LYS A 61 4.148 12.941 -1.537 1.00 0.48 H new ATOM 0 HG3 LYS A 61 3.936 11.211 -1.714 1.00 0.48 H new ATOM 0 HD2 LYS A 61 4.954 13.074 -3.893 1.00 0.49 H new ATOM 0 HD3 LYS A 61 5.971 12.080 -2.870 1.00 0.49 H new ATOM 0 HE2 LYS A 61 4.850 10.032 -3.765 1.00 0.36 H new ATOM 0 HE3 LYS A 61 3.866 11.038 -4.809 1.00 0.36 H new ATOM 0 HZ1 LYS A 61 6.028 10.034 -5.728 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 5.682 11.658 -6.082 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 6.812 11.274 -4.875 1.00 1.10 H new ATOM 877 N GLY A 62 -0.732 12.825 -2.557 1.00 0.34 N ATOM 878 CA GLY A 62 -1.923 13.171 -3.308 1.00 0.36 C ATOM 879 C GLY A 62 -2.079 12.281 -4.523 1.00 0.33 C ATOM 880 O GLY A 62 -3.093 12.322 -5.220 1.00 0.35 O ATOM 0 H GLY A 62 -0.807 11.967 -2.010 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -2.800 13.076 -2.668 1.00 0.36 H new ATOM 0 HA3 GLY A 62 -1.869 14.214 -3.622 1.00 0.36 H new ATOM 884 N ASP A 63 -1.062 11.470 -4.760 1.00 0.31 N ATOM 885 CA ASP A 63 -1.047 10.529 -5.869 1.00 0.30 C ATOM 886 C ASP A 63 -1.680 9.210 -5.445 1.00 0.27 C ATOM 887 O ASP A 63 -0.989 8.217 -5.198 1.00 0.32 O ATOM 888 CB ASP A 63 0.386 10.297 -6.339 1.00 0.32 C ATOM 889 CG ASP A 63 0.976 11.496 -7.046 1.00 0.84 C ATOM 890 OD1 ASP A 63 0.797 11.611 -8.278 1.00 1.26 O ATOM 891 OD2 ASP A 63 1.612 12.335 -6.372 1.00 1.26 O ATOM 0 H ASP A 63 -0.219 11.445 -4.186 1.00 0.31 H new ATOM 0 HA ASP A 63 -1.625 10.947 -6.694 1.00 0.30 H new ATOM 0 HB2 ASP A 63 1.008 10.046 -5.480 1.00 0.32 H new ATOM 0 HB3 ASP A 63 0.408 9.439 -7.011 1.00 0.32 H new ATOM 896 N TYR A 64 -3.000 9.205 -5.363 1.00 0.27 N ATOM 897 CA TYR A 64 -3.736 8.049 -4.870 1.00 0.28 C ATOM 898 C TYR A 64 -3.644 6.882 -5.836 1.00 0.29 C ATOM 899 O TYR A 64 -3.514 5.731 -5.421 1.00 0.34 O ATOM 900 CB TYR A 64 -5.197 8.423 -4.623 1.00 0.29 C ATOM 901 CG TYR A 64 -5.344 9.495 -3.574 1.00 0.32 C ATOM 902 CD1 TYR A 64 -5.069 9.216 -2.249 1.00 0.33 C ATOM 903 CD2 TYR A 64 -5.729 10.787 -3.908 1.00 0.35 C ATOM 904 CE1 TYR A 64 -5.176 10.185 -1.280 1.00 0.36 C ATOM 905 CE2 TYR A 64 -5.836 11.768 -2.942 1.00 0.39 C ATOM 906 CZ TYR A 64 -5.558 11.461 -1.626 1.00 0.38 C ATOM 907 OH TYR A 64 -5.666 12.430 -0.657 1.00 0.43 O ATOM 0 H TYR A 64 -3.589 9.993 -5.633 1.00 0.27 H new ATOM 0 HA TYR A 64 -3.284 7.737 -3.928 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -5.644 8.767 -5.556 1.00 0.29 H new ATOM 0 HB3 TYR A 64 -5.749 7.536 -4.313 1.00 0.29 H new ATOM 0 HD1 TYR A 64 -4.764 8.218 -1.970 1.00 0.33 H new ATOM 0 HD2 TYR A 64 -5.948 11.028 -4.938 1.00 0.35 H new ATOM 0 HE1 TYR A 64 -4.961 9.945 -0.249 1.00 0.36 H new ATOM 0 HE2 TYR A 64 -6.135 12.769 -3.215 1.00 0.39 H new ATOM 0 HH TYR A 64 -5.945 13.275 -1.069 1.00 0.43 H new ATOM 917 N ASN A 65 -3.675 7.182 -7.122 1.00 0.31 N ATOM 918 CA ASN A 65 -3.639 6.144 -8.142 1.00 0.37 C ATOM 919 C ASN A 65 -2.283 5.455 -8.162 1.00 0.33 C ATOM 920 O ASN A 65 -2.167 4.310 -8.592 1.00 0.34 O ATOM 921 CB ASN A 65 -3.968 6.718 -9.518 1.00 0.47 C ATOM 922 CG ASN A 65 -5.355 7.330 -9.581 1.00 1.17 C ATOM 923 OD1 ASN A 65 -5.599 8.264 -10.342 1.00 1.66 O ATOM 924 ND2 ASN A 65 -6.274 6.810 -8.780 1.00 2.18 N ATOM 0 H ASN A 65 -3.725 8.133 -7.487 1.00 0.31 H new ATOM 0 HA ASN A 65 -4.398 5.403 -7.893 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -3.229 7.476 -9.777 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -3.890 5.928 -10.265 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -7.223 7.185 -8.781 1.00 2.18 H new ATOM 0 HD22 ASN A 65 -6.033 6.035 -8.162 1.00 2.18 H new ATOM 931 N LYS A 66 -1.260 6.150 -7.678 1.00 0.34 N ATOM 932 CA LYS A 66 0.067 5.582 -7.598 1.00 0.32 C ATOM 933 C LYS A 66 0.187 4.687 -6.377 1.00 0.31 C ATOM 934 O LYS A 66 0.855 3.655 -6.421 1.00 0.32 O ATOM 935 CB LYS A 66 1.112 6.679 -7.543 1.00 0.29 C ATOM 936 CG LYS A 66 2.311 6.399 -8.411 1.00 0.40 C ATOM 937 CD LYS A 66 2.953 5.125 -8.058 1.00 0.63 C ATOM 938 CE LYS A 66 4.313 5.056 -8.699 1.00 0.42 C ATOM 939 NZ LYS A 66 4.239 4.951 -10.181 1.00 0.68 N ATOM 0 H LYS A 66 -1.331 7.108 -7.336 1.00 0.34 H new ATOM 0 HA LYS A 66 0.237 4.982 -8.492 1.00 0.32 H new ATOM 0 HB2 LYS A 66 0.658 7.620 -7.854 1.00 0.29 H new ATOM 0 HB3 LYS A 66 1.440 6.808 -6.512 1.00 0.29 H new ATOM 0 HG2 LYS A 66 2.005 6.375 -9.457 1.00 0.40 H new ATOM 0 HG3 LYS A 66 3.032 7.210 -8.308 1.00 0.40 H new ATOM 0 HD2 LYS A 66 3.044 5.039 -6.975 1.00 0.63 H new ATOM 0 HD3 LYS A 66 2.338 4.290 -8.393 1.00 0.63 H new ATOM 0 HE2 LYS A 66 4.884 5.944 -8.429 1.00 0.42 H new ATOM 0 HE3 LYS A 66 4.854 4.197 -8.304 1.00 0.42 H new ATOM 0 HZ1 LYS A 66 5.199 4.855 -10.571 1.00 0.68 H new ATOM 0 HZ2 LYS A 66 3.674 4.118 -10.442 1.00 0.68 H new ATOM 0 HZ3 LYS A 66 3.792 5.807 -10.568 1.00 0.68 H new ATOM 953 N CYS A 67 -0.457 5.083 -5.285 1.00 0.31 N ATOM 954 CA CYS A 67 -0.535 4.224 -4.114 1.00 0.32 C ATOM 955 C CYS A 67 -1.182 2.908 -4.524 1.00 0.36 C ATOM 956 O CYS A 67 -0.752 1.829 -4.121 1.00 0.39 O ATOM 957 CB CYS A 67 -1.339 4.899 -2.995 1.00 0.33 C ATOM 958 SG CYS A 67 -1.602 3.864 -1.534 1.00 1.29 S ATOM 0 H CYS A 67 -0.927 5.983 -5.188 1.00 0.31 H new ATOM 0 HA CYS A 67 0.467 4.038 -3.728 1.00 0.32 H new ATOM 0 HB2 CYS A 67 -0.822 5.810 -2.692 1.00 0.33 H new ATOM 0 HB3 CYS A 67 -2.309 5.200 -3.392 1.00 0.33 H new ATOM 0 HG CYS A 67 -2.782 3.322 -1.593 1.00 1.29 H new ATOM 964 N ARG A 68 -2.203 3.025 -5.361 1.00 0.38 N ATOM 965 CA ARG A 68 -2.853 1.879 -5.972 1.00 0.45 C ATOM 966 C ARG A 68 -1.854 1.113 -6.847 1.00 0.42 C ATOM 967 O ARG A 68 -1.644 -0.086 -6.661 1.00 0.48 O ATOM 968 CB ARG A 68 -4.048 2.381 -6.800 1.00 0.60 C ATOM 969 CG ARG A 68 -4.969 1.301 -7.355 1.00 1.00 C ATOM 970 CD ARG A 68 -4.374 0.583 -8.555 1.00 1.21 C ATOM 971 NE ARG A 68 -3.988 1.510 -9.619 1.00 1.92 N ATOM 972 CZ ARG A 68 -3.280 1.157 -10.687 1.00 2.48 C ATOM 973 NH1 ARG A 68 -2.953 -0.111 -10.880 1.00 2.64 N ATOM 974 NH2 ARG A 68 -2.916 2.070 -11.577 1.00 3.39 N ATOM 0 H ARG A 68 -2.604 3.922 -5.635 1.00 0.38 H new ATOM 0 HA ARG A 68 -3.212 1.193 -5.205 1.00 0.45 H new ATOM 0 HB2 ARG A 68 -4.640 3.053 -6.179 1.00 0.60 H new ATOM 0 HB3 ARG A 68 -3.667 2.971 -7.634 1.00 0.60 H new ATOM 0 HG2 ARG A 68 -5.183 0.574 -6.571 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -5.920 1.751 -7.641 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -3.501 0.012 -8.238 1.00 1.21 H new ATOM 0 HD3 ARG A 68 -5.099 -0.132 -8.944 1.00 1.21 H new ATOM 0 HE ARG A 68 -4.279 2.484 -9.536 1.00 1.92 H new ATOM 0 HH11 ARG A 68 -3.244 -0.821 -10.208 1.00 2.64 H new ATOM 0 HH12 ARG A 68 -2.410 -0.378 -11.701 1.00 2.64 H new ATOM 0 HH21 ARG A 68 -3.179 3.046 -11.443 1.00 3.39 H new ATOM 0 HH22 ARG A 68 -2.373 1.796 -12.396 1.00 3.39 H new ATOM 988 N GLU A 69 -1.236 1.835 -7.782 1.00 0.38 N ATOM 989 CA GLU A 69 -0.299 1.263 -8.754 1.00 0.37 C ATOM 990 C GLU A 69 0.811 0.452 -8.082 1.00 0.31 C ATOM 991 O GLU A 69 1.098 -0.680 -8.475 1.00 0.34 O ATOM 992 CB GLU A 69 0.311 2.394 -9.607 1.00 0.38 C ATOM 993 CG GLU A 69 1.387 1.937 -10.581 1.00 0.67 C ATOM 994 CD GLU A 69 0.892 0.925 -11.595 1.00 1.20 C ATOM 995 OE1 GLU A 69 -0.008 1.268 -12.389 1.00 1.19 O ATOM 996 OE2 GLU A 69 1.389 -0.221 -11.597 1.00 2.08 O ATOM 0 H GLU A 69 -1.371 2.840 -7.888 1.00 0.38 H new ATOM 0 HA GLU A 69 -0.857 0.576 -9.390 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -0.487 2.880 -10.168 1.00 0.38 H new ATOM 0 HB3 GLU A 69 0.736 3.145 -8.942 1.00 0.38 H new ATOM 0 HG2 GLU A 69 1.781 2.805 -11.109 1.00 0.67 H new ATOM 0 HG3 GLU A 69 2.214 1.503 -10.019 1.00 0.67 H new ATOM 1003 N LEU A 70 1.421 1.025 -7.063 1.00 0.24 N ATOM 1004 CA LEU A 70 2.586 0.417 -6.442 1.00 0.21 C ATOM 1005 C LEU A 70 2.230 -0.755 -5.537 1.00 0.22 C ATOM 1006 O LEU A 70 2.961 -1.741 -5.491 1.00 0.23 O ATOM 1007 CB LEU A 70 3.368 1.458 -5.656 1.00 0.20 C ATOM 1008 CG LEU A 70 4.136 2.475 -6.499 1.00 0.21 C ATOM 1009 CD1 LEU A 70 4.919 3.397 -5.588 1.00 0.22 C ATOM 1010 CD2 LEU A 70 5.070 1.766 -7.471 1.00 0.24 C ATOM 0 H LEU A 70 1.131 1.910 -6.646 1.00 0.24 H new ATOM 0 HA LEU A 70 3.202 0.023 -7.250 1.00 0.21 H new ATOM 0 HB2 LEU A 70 2.675 1.997 -5.010 1.00 0.20 H new ATOM 0 HB3 LEU A 70 4.075 0.942 -5.006 1.00 0.20 H new ATOM 0 HG LEU A 70 3.427 3.065 -7.081 1.00 0.21 H new ATOM 0 HD11 LEU A 70 5.467 4.123 -6.189 1.00 0.22 H new ATOM 0 HD12 LEU A 70 4.232 3.921 -4.923 1.00 0.22 H new ATOM 0 HD13 LEU A 70 5.622 2.812 -4.995 1.00 0.22 H new ATOM 0 HD21 LEU A 70 5.609 2.506 -8.063 1.00 0.24 H new ATOM 0 HD22 LEU A 70 5.783 1.159 -6.913 1.00 0.24 H new ATOM 0 HD23 LEU A 70 4.488 1.125 -8.133 1.00 0.24 H new ATOM 1022 N CYS A 71 1.120 -0.661 -4.819 1.00 0.24 N ATOM 1023 CA CYS A 71 0.763 -1.701 -3.862 1.00 0.25 C ATOM 1024 C CYS A 71 0.495 -3.036 -4.549 1.00 0.24 C ATOM 1025 O CYS A 71 1.004 -4.062 -4.109 1.00 0.23 O ATOM 1026 CB CYS A 71 -0.430 -1.281 -3.014 1.00 0.32 C ATOM 1027 SG CYS A 71 -0.087 0.076 -1.873 1.00 1.10 S ATOM 0 H CYS A 71 0.458 0.113 -4.878 1.00 0.24 H new ATOM 0 HA CYS A 71 1.620 -1.838 -3.202 1.00 0.25 H new ATOM 0 HB2 CYS A 71 -1.246 -0.988 -3.675 1.00 0.32 H new ATOM 0 HB3 CYS A 71 -0.776 -2.142 -2.443 1.00 0.32 H new ATOM 0 HG CYS A 71 -0.405 1.205 -2.434 1.00 1.10 H new ATOM 1033 N GLU A 72 -0.276 -3.032 -5.634 1.00 0.25 N ATOM 1034 CA GLU A 72 -0.555 -4.273 -6.356 1.00 0.26 C ATOM 1035 C GLU A 72 0.711 -4.811 -7.018 1.00 0.23 C ATOM 1036 O GLU A 72 0.894 -6.021 -7.131 1.00 0.25 O ATOM 1037 CB GLU A 72 -1.670 -4.087 -7.390 1.00 0.34 C ATOM 1038 CG GLU A 72 -1.586 -2.792 -8.170 1.00 0.87 C ATOM 1039 CD GLU A 72 -2.364 -2.848 -9.465 1.00 1.36 C ATOM 1040 OE1 GLU A 72 -1.847 -3.402 -10.456 1.00 1.68 O ATOM 1041 OE2 GLU A 72 -3.505 -2.342 -9.497 1.00 2.09 O ATOM 0 H GLU A 72 -0.713 -2.199 -6.028 1.00 0.25 H new ATOM 0 HA GLU A 72 -0.902 -5.005 -5.627 1.00 0.26 H new ATOM 0 HB2 GLU A 72 -1.643 -4.922 -8.090 1.00 0.34 H new ATOM 0 HB3 GLU A 72 -2.633 -4.129 -6.881 1.00 0.34 H new ATOM 0 HG2 GLU A 72 -1.966 -1.976 -7.556 1.00 0.87 H new ATOM 0 HG3 GLU A 72 -0.541 -2.568 -8.386 1.00 0.87 H new ATOM 1048 N LYS A 73 1.591 -3.907 -7.442 1.00 0.23 N ATOM 1049 CA LYS A 73 2.897 -4.298 -7.961 1.00 0.23 C ATOM 1050 C LYS A 73 3.685 -5.004 -6.872 1.00 0.20 C ATOM 1051 O LYS A 73 4.226 -6.087 -7.082 1.00 0.21 O ATOM 1052 CB LYS A 73 3.677 -3.070 -8.457 1.00 0.27 C ATOM 1053 CG LYS A 73 5.151 -3.331 -8.783 1.00 0.33 C ATOM 1054 CD LYS A 73 5.369 -4.005 -10.139 1.00 0.57 C ATOM 1055 CE LYS A 73 5.021 -5.487 -10.129 1.00 0.60 C ATOM 1056 NZ LYS A 73 5.364 -6.146 -11.415 1.00 1.23 N ATOM 0 H LYS A 73 1.423 -2.901 -7.436 1.00 0.23 H new ATOM 0 HA LYS A 73 2.750 -4.974 -8.803 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.186 -2.682 -9.349 1.00 0.27 H new ATOM 0 HB3 LYS A 73 3.620 -2.290 -7.697 1.00 0.27 H new ATOM 0 HG2 LYS A 73 5.691 -2.384 -8.766 1.00 0.33 H new ATOM 0 HG3 LYS A 73 5.582 -3.958 -8.002 1.00 0.33 H new ATOM 0 HD2 LYS A 73 4.763 -3.500 -10.891 1.00 0.57 H new ATOM 0 HD3 LYS A 73 6.411 -3.884 -10.435 1.00 0.57 H new ATOM 0 HE2 LYS A 73 5.554 -5.979 -9.316 1.00 0.60 H new ATOM 0 HE3 LYS A 73 3.956 -5.608 -9.932 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 5.005 -7.122 -11.412 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 4.931 -5.620 -12.201 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 6.397 -6.158 -11.534 1.00 1.23 H new ATOM 1070 N ALA A 74 3.736 -4.378 -5.705 1.00 0.19 N ATOM 1071 CA ALA A 74 4.403 -4.956 -4.554 1.00 0.17 C ATOM 1072 C ALA A 74 3.793 -6.296 -4.203 1.00 0.16 C ATOM 1073 O ALA A 74 4.502 -7.230 -3.869 1.00 0.16 O ATOM 1074 CB ALA A 74 4.335 -4.013 -3.374 1.00 0.18 C ATOM 0 H ALA A 74 3.319 -3.463 -5.533 1.00 0.19 H new ATOM 0 HA ALA A 74 5.451 -5.114 -4.807 1.00 0.17 H new ATOM 0 HB1 ALA A 74 4.840 -4.463 -2.519 1.00 0.18 H new ATOM 0 HB2 ALA A 74 4.823 -3.073 -3.631 1.00 0.18 H new ATOM 0 HB3 ALA A 74 3.292 -3.823 -3.120 1.00 0.18 H new ATOM 1080 N ILE A 75 2.477 -6.384 -4.287 1.00 0.16 N ATOM 1081 CA ILE A 75 1.783 -7.635 -4.032 1.00 0.16 C ATOM 1082 C ILE A 75 2.198 -8.700 -5.030 1.00 0.17 C ATOM 1083 O ILE A 75 2.444 -9.844 -4.655 1.00 0.18 O ATOM 1084 CB ILE A 75 0.257 -7.452 -4.068 1.00 0.19 C ATOM 1085 CG1 ILE A 75 -0.178 -6.566 -2.909 1.00 0.20 C ATOM 1086 CG2 ILE A 75 -0.454 -8.795 -4.010 1.00 0.23 C ATOM 1087 CD1 ILE A 75 -1.669 -6.403 -2.803 1.00 0.23 C ATOM 0 H ILE A 75 1.867 -5.604 -4.530 1.00 0.16 H new ATOM 0 HA ILE A 75 2.065 -7.960 -3.031 1.00 0.16 H new ATOM 0 HB ILE A 75 -0.016 -6.972 -5.008 1.00 0.19 H new ATOM 0 HG12 ILE A 75 0.200 -6.988 -1.978 1.00 0.20 H new ATOM 0 HG13 ILE A 75 0.279 -5.583 -3.022 1.00 0.20 H new ATOM 0 HG21 ILE A 75 -1.532 -8.637 -4.037 1.00 0.23 H new ATOM 0 HG22 ILE A 75 -0.155 -9.402 -4.864 1.00 0.23 H new ATOM 0 HG23 ILE A 75 -0.185 -9.309 -3.087 1.00 0.23 H new ATOM 0 HD11 ILE A 75 -1.905 -5.760 -1.955 1.00 0.23 H new ATOM 0 HD12 ILE A 75 -2.052 -5.952 -3.719 1.00 0.23 H new ATOM 0 HD13 ILE A 75 -2.132 -7.379 -2.658 1.00 0.23 H new ATOM 1099 N GLU A 76 2.290 -8.319 -6.296 1.00 0.18 N ATOM 1100 CA GLU A 76 2.744 -9.242 -7.325 1.00 0.21 C ATOM 1101 C GLU A 76 4.159 -9.720 -7.002 1.00 0.20 C ATOM 1102 O GLU A 76 4.489 -10.893 -7.167 1.00 0.24 O ATOM 1103 CB GLU A 76 2.708 -8.568 -8.696 1.00 0.24 C ATOM 1104 CG GLU A 76 2.965 -9.526 -9.849 1.00 0.77 C ATOM 1105 CD GLU A 76 2.845 -8.862 -11.204 1.00 1.47 C ATOM 1106 OE1 GLU A 76 3.833 -8.253 -11.659 1.00 2.35 O ATOM 1107 OE2 GLU A 76 1.761 -8.952 -11.824 1.00 1.62 O ATOM 0 H GLU A 76 2.058 -7.385 -6.633 1.00 0.18 H new ATOM 0 HA GLU A 76 2.077 -10.104 -7.349 1.00 0.21 H new ATOM 0 HB2 GLU A 76 1.735 -8.097 -8.835 1.00 0.24 H new ATOM 0 HB3 GLU A 76 3.453 -7.773 -8.721 1.00 0.24 H new ATOM 0 HG2 GLU A 76 3.963 -9.952 -9.746 1.00 0.77 H new ATOM 0 HG3 GLU A 76 2.258 -10.354 -9.792 1.00 0.77 H new ATOM 1114 N VAL A 77 4.973 -8.791 -6.516 1.00 0.21 N ATOM 1115 CA VAL A 77 6.344 -9.072 -6.105 1.00 0.22 C ATOM 1116 C VAL A 77 6.384 -9.962 -4.862 1.00 0.21 C ATOM 1117 O VAL A 77 7.154 -10.917 -4.797 1.00 0.24 O ATOM 1118 CB VAL A 77 7.090 -7.748 -5.823 1.00 0.22 C ATOM 1119 CG1 VAL A 77 8.416 -7.990 -5.124 1.00 0.22 C ATOM 1120 CG2 VAL A 77 7.300 -6.978 -7.117 1.00 0.25 C ATOM 0 H VAL A 77 4.699 -7.816 -6.395 1.00 0.21 H new ATOM 0 HA VAL A 77 6.836 -9.605 -6.919 1.00 0.22 H new ATOM 0 HB VAL A 77 6.471 -7.152 -5.152 1.00 0.22 H new ATOM 0 HG11 VAL A 77 8.911 -7.036 -4.943 1.00 0.22 H new ATOM 0 HG12 VAL A 77 8.240 -8.494 -4.174 1.00 0.22 H new ATOM 0 HG13 VAL A 77 9.050 -8.614 -5.753 1.00 0.22 H new ATOM 0 HG21 VAL A 77 7.826 -6.047 -6.905 1.00 0.25 H new ATOM 0 HG22 VAL A 77 7.891 -7.580 -7.807 1.00 0.25 H new ATOM 0 HG23 VAL A 77 6.333 -6.754 -7.568 1.00 0.25 H new ATOM 1130 N GLY A 78 5.547 -9.646 -3.886 1.00 0.19 N ATOM 1131 CA GLY A 78 5.523 -10.396 -2.648 1.00 0.21 C ATOM 1132 C GLY A 78 4.985 -11.794 -2.839 1.00 0.21 C ATOM 1133 O GLY A 78 5.553 -12.761 -2.343 1.00 0.27 O ATOM 0 H GLY A 78 4.879 -8.877 -3.930 1.00 0.19 H new ATOM 0 HA2 GLY A 78 6.531 -10.449 -2.238 1.00 0.21 H new ATOM 0 HA3 GLY A 78 4.909 -9.869 -1.918 1.00 0.21 H new ATOM 1137 N ARG A 79 3.898 -11.902 -3.580 1.00 0.21 N ATOM 1138 CA ARG A 79 3.290 -13.190 -3.873 1.00 0.28 C ATOM 1139 C ARG A 79 4.233 -14.022 -4.742 1.00 0.28 C ATOM 1140 O ARG A 79 4.162 -15.248 -4.769 1.00 0.33 O ATOM 1141 CB ARG A 79 1.944 -12.964 -4.562 1.00 0.39 C ATOM 1142 CG ARG A 79 1.118 -14.217 -4.768 1.00 0.81 C ATOM 1143 CD ARG A 79 -0.349 -13.865 -4.944 1.00 0.89 C ATOM 1144 NE ARG A 79 -1.153 -15.014 -5.357 1.00 1.57 N ATOM 1145 CZ ARG A 79 -2.049 -15.619 -4.575 1.00 2.03 C ATOM 1146 NH1 ARG A 79 -2.205 -15.234 -3.312 1.00 2.20 N ATOM 1147 NH2 ARG A 79 -2.779 -16.617 -5.054 1.00 2.63 N ATOM 0 H ARG A 79 3.413 -11.106 -3.994 1.00 0.21 H new ATOM 0 HA ARG A 79 3.115 -13.742 -2.950 1.00 0.28 H new ATOM 0 HB2 ARG A 79 1.363 -12.256 -3.971 1.00 0.39 H new ATOM 0 HB3 ARG A 79 2.122 -12.499 -5.532 1.00 0.39 H new ATOM 0 HG2 ARG A 79 1.476 -14.756 -5.645 1.00 0.81 H new ATOM 0 HG3 ARG A 79 1.238 -14.883 -3.914 1.00 0.81 H new ATOM 0 HD2 ARG A 79 -0.740 -13.470 -4.006 1.00 0.89 H new ATOM 0 HD3 ARG A 79 -0.443 -13.073 -5.687 1.00 0.89 H new ATOM 0 HE ARG A 79 -1.021 -15.376 -6.302 1.00 1.57 H new ATOM 0 HH11 ARG A 79 -1.638 -14.473 -2.937 1.00 2.20 H new ATOM 0 HH12 ARG A 79 -2.891 -15.699 -2.718 1.00 2.20 H new ATOM 0 HH21 ARG A 79 -2.655 -16.922 -6.020 1.00 2.63 H new ATOM 0 HH22 ARG A 79 -3.464 -17.080 -4.457 1.00 2.63 H new ATOM 1161 N GLU A 80 5.126 -13.328 -5.432 1.00 0.27 N ATOM 1162 CA GLU A 80 6.175 -13.959 -6.217 1.00 0.32 C ATOM 1163 C GLU A 80 7.308 -14.444 -5.307 1.00 0.31 C ATOM 1164 O GLU A 80 7.693 -15.612 -5.337 1.00 0.37 O ATOM 1165 CB GLU A 80 6.708 -12.946 -7.238 1.00 0.36 C ATOM 1166 CG GLU A 80 7.900 -13.422 -8.048 1.00 0.57 C ATOM 1167 CD GLU A 80 7.597 -14.648 -8.884 1.00 1.18 C ATOM 1168 OE1 GLU A 80 6.972 -14.509 -9.954 1.00 1.22 O ATOM 1169 OE2 GLU A 80 7.975 -15.762 -8.470 1.00 1.96 O ATOM 0 H GLU A 80 5.143 -12.309 -5.463 1.00 0.27 H new ATOM 0 HA GLU A 80 5.768 -14.825 -6.738 1.00 0.32 H new ATOM 0 HB2 GLU A 80 5.902 -12.685 -7.924 1.00 0.36 H new ATOM 0 HB3 GLU A 80 6.986 -12.033 -6.711 1.00 0.36 H new ATOM 0 HG2 GLU A 80 8.233 -12.616 -8.702 1.00 0.57 H new ATOM 0 HG3 GLU A 80 8.726 -13.645 -7.372 1.00 0.57 H new ATOM 1176 N ASN A 81 7.812 -13.544 -4.476 1.00 0.29 N ATOM 1177 CA ASN A 81 8.968 -13.832 -3.628 1.00 0.35 C ATOM 1178 C ASN A 81 8.543 -14.457 -2.292 1.00 0.35 C ATOM 1179 O ASN A 81 9.298 -14.458 -1.321 1.00 0.49 O ATOM 1180 CB ASN A 81 9.764 -12.546 -3.396 1.00 0.40 C ATOM 1181 CG ASN A 81 11.201 -12.785 -2.948 1.00 0.55 C ATOM 1182 OD1 ASN A 81 12.105 -12.916 -3.773 1.00 1.35 O ATOM 1183 ND2 ASN A 81 11.428 -12.824 -1.646 1.00 1.13 N ATOM 0 H ASN A 81 7.438 -12.601 -4.368 1.00 0.29 H new ATOM 0 HA ASN A 81 9.599 -14.559 -4.138 1.00 0.35 H new ATOM 0 HB2 ASN A 81 9.773 -11.964 -4.317 1.00 0.40 H new ATOM 0 HB3 ASN A 81 9.254 -11.945 -2.644 1.00 0.40 H new ATOM 0 HD21 ASN A 81 12.376 -12.966 -1.298 1.00 1.13 H new ATOM 0 HD22 ASN A 81 10.655 -12.712 -0.990 1.00 1.13 H new ATOM 1190 N ARG A 82 7.316 -14.982 -2.259 1.00 0.32 N ATOM 1191 CA ARG A 82 6.788 -15.693 -1.091 1.00 0.37 C ATOM 1192 C ARG A 82 6.871 -14.827 0.166 1.00 0.32 C ATOM 1193 O ARG A 82 7.295 -15.278 1.233 1.00 0.38 O ATOM 1194 CB ARG A 82 7.539 -17.001 -0.907 1.00 0.47 C ATOM 1195 CG ARG A 82 7.548 -17.838 -2.170 1.00 1.04 C ATOM 1196 CD ARG A 82 7.675 -19.302 -1.847 1.00 1.99 C ATOM 1197 NE ARG A 82 7.693 -20.130 -3.054 1.00 2.83 N ATOM 1198 CZ ARG A 82 8.796 -20.659 -3.588 1.00 3.77 C ATOM 1199 NH1 ARG A 82 9.983 -20.416 -3.049 1.00 4.01 N ATOM 1200 NH2 ARG A 82 8.713 -21.422 -4.670 1.00 4.67 N ATOM 0 H ARG A 82 6.661 -14.927 -3.039 1.00 0.32 H new ATOM 0 HA ARG A 82 5.734 -15.914 -1.261 1.00 0.37 H new ATOM 0 HB2 ARG A 82 8.565 -16.790 -0.606 1.00 0.47 H new ATOM 0 HB3 ARG A 82 7.080 -17.571 -0.099 1.00 0.47 H new ATOM 0 HG2 ARG A 82 6.630 -17.664 -2.732 1.00 1.04 H new ATOM 0 HG3 ARG A 82 8.376 -17.530 -2.809 1.00 1.04 H new ATOM 0 HD2 ARG A 82 8.590 -19.470 -1.278 1.00 1.99 H new ATOM 0 HD3 ARG A 82 6.844 -19.606 -1.211 1.00 1.99 H new ATOM 0 HE ARG A 82 6.804 -20.315 -3.518 1.00 2.83 H new ATOM 0 HH11 ARG A 82 10.056 -19.823 -2.223 1.00 4.01 H new ATOM 0 HH12 ARG A 82 10.823 -20.823 -3.461 1.00 4.01 H new ATOM 0 HH21 ARG A 82 7.805 -21.606 -5.096 1.00 4.67 H new ATOM 0 HH22 ARG A 82 9.558 -21.825 -5.076 1.00 4.67 H new ATOM 1214 N GLU A 83 6.451 -13.581 0.018 1.00 0.27 N ATOM 1215 CA GLU A 83 6.588 -12.578 1.059 1.00 0.27 C ATOM 1216 C GLU A 83 5.347 -12.533 1.951 1.00 0.25 C ATOM 1217 O GLU A 83 4.313 -13.121 1.622 1.00 0.25 O ATOM 1218 CB GLU A 83 6.840 -11.212 0.405 1.00 0.28 C ATOM 1219 CG GLU A 83 7.351 -10.143 1.357 1.00 0.43 C ATOM 1220 CD GLU A 83 8.521 -10.619 2.187 1.00 0.94 C ATOM 1221 OE1 GLU A 83 9.648 -10.652 1.659 1.00 1.15 O ATOM 1222 OE2 GLU A 83 8.320 -10.960 3.373 1.00 1.60 O ATOM 0 H GLU A 83 6.004 -13.236 -0.832 1.00 0.27 H new ATOM 0 HA GLU A 83 7.433 -12.838 1.696 1.00 0.27 H new ATOM 0 HB2 GLU A 83 7.562 -11.337 -0.402 1.00 0.28 H new ATOM 0 HB3 GLU A 83 5.912 -10.864 -0.048 1.00 0.28 H new ATOM 0 HG2 GLU A 83 7.649 -9.264 0.785 1.00 0.43 H new ATOM 0 HG3 GLU A 83 6.542 -9.834 2.019 1.00 0.43 H new ATOM 1229 N ASP A 84 5.490 -11.851 3.085 1.00 0.26 N ATOM 1230 CA ASP A 84 4.433 -11.692 4.087 1.00 0.26 C ATOM 1231 C ASP A 84 3.083 -11.343 3.447 1.00 0.25 C ATOM 1232 O ASP A 84 2.901 -10.246 2.917 1.00 0.26 O ATOM 1233 CB ASP A 84 4.848 -10.586 5.063 1.00 0.29 C ATOM 1234 CG ASP A 84 4.013 -10.549 6.325 1.00 0.44 C ATOM 1235 OD1 ASP A 84 2.792 -10.299 6.226 1.00 0.68 O ATOM 1236 OD2 ASP A 84 4.558 -10.788 7.417 1.00 0.82 O ATOM 0 H ASP A 84 6.360 -11.383 3.340 1.00 0.26 H new ATOM 0 HA ASP A 84 4.306 -12.640 4.610 1.00 0.26 H new ATOM 0 HB2 ASP A 84 5.895 -10.725 5.333 1.00 0.29 H new ATOM 0 HB3 ASP A 84 4.774 -9.622 4.560 1.00 0.29 H new ATOM 1241 N TYR A 85 2.137 -12.282 3.501 1.00 0.26 N ATOM 1242 CA TYR A 85 0.821 -12.072 2.897 1.00 0.26 C ATOM 1243 C TYR A 85 -0.019 -11.116 3.734 1.00 0.27 C ATOM 1244 O TYR A 85 -0.955 -10.493 3.234 1.00 0.26 O ATOM 1245 CB TYR A 85 0.073 -13.397 2.719 1.00 0.27 C ATOM 1246 CG TYR A 85 -0.245 -14.110 4.016 1.00 0.29 C ATOM 1247 CD1 TYR A 85 -1.289 -13.683 4.833 1.00 0.34 C ATOM 1248 CD2 TYR A 85 0.492 -15.212 4.417 1.00 0.33 C ATOM 1249 CE1 TYR A 85 -1.579 -14.336 6.013 1.00 0.37 C ATOM 1250 CE2 TYR A 85 0.208 -15.870 5.596 1.00 0.37 C ATOM 1251 CZ TYR A 85 -0.829 -15.429 6.392 1.00 0.38 C ATOM 1252 OH TYR A 85 -1.113 -16.081 7.569 1.00 0.44 O ATOM 0 H TYR A 85 2.256 -13.189 3.953 1.00 0.26 H new ATOM 0 HA TYR A 85 0.984 -11.630 1.914 1.00 0.26 H new ATOM 0 HB2 TYR A 85 -0.858 -13.207 2.185 1.00 0.27 H new ATOM 0 HB3 TYR A 85 0.672 -14.058 2.092 1.00 0.27 H new ATOM 0 HD1 TYR A 85 -1.880 -12.828 4.538 1.00 0.34 H new ATOM 0 HD2 TYR A 85 1.303 -15.562 3.796 1.00 0.33 H new ATOM 0 HE1 TYR A 85 -2.390 -13.992 6.637 1.00 0.37 H new ATOM 0 HE2 TYR A 85 0.795 -16.726 5.894 1.00 0.37 H new ATOM 0 HH TYR A 85 -0.492 -16.830 7.686 1.00 0.44 H new ATOM 1262 N ARG A 86 0.311 -11.008 5.012 1.00 0.30 N ATOM 1263 CA ARG A 86 -0.388 -10.093 5.892 1.00 0.33 C ATOM 1264 C ARG A 86 -0.046 -8.669 5.485 1.00 0.32 C ATOM 1265 O ARG A 86 -0.901 -7.784 5.493 1.00 0.32 O ATOM 1266 CB ARG A 86 -0.023 -10.360 7.348 1.00 0.40 C ATOM 1267 CG ARG A 86 -0.466 -11.728 7.833 1.00 0.44 C ATOM 1268 CD ARG A 86 -0.425 -11.808 9.341 1.00 0.55 C ATOM 1269 NE ARG A 86 -0.967 -13.067 9.849 1.00 1.57 N ATOM 1270 CZ ARG A 86 -0.718 -13.545 11.067 1.00 1.98 C ATOM 1271 NH1 ARG A 86 0.103 -12.897 11.881 1.00 1.57 N ATOM 1272 NH2 ARG A 86 -1.279 -14.678 11.467 1.00 3.04 N ATOM 0 H ARG A 86 1.056 -11.542 5.459 1.00 0.30 H new ATOM 0 HA ARG A 86 -1.464 -10.241 5.801 1.00 0.33 H new ATOM 0 HB2 ARG A 86 1.057 -10.271 7.468 1.00 0.40 H new ATOM 0 HB3 ARG A 86 -0.477 -9.594 7.976 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -1.478 -11.932 7.482 1.00 0.44 H new ATOM 0 HG3 ARG A 86 0.180 -12.496 7.407 1.00 0.44 H new ATOM 0 HD2 ARG A 86 0.605 -11.696 9.680 1.00 0.55 H new ATOM 0 HD3 ARG A 86 -0.991 -10.977 9.761 1.00 0.55 H new ATOM 0 HE ARG A 86 -1.572 -13.612 9.234 1.00 1.57 H new ATOM 0 HH11 ARG A 86 0.546 -12.030 11.575 1.00 1.57 H new ATOM 0 HH12 ARG A 86 0.292 -13.265 12.813 1.00 1.57 H new ATOM 0 HH21 ARG A 86 -1.904 -15.187 10.841 1.00 3.04 H new ATOM 0 HH22 ARG A 86 -1.086 -15.041 12.400 1.00 3.04 H new ATOM 1286 N GLN A 87 1.212 -8.486 5.100 1.00 0.33 N ATOM 1287 CA GLN A 87 1.694 -7.242 4.516 1.00 0.33 C ATOM 1288 C GLN A 87 1.011 -7.000 3.169 1.00 0.28 C ATOM 1289 O GLN A 87 0.677 -5.867 2.820 1.00 0.28 O ATOM 1290 CB GLN A 87 3.215 -7.322 4.344 1.00 0.39 C ATOM 1291 CG GLN A 87 3.860 -6.080 3.751 1.00 0.49 C ATOM 1292 CD GLN A 87 3.611 -4.837 4.580 1.00 0.57 C ATOM 1293 OE1 GLN A 87 4.373 -4.520 5.492 1.00 1.14 O ATOM 1294 NE2 GLN A 87 2.545 -4.119 4.265 1.00 1.46 N ATOM 0 H GLN A 87 1.931 -9.204 5.186 1.00 0.33 H new ATOM 0 HA GLN A 87 1.455 -6.408 5.176 1.00 0.33 H new ATOM 0 HB2 GLN A 87 3.666 -7.518 5.317 1.00 0.39 H new ATOM 0 HB3 GLN A 87 3.449 -8.175 3.706 1.00 0.39 H new ATOM 0 HG2 GLN A 87 4.934 -6.242 3.661 1.00 0.49 H new ATOM 0 HG3 GLN A 87 3.476 -5.922 2.743 1.00 0.49 H new ATOM 0 HE21 GLN A 87 1.938 -4.416 3.501 1.00 1.46 H new ATOM 0 HE22 GLN A 87 2.331 -3.269 4.786 1.00 1.46 H new ATOM 1303 N ILE A 88 0.808 -8.082 2.425 1.00 0.25 N ATOM 1304 CA ILE A 88 0.064 -8.038 1.170 1.00 0.22 C ATOM 1305 C ILE A 88 -1.347 -7.511 1.385 1.00 0.20 C ATOM 1306 O ILE A 88 -1.843 -6.700 0.605 1.00 0.20 O ATOM 1307 CB ILE A 88 0.025 -9.435 0.507 1.00 0.21 C ATOM 1308 CG1 ILE A 88 1.287 -9.628 -0.307 1.00 0.22 C ATOM 1309 CG2 ILE A 88 -1.202 -9.612 -0.368 1.00 0.20 C ATOM 1310 CD1 ILE A 88 1.455 -10.992 -0.902 1.00 0.23 C ATOM 0 H ILE A 88 1.152 -9.010 2.672 1.00 0.25 H new ATOM 0 HA ILE A 88 0.582 -7.351 0.500 1.00 0.22 H new ATOM 0 HB ILE A 88 -0.032 -10.189 1.292 1.00 0.21 H new ATOM 0 HG12 ILE A 88 1.298 -8.893 -1.112 1.00 0.22 H new ATOM 0 HG13 ILE A 88 2.147 -9.417 0.329 1.00 0.22 H new ATOM 0 HG21 ILE A 88 -1.190 -10.606 -0.814 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.101 -9.497 0.238 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -1.198 -8.860 -1.157 1.00 0.20 H new ATOM 0 HD11 ILE A 88 2.387 -11.031 -1.466 1.00 0.23 H new ATOM 0 HD12 ILE A 88 1.481 -11.736 -0.106 1.00 0.23 H new ATOM 0 HD13 ILE A 88 0.619 -11.204 -1.569 1.00 0.23 H new ATOM 1322 N ALA A 89 -1.984 -7.963 2.448 1.00 0.21 N ATOM 1323 CA ALA A 89 -3.312 -7.490 2.790 1.00 0.21 C ATOM 1324 C ALA A 89 -3.290 -6.002 3.113 1.00 0.22 C ATOM 1325 O ALA A 89 -4.228 -5.275 2.794 1.00 0.21 O ATOM 1326 CB ALA A 89 -3.860 -8.284 3.955 1.00 0.24 C ATOM 0 H ALA A 89 -1.603 -8.658 3.090 1.00 0.21 H new ATOM 0 HA ALA A 89 -3.966 -7.635 1.930 1.00 0.21 H new ATOM 0 HB1 ALA A 89 -4.857 -7.922 4.205 1.00 0.24 H new ATOM 0 HB2 ALA A 89 -3.914 -9.338 3.683 1.00 0.24 H new ATOM 0 HB3 ALA A 89 -3.204 -8.165 4.817 1.00 0.24 H new ATOM 1332 N LYS A 90 -2.208 -5.549 3.733 1.00 0.24 N ATOM 1333 CA LYS A 90 -2.044 -4.132 4.026 1.00 0.27 C ATOM 1334 C LYS A 90 -1.868 -3.362 2.723 1.00 0.24 C ATOM 1335 O LYS A 90 -2.329 -2.229 2.585 1.00 0.26 O ATOM 1336 CB LYS A 90 -0.840 -3.897 4.943 1.00 0.33 C ATOM 1337 CG LYS A 90 -0.836 -4.764 6.195 1.00 0.46 C ATOM 1338 CD LYS A 90 -2.129 -4.637 6.989 1.00 0.50 C ATOM 1339 CE LYS A 90 -2.349 -3.217 7.498 1.00 0.67 C ATOM 1340 NZ LYS A 90 -1.286 -2.788 8.447 1.00 1.26 N ATOM 0 H LYS A 90 -1.435 -6.139 4.041 1.00 0.24 H new ATOM 0 HA LYS A 90 -2.935 -3.777 4.543 1.00 0.27 H new ATOM 0 HB2 LYS A 90 0.074 -4.085 4.380 1.00 0.33 H new ATOM 0 HB3 LYS A 90 -0.822 -2.848 5.240 1.00 0.33 H new ATOM 0 HG2 LYS A 90 -0.687 -5.806 5.912 1.00 0.46 H new ATOM 0 HG3 LYS A 90 0.006 -4.481 6.827 1.00 0.46 H new ATOM 0 HD2 LYS A 90 -2.970 -4.932 6.362 1.00 0.50 H new ATOM 0 HD3 LYS A 90 -2.105 -5.325 7.834 1.00 0.50 H new ATOM 0 HE2 LYS A 90 -2.377 -2.530 6.652 1.00 0.67 H new ATOM 0 HE3 LYS A 90 -3.319 -3.156 7.991 1.00 0.67 H new ATOM 0 HZ1 LYS A 90 -1.562 -1.891 8.895 1.00 1.26 H new ATOM 0 HZ2 LYS A 90 -1.160 -3.516 9.179 1.00 1.26 H new ATOM 0 HZ3 LYS A 90 -0.393 -2.657 7.931 1.00 1.26 H new ATOM 1354 N ALA A 91 -1.204 -3.998 1.764 1.00 0.23 N ATOM 1355 CA ALA A 91 -1.057 -3.438 0.430 1.00 0.22 C ATOM 1356 C ALA A 91 -2.415 -3.339 -0.246 1.00 0.19 C ATOM 1357 O ALA A 91 -2.760 -2.301 -0.806 1.00 0.20 O ATOM 1358 CB ALA A 91 -0.098 -4.280 -0.399 1.00 0.22 C ATOM 0 H ALA A 91 -0.758 -4.907 1.889 1.00 0.23 H new ATOM 0 HA ALA A 91 -0.639 -2.435 0.513 1.00 0.22 H new ATOM 0 HB1 ALA A 91 -0.000 -3.846 -1.394 1.00 0.22 H new ATOM 0 HB2 ALA A 91 0.878 -4.302 0.085 1.00 0.22 H new ATOM 0 HB3 ALA A 91 -0.485 -5.296 -0.482 1.00 0.22 H new ATOM 1364 N TYR A 92 -3.189 -4.419 -0.168 1.00 0.17 N ATOM 1365 CA TYR A 92 -4.550 -4.427 -0.690 1.00 0.16 C ATOM 1366 C TYR A 92 -5.374 -3.327 -0.061 1.00 0.16 C ATOM 1367 O TYR A 92 -6.177 -2.676 -0.728 1.00 0.16 O ATOM 1368 CB TYR A 92 -5.238 -5.765 -0.425 1.00 0.15 C ATOM 1369 CG TYR A 92 -4.886 -6.859 -1.398 1.00 0.15 C ATOM 1370 CD1 TYR A 92 -5.168 -6.729 -2.751 1.00 0.20 C ATOM 1371 CD2 TYR A 92 -4.280 -8.024 -0.964 1.00 0.16 C ATOM 1372 CE1 TYR A 92 -4.855 -7.738 -3.643 1.00 0.22 C ATOM 1373 CE2 TYR A 92 -3.966 -9.036 -1.845 1.00 0.18 C ATOM 1374 CZ TYR A 92 -4.255 -8.891 -3.183 1.00 0.21 C ATOM 1375 OH TYR A 92 -3.949 -9.905 -4.060 1.00 0.24 O ATOM 0 H TYR A 92 -2.895 -5.300 0.253 1.00 0.17 H new ATOM 0 HA TYR A 92 -4.480 -4.265 -1.766 1.00 0.16 H new ATOM 0 HB2 TYR A 92 -4.982 -6.096 0.581 1.00 0.15 H new ATOM 0 HB3 TYR A 92 -6.317 -5.613 -0.445 1.00 0.15 H new ATOM 0 HD1 TYR A 92 -5.639 -5.827 -3.112 1.00 0.20 H new ATOM 0 HD2 TYR A 92 -4.049 -8.143 0.084 1.00 0.16 H new ATOM 0 HE1 TYR A 92 -5.079 -7.624 -4.693 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -3.495 -9.940 -1.487 1.00 0.18 H new ATOM 0 HH TYR A 92 -3.530 -10.644 -3.572 1.00 0.24 H new ATOM 1385 N ALA A 93 -5.173 -3.125 1.228 1.00 0.20 N ATOM 1386 CA ALA A 93 -5.923 -2.126 1.950 1.00 0.21 C ATOM 1387 C ALA A 93 -5.533 -0.724 1.513 1.00 0.23 C ATOM 1388 O ALA A 93 -6.381 0.149 1.442 1.00 0.26 O ATOM 1389 CB ALA A 93 -5.751 -2.298 3.448 1.00 0.25 C ATOM 0 H ALA A 93 -4.497 -3.641 1.792 1.00 0.20 H new ATOM 0 HA ALA A 93 -6.978 -2.265 1.714 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -6.326 -1.533 3.970 1.00 0.25 H new ATOM 0 HB2 ALA A 93 -6.107 -3.285 3.744 1.00 0.25 H new ATOM 0 HB3 ALA A 93 -4.697 -2.199 3.707 1.00 0.25 H new ATOM 1395 N ARG A 94 -4.254 -0.505 1.207 1.00 0.24 N ATOM 1396 CA ARG A 94 -3.820 0.791 0.690 1.00 0.27 C ATOM 1397 C ARG A 94 -4.329 1.001 -0.730 1.00 0.24 C ATOM 1398 O ARG A 94 -4.621 2.128 -1.130 1.00 0.27 O ATOM 1399 CB ARG A 94 -2.295 0.943 0.723 1.00 0.34 C ATOM 1400 CG ARG A 94 -1.723 1.137 2.117 1.00 0.77 C ATOM 1401 CD ARG A 94 -0.295 1.669 2.072 1.00 0.53 C ATOM 1402 NE ARG A 94 0.256 1.852 3.419 1.00 0.72 N ATOM 1403 CZ ARG A 94 1.425 1.355 3.838 1.00 0.69 C ATOM 1404 NH1 ARG A 94 2.191 0.646 3.020 1.00 1.50 N ATOM 1405 NH2 ARG A 94 1.830 1.580 5.083 1.00 0.88 N ATOM 0 H ARG A 94 -3.511 -1.197 1.306 1.00 0.24 H new ATOM 0 HA ARG A 94 -4.246 1.553 1.343 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -1.842 0.058 0.276 1.00 0.34 H new ATOM 0 HB3 ARG A 94 -2.012 1.794 0.104 1.00 0.34 H new ATOM 0 HG2 ARG A 94 -2.352 1.830 2.675 1.00 0.77 H new ATOM 0 HG3 ARG A 94 -1.741 0.188 2.653 1.00 0.77 H new ATOM 0 HD2 ARG A 94 0.334 0.977 1.512 1.00 0.53 H new ATOM 0 HD3 ARG A 94 -0.277 2.619 1.539 1.00 0.53 H new ATOM 0 HE ARG A 94 -0.292 2.398 4.084 1.00 0.72 H new ATOM 0 HH11 ARG A 94 1.891 0.475 2.060 1.00 1.50 H new ATOM 0 HH12 ARG A 94 3.081 0.272 3.350 1.00 1.50 H new ATOM 0 HH21 ARG A 94 1.250 2.130 5.716 1.00 0.88 H new ATOM 0 HH22 ARG A 94 2.721 1.202 5.406 1.00 0.88 H new ATOM 1419 N ILE A 95 -4.427 -0.085 -1.492 1.00 0.21 N ATOM 1420 CA ILE A 95 -5.040 -0.030 -2.812 1.00 0.21 C ATOM 1421 C ILE A 95 -6.496 0.377 -2.673 1.00 0.20 C ATOM 1422 O ILE A 95 -6.939 1.363 -3.260 1.00 0.24 O ATOM 1423 CB ILE A 95 -4.966 -1.389 -3.544 1.00 0.19 C ATOM 1424 CG1 ILE A 95 -3.519 -1.826 -3.691 1.00 0.26 C ATOM 1425 CG2 ILE A 95 -5.612 -1.299 -4.916 1.00 0.28 C ATOM 1426 CD1 ILE A 95 -3.352 -3.166 -4.363 1.00 0.22 C ATOM 0 H ILE A 95 -4.091 -1.008 -1.218 1.00 0.21 H new ATOM 0 HA ILE A 95 -4.488 0.701 -3.402 1.00 0.21 H new ATOM 0 HB ILE A 95 -5.508 -2.124 -2.949 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -2.978 -1.073 -4.264 1.00 0.26 H new ATOM 0 HG13 ILE A 95 -3.059 -1.866 -2.703 1.00 0.26 H new ATOM 0 HG21 ILE A 95 -5.548 -2.267 -5.413 1.00 0.28 H new ATOM 0 HG22 ILE A 95 -6.659 -1.015 -4.807 1.00 0.28 H new ATOM 0 HG23 ILE A 95 -5.093 -0.550 -5.514 1.00 0.28 H new ATOM 0 HD11 ILE A 95 -2.292 -3.409 -4.432 1.00 0.22 H new ATOM 0 HD12 ILE A 95 -3.863 -3.932 -3.779 1.00 0.22 H new ATOM 0 HD13 ILE A 95 -3.781 -3.127 -5.364 1.00 0.22 H new ATOM 1438 N GLY A 96 -7.225 -0.370 -1.860 1.00 0.17 N ATOM 1439 CA GLY A 96 -8.611 -0.054 -1.611 1.00 0.18 C ATOM 1440 C GLY A 96 -8.780 1.314 -0.986 1.00 0.20 C ATOM 1441 O GLY A 96 -9.737 2.020 -1.281 1.00 0.23 O ATOM 0 H GLY A 96 -6.878 -1.193 -1.367 1.00 0.17 H new ATOM 0 HA2 GLY A 96 -9.166 -0.095 -2.548 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -9.042 -0.808 -0.953 1.00 0.18 H new ATOM 1445 N ASN A 97 -7.833 1.696 -0.137 1.00 0.20 N ATOM 1446 CA ASN A 97 -7.909 2.964 0.575 1.00 0.25 C ATOM 1447 C ASN A 97 -7.679 4.134 -0.372 1.00 0.25 C ATOM 1448 O ASN A 97 -8.291 5.186 -0.222 1.00 0.27 O ATOM 1449 CB ASN A 97 -6.894 3.010 1.721 1.00 0.31 C ATOM 1450 CG ASN A 97 -7.264 4.016 2.796 1.00 0.72 C ATOM 1451 OD1 ASN A 97 -6.875 5.181 2.744 1.00 1.32 O ATOM 1452 ND2 ASN A 97 -8.011 3.564 3.791 1.00 1.64 N ATOM 0 H ASN A 97 -7.002 1.144 0.075 1.00 0.20 H new ATOM 0 HA ASN A 97 -8.911 3.048 0.995 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -6.814 2.020 2.169 1.00 0.31 H new ATOM 0 HB3 ASN A 97 -5.911 3.259 1.320 1.00 0.31 H new ATOM 0 HD21 ASN A 97 -8.283 4.189 4.549 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -8.315 2.590 3.799 1.00 1.64 H new ATOM 1459 N SER A 98 -6.796 3.950 -1.350 1.00 0.26 N ATOM 1460 CA SER A 98 -6.548 4.987 -2.344 1.00 0.29 C ATOM 1461 C SER A 98 -7.801 5.207 -3.185 1.00 0.29 C ATOM 1462 O SER A 98 -8.129 6.335 -3.545 1.00 0.32 O ATOM 1463 CB SER A 98 -5.349 4.617 -3.227 1.00 0.32 C ATOM 1464 OG SER A 98 -5.578 3.441 -3.982 1.00 0.94 O ATOM 0 H SER A 98 -6.245 3.100 -1.474 1.00 0.26 H new ATOM 0 HA SER A 98 -6.306 5.918 -1.831 1.00 0.29 H new ATOM 0 HB2 SER A 98 -5.131 5.443 -3.904 1.00 0.32 H new ATOM 0 HB3 SER A 98 -4.469 4.477 -2.600 1.00 0.32 H new ATOM 0 HG SER A 98 -6.240 2.882 -3.524 1.00 0.94 H new ATOM 1470 N TYR A 99 -8.509 4.115 -3.466 1.00 0.28 N ATOM 1471 CA TYR A 99 -9.794 4.188 -4.148 1.00 0.29 C ATOM 1472 C TYR A 99 -10.832 4.843 -3.241 1.00 0.28 C ATOM 1473 O TYR A 99 -11.574 5.728 -3.657 1.00 0.31 O ATOM 1474 CB TYR A 99 -10.283 2.790 -4.533 1.00 0.26 C ATOM 1475 CG TYR A 99 -9.577 2.159 -5.709 1.00 0.29 C ATOM 1476 CD1 TYR A 99 -9.679 2.699 -6.983 1.00 0.36 C ATOM 1477 CD2 TYR A 99 -8.781 1.040 -5.537 1.00 0.28 C ATOM 1478 CE1 TYR A 99 -9.008 2.140 -8.051 1.00 0.40 C ATOM 1479 CE2 TYR A 99 -8.109 0.470 -6.595 1.00 0.32 C ATOM 1480 CZ TYR A 99 -8.333 0.973 -7.890 1.00 0.37 C ATOM 1481 OH TYR A 99 -7.549 0.466 -8.912 1.00 0.43 O ATOM 0 H TYR A 99 -8.211 3.168 -3.230 1.00 0.28 H new ATOM 0 HA TYR A 99 -9.663 4.784 -5.052 1.00 0.29 H new ATOM 0 HB2 TYR A 99 -10.172 2.134 -3.670 1.00 0.26 H new ATOM 0 HB3 TYR A 99 -11.348 2.845 -4.757 1.00 0.26 H new ATOM 0 HD1 TYR A 99 -10.294 3.572 -7.141 1.00 0.36 H new ATOM 0 HD2 TYR A 99 -8.685 0.605 -4.553 1.00 0.28 H new ATOM 0 HE1 TYR A 99 -9.020 2.630 -9.013 1.00 0.40 H new ATOM 0 HE2 TYR A 99 -7.423 -0.348 -6.434 1.00 0.32 H new ATOM 0 HH TYR A 99 -7.195 1.205 -9.450 1.00 0.43 H new ATOM 1491 N PHE A 100 -10.865 4.379 -2.000 1.00 0.26 N ATOM 1492 CA PHE A 100 -11.745 4.903 -0.958 1.00 0.27 C ATOM 1493 C PHE A 100 -11.580 6.415 -0.837 1.00 0.32 C ATOM 1494 O PHE A 100 -12.549 7.157 -0.709 1.00 0.40 O ATOM 1495 CB PHE A 100 -11.366 4.206 0.354 1.00 0.25 C ATOM 1496 CG PHE A 100 -12.200 4.522 1.569 1.00 0.28 C ATOM 1497 CD1 PHE A 100 -13.479 4.012 1.701 1.00 0.28 C ATOM 1498 CD2 PHE A 100 -11.678 5.282 2.605 1.00 0.38 C ATOM 1499 CE1 PHE A 100 -14.227 4.258 2.837 1.00 0.32 C ATOM 1500 CE2 PHE A 100 -12.417 5.523 3.748 1.00 0.43 C ATOM 1501 CZ PHE A 100 -13.695 5.011 3.863 1.00 0.37 C ATOM 0 H PHE A 100 -10.271 3.614 -1.680 1.00 0.26 H new ATOM 0 HA PHE A 100 -12.790 4.709 -1.200 1.00 0.27 H new ATOM 0 HB2 PHE A 100 -11.406 3.129 0.188 1.00 0.25 H new ATOM 0 HB3 PHE A 100 -10.330 4.455 0.582 1.00 0.25 H new ATOM 0 HD1 PHE A 100 -13.899 3.414 0.906 1.00 0.28 H new ATOM 0 HD2 PHE A 100 -10.682 5.690 2.518 1.00 0.38 H new ATOM 0 HE1 PHE A 100 -15.228 3.861 2.921 1.00 0.32 H new ATOM 0 HE2 PHE A 100 -11.996 6.111 4.550 1.00 0.43 H new ATOM 0 HZ PHE A 100 -14.276 5.200 4.754 1.00 0.37 H new ATOM 1511 N LYS A 101 -10.336 6.849 -0.905 1.00 0.32 N ATOM 1512 CA LYS A 101 -9.978 8.234 -0.779 1.00 0.38 C ATOM 1513 C LYS A 101 -10.199 9.008 -2.088 1.00 0.41 C ATOM 1514 O LYS A 101 -10.200 10.239 -2.091 1.00 0.51 O ATOM 1515 CB LYS A 101 -8.515 8.249 -0.365 1.00 0.44 C ATOM 1516 CG LYS A 101 -7.997 9.551 0.188 1.00 0.57 C ATOM 1517 CD LYS A 101 -8.863 10.098 1.308 1.00 0.68 C ATOM 1518 CE LYS A 101 -8.809 9.218 2.547 1.00 0.63 C ATOM 1519 NZ LYS A 101 -9.583 9.800 3.673 1.00 0.74 N ATOM 0 H LYS A 101 -9.537 6.232 -1.052 1.00 0.32 H new ATOM 0 HA LYS A 101 -10.607 8.732 -0.041 1.00 0.38 H new ATOM 0 HB2 LYS A 101 -8.362 7.473 0.385 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -7.910 7.979 -1.231 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -6.982 9.406 0.557 1.00 0.57 H new ATOM 0 HG3 LYS A 101 -7.942 10.286 -0.615 1.00 0.57 H new ATOM 0 HD2 LYS A 101 -8.533 11.105 1.563 1.00 0.68 H new ATOM 0 HD3 LYS A 101 -9.894 10.178 0.964 1.00 0.68 H new ATOM 0 HE2 LYS A 101 -9.203 8.230 2.308 1.00 0.63 H new ATOM 0 HE3 LYS A 101 -7.771 9.083 2.851 1.00 0.63 H new ATOM 0 HZ1 LYS A 101 -9.521 9.171 4.499 1.00 0.74 H new ATOM 0 HZ2 LYS A 101 -9.192 10.732 3.918 1.00 0.74 H new ATOM 0 HZ3 LYS A 101 -10.579 9.906 3.392 1.00 0.74 H new ATOM 1533 N GLU A 102 -10.393 8.291 -3.196 1.00 0.37 N ATOM 1534 CA GLU A 102 -10.584 8.942 -4.493 1.00 0.40 C ATOM 1535 C GLU A 102 -12.034 8.809 -4.973 1.00 0.39 C ATOM 1536 O GLU A 102 -12.370 9.207 -6.094 1.00 0.42 O ATOM 1537 CB GLU A 102 -9.616 8.371 -5.529 1.00 0.40 C ATOM 1538 CG GLU A 102 -10.158 7.208 -6.341 1.00 0.38 C ATOM 1539 CD GLU A 102 -9.209 6.795 -7.450 1.00 0.44 C ATOM 1540 OE1 GLU A 102 -9.005 7.576 -8.399 1.00 0.57 O ATOM 1541 OE2 GLU A 102 -8.653 5.672 -7.373 1.00 0.45 O ATOM 0 H GLU A 102 -10.422 7.272 -3.223 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.371 10.004 -4.370 1.00 0.40 H new ATOM 0 HB2 GLU A 102 -9.327 9.169 -6.213 1.00 0.40 H new ATOM 0 HB3 GLU A 102 -8.710 8.046 -5.017 1.00 0.40 H new ATOM 0 HG2 GLU A 102 -10.336 6.358 -5.682 1.00 0.38 H new ATOM 0 HG3 GLU A 102 -11.120 7.485 -6.772 1.00 0.38 H new ATOM 1548 N GLU A 103 -12.874 8.236 -4.104 1.00 0.36 N ATOM 1549 CA GLU A 103 -14.312 8.059 -4.351 1.00 0.35 C ATOM 1550 C GLU A 103 -14.589 6.874 -5.294 1.00 0.35 C ATOM 1551 O GLU A 103 -15.713 6.687 -5.762 1.00 0.45 O ATOM 1552 CB GLU A 103 -14.946 9.355 -4.886 1.00 0.38 C ATOM 1553 CG GLU A 103 -16.465 9.382 -4.804 1.00 1.11 C ATOM 1554 CD GLU A 103 -17.059 10.652 -5.373 1.00 1.17 C ATOM 1555 OE1 GLU A 103 -17.287 10.713 -6.598 1.00 1.47 O ATOM 1556 OE2 GLU A 103 -17.294 11.604 -4.597 1.00 1.31 O ATOM 0 H GLU A 103 -12.572 7.877 -3.198 1.00 0.36 H new ATOM 0 HA GLU A 103 -14.779 7.826 -3.394 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -14.547 10.200 -4.325 1.00 0.38 H new ATOM 0 HB3 GLU A 103 -14.646 9.492 -5.925 1.00 0.38 H new ATOM 0 HG2 GLU A 103 -16.869 8.524 -5.342 1.00 1.11 H new ATOM 0 HG3 GLU A 103 -16.770 9.278 -3.763 1.00 1.11 H new ATOM 1563 N LYS A 104 -13.570 6.055 -5.544 1.00 0.32 N ATOM 1564 CA LYS A 104 -13.746 4.820 -6.309 1.00 0.31 C ATOM 1565 C LYS A 104 -14.039 3.659 -5.367 1.00 0.28 C ATOM 1566 O LYS A 104 -13.300 2.678 -5.316 1.00 0.27 O ATOM 1567 CB LYS A 104 -12.506 4.500 -7.145 1.00 0.34 C ATOM 1568 CG LYS A 104 -12.431 5.250 -8.462 1.00 0.64 C ATOM 1569 CD LYS A 104 -11.343 4.685 -9.358 1.00 0.47 C ATOM 1570 CE LYS A 104 -11.306 5.386 -10.704 1.00 1.11 C ATOM 1571 NZ LYS A 104 -10.257 4.822 -11.592 1.00 1.89 N ATOM 0 H LYS A 104 -12.614 6.223 -5.229 1.00 0.32 H new ATOM 0 HA LYS A 104 -14.588 4.965 -6.986 1.00 0.31 H new ATOM 0 HB2 LYS A 104 -11.617 4.730 -6.558 1.00 0.34 H new ATOM 0 HB3 LYS A 104 -12.485 3.429 -7.348 1.00 0.34 H new ATOM 0 HG2 LYS A 104 -13.392 5.190 -8.972 1.00 0.64 H new ATOM 0 HG3 LYS A 104 -12.236 6.305 -8.271 1.00 0.64 H new ATOM 0 HD2 LYS A 104 -10.376 4.789 -8.866 1.00 0.47 H new ATOM 0 HD3 LYS A 104 -11.511 3.618 -9.507 1.00 0.47 H new ATOM 0 HE2 LYS A 104 -12.279 5.295 -11.188 1.00 1.11 H new ATOM 0 HE3 LYS A 104 -11.122 6.450 -10.555 1.00 1.11 H new ATOM 0 HZ1 LYS A 104 -10.263 5.327 -12.501 1.00 1.89 H new ATOM 0 HZ2 LYS A 104 -9.326 4.931 -11.142 1.00 1.89 H new ATOM 0 HZ3 LYS A 104 -10.446 3.813 -11.755 1.00 1.89 H new ATOM 1585 N TYR A 105 -15.124 3.782 -4.628 1.00 0.28 N ATOM 1586 CA TYR A 105 -15.478 2.807 -3.600 1.00 0.25 C ATOM 1587 C TYR A 105 -15.743 1.425 -4.179 1.00 0.26 C ATOM 1588 O TYR A 105 -15.450 0.418 -3.537 1.00 0.25 O ATOM 1589 CB TYR A 105 -16.693 3.280 -2.818 1.00 0.26 C ATOM 1590 CG TYR A 105 -16.460 4.592 -2.121 1.00 0.29 C ATOM 1591 CD1 TYR A 105 -15.648 4.656 -1.004 1.00 0.29 C ATOM 1592 CD2 TYR A 105 -17.035 5.764 -2.587 1.00 0.34 C ATOM 1593 CE1 TYR A 105 -15.412 5.849 -0.362 1.00 0.34 C ATOM 1594 CE2 TYR A 105 -16.803 6.967 -1.953 1.00 0.39 C ATOM 1595 CZ TYR A 105 -15.990 7.005 -0.838 1.00 0.38 C ATOM 1596 OH TYR A 105 -15.757 8.199 -0.200 1.00 0.46 O ATOM 0 H TYR A 105 -15.785 4.553 -4.718 1.00 0.28 H new ATOM 0 HA TYR A 105 -14.621 2.724 -2.932 1.00 0.25 H new ATOM 0 HB2 TYR A 105 -17.540 3.379 -3.496 1.00 0.26 H new ATOM 0 HB3 TYR A 105 -16.962 2.524 -2.080 1.00 0.26 H new ATOM 0 HD1 TYR A 105 -15.191 3.752 -0.629 1.00 0.29 H new ATOM 0 HD2 TYR A 105 -17.673 5.735 -3.458 1.00 0.34 H new ATOM 0 HE1 TYR A 105 -14.777 5.879 0.511 1.00 0.34 H new ATOM 0 HE2 TYR A 105 -17.255 7.874 -2.327 1.00 0.39 H new ATOM 0 HH TYR A 105 -16.238 8.917 -0.663 1.00 0.46 H new ATOM 1606 N LYS A 106 -16.286 1.374 -5.388 1.00 0.31 N ATOM 1607 CA LYS A 106 -16.556 0.100 -6.046 1.00 0.35 C ATOM 1608 C LYS A 106 -15.262 -0.691 -6.199 1.00 0.31 C ATOM 1609 O LYS A 106 -15.217 -1.903 -5.959 1.00 0.31 O ATOM 1610 CB LYS A 106 -17.195 0.332 -7.415 1.00 0.44 C ATOM 1611 CG LYS A 106 -18.533 1.043 -7.347 1.00 0.56 C ATOM 1612 CD LYS A 106 -18.947 1.577 -8.707 1.00 0.78 C ATOM 1613 CE LYS A 106 -20.271 2.319 -8.643 1.00 0.94 C ATOM 1614 NZ LYS A 106 -21.411 1.402 -8.390 1.00 1.57 N ATOM 0 H LYS A 106 -16.548 2.196 -5.932 1.00 0.31 H new ATOM 0 HA LYS A 106 -17.251 -0.471 -5.431 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -16.512 0.918 -8.031 1.00 0.44 H new ATOM 0 HB3 LYS A 106 -17.328 -0.629 -7.912 1.00 0.44 H new ATOM 0 HG2 LYS A 106 -19.294 0.355 -6.978 1.00 0.56 H new ATOM 0 HG3 LYS A 106 -18.474 1.866 -6.634 1.00 0.56 H new ATOM 0 HD2 LYS A 106 -18.174 2.245 -9.086 1.00 0.78 H new ATOM 0 HD3 LYS A 106 -19.027 0.750 -9.413 1.00 0.78 H new ATOM 0 HE2 LYS A 106 -20.228 3.070 -7.854 1.00 0.94 H new ATOM 0 HE3 LYS A 106 -20.434 2.850 -9.581 1.00 0.94 H new ATOM 0 HZ1 LYS A 106 -22.195 1.933 -7.959 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -21.728 0.986 -9.289 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -21.110 0.644 -7.745 1.00 1.57 H new ATOM 1628 N ASP A 107 -14.206 0.013 -6.574 1.00 0.30 N ATOM 1629 CA ASP A 107 -12.894 -0.601 -6.720 1.00 0.29 C ATOM 1630 C ASP A 107 -12.214 -0.738 -5.364 1.00 0.23 C ATOM 1631 O ASP A 107 -11.397 -1.638 -5.157 1.00 0.21 O ATOM 1632 CB ASP A 107 -12.019 0.208 -7.679 1.00 0.33 C ATOM 1633 CG ASP A 107 -12.380 -0.025 -9.132 1.00 0.46 C ATOM 1634 OD1 ASP A 107 -12.146 -1.143 -9.638 1.00 0.67 O ATOM 1635 OD2 ASP A 107 -12.896 0.911 -9.779 1.00 0.64 O ATOM 0 H ASP A 107 -14.231 1.011 -6.783 1.00 0.30 H new ATOM 0 HA ASP A 107 -13.030 -1.597 -7.141 1.00 0.29 H new ATOM 0 HB2 ASP A 107 -12.119 1.269 -7.449 1.00 0.33 H new ATOM 0 HB3 ASP A 107 -10.973 -0.056 -7.521 1.00 0.33 H new ATOM 1640 N ALA A 108 -12.565 0.155 -4.441 1.00 0.22 N ATOM 1641 CA ALA A 108 -12.069 0.089 -3.070 1.00 0.18 C ATOM 1642 C ALA A 108 -12.424 -1.253 -2.445 1.00 0.16 C ATOM 1643 O ALA A 108 -11.547 -2.003 -2.014 1.00 0.16 O ATOM 1644 CB ALA A 108 -12.642 1.233 -2.231 1.00 0.18 C ATOM 0 H ALA A 108 -13.195 0.937 -4.620 1.00 0.22 H new ATOM 0 HA ALA A 108 -10.984 0.190 -3.092 1.00 0.18 H new ATOM 0 HB1 ALA A 108 -12.259 1.165 -1.213 1.00 0.18 H new ATOM 0 HB2 ALA A 108 -12.346 2.187 -2.667 1.00 0.18 H new ATOM 0 HB3 ALA A 108 -13.730 1.163 -2.215 1.00 0.18 H new ATOM 1650 N ILE A 109 -13.718 -1.556 -2.433 1.00 0.17 N ATOM 1651 CA ILE A 109 -14.230 -2.793 -1.861 1.00 0.18 C ATOM 1652 C ILE A 109 -13.610 -4.020 -2.533 1.00 0.19 C ATOM 1653 O ILE A 109 -13.332 -5.020 -1.868 1.00 0.20 O ATOM 1654 CB ILE A 109 -15.768 -2.845 -1.980 1.00 0.21 C ATOM 1655 CG1 ILE A 109 -16.384 -1.717 -1.158 1.00 0.22 C ATOM 1656 CG2 ILE A 109 -16.304 -4.185 -1.509 1.00 0.24 C ATOM 1657 CD1 ILE A 109 -17.569 -1.053 -1.814 1.00 0.51 C ATOM 0 H ILE A 109 -14.441 -0.949 -2.820 1.00 0.17 H new ATOM 0 HA ILE A 109 -13.952 -2.809 -0.807 1.00 0.18 H new ATOM 0 HB ILE A 109 -16.039 -2.721 -3.028 1.00 0.21 H new ATOM 0 HG12 ILE A 109 -16.693 -2.114 -0.191 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -15.620 -0.964 -0.965 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -17.390 -4.196 -1.603 1.00 0.24 H new ATOM 0 HG22 ILE A 109 -15.879 -4.982 -2.119 1.00 0.24 H new ATOM 0 HG23 ILE A 109 -16.029 -4.341 -0.466 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -17.948 -0.263 -1.166 1.00 0.51 H new ATOM 0 HD12 ILE A 109 -17.264 -0.624 -2.768 1.00 0.51 H new ATOM 0 HD13 ILE A 109 -18.353 -1.792 -1.982 1.00 0.51 H new ATOM 1669 N HIS A 110 -13.382 -3.929 -3.844 1.00 0.20 N ATOM 1670 CA HIS A 110 -12.757 -5.020 -4.592 1.00 0.23 C ATOM 1671 C HIS A 110 -11.461 -5.470 -3.919 1.00 0.20 C ATOM 1672 O HIS A 110 -11.309 -6.636 -3.564 1.00 0.23 O ATOM 1673 CB HIS A 110 -12.464 -4.589 -6.037 1.00 0.27 C ATOM 1674 CG HIS A 110 -11.816 -5.655 -6.877 1.00 0.32 C ATOM 1675 ND1 HIS A 110 -12.523 -6.506 -7.696 1.00 0.40 N ATOM 1676 CD2 HIS A 110 -10.515 -5.998 -7.025 1.00 0.34 C ATOM 1677 CE1 HIS A 110 -11.686 -7.324 -8.306 1.00 0.44 C ATOM 1678 NE2 HIS A 110 -10.460 -7.034 -7.922 1.00 0.40 N ATOM 0 H HIS A 110 -13.620 -3.113 -4.408 1.00 0.20 H new ATOM 0 HA HIS A 110 -13.456 -5.856 -4.605 1.00 0.23 H new ATOM 0 HB2 HIS A 110 -13.398 -4.286 -6.511 1.00 0.27 H new ATOM 0 HB3 HIS A 110 -11.817 -3.712 -6.019 1.00 0.27 H new ATOM 0 HD1 HIS A 110 -13.536 -6.505 -7.813 1.00 0.40 H new ATOM 0 HD2 HIS A 110 -9.673 -5.539 -6.527 1.00 0.34 H new ATOM 0 HE1 HIS A 110 -11.961 -8.101 -9.004 1.00 0.44 H new ATOM 1687 N PHE A 111 -10.539 -4.535 -3.739 1.00 0.18 N ATOM 1688 CA PHE A 111 -9.230 -4.852 -3.182 1.00 0.17 C ATOM 1689 C PHE A 111 -9.286 -4.966 -1.664 1.00 0.16 C ATOM 1690 O PHE A 111 -8.415 -5.581 -1.052 1.00 0.20 O ATOM 1691 CB PHE A 111 -8.201 -3.816 -3.629 1.00 0.17 C ATOM 1692 CG PHE A 111 -7.931 -3.880 -5.105 1.00 0.21 C ATOM 1693 CD1 PHE A 111 -7.074 -4.841 -5.622 1.00 0.22 C ATOM 1694 CD2 PHE A 111 -8.539 -2.993 -5.977 1.00 0.26 C ATOM 1695 CE1 PHE A 111 -6.826 -4.910 -6.980 1.00 0.27 C ATOM 1696 CE2 PHE A 111 -8.296 -3.058 -7.336 1.00 0.31 C ATOM 1697 CZ PHE A 111 -7.438 -4.018 -7.838 1.00 0.32 C ATOM 0 H PHE A 111 -10.672 -3.551 -3.970 1.00 0.18 H new ATOM 0 HA PHE A 111 -8.921 -5.825 -3.563 1.00 0.17 H new ATOM 0 HB2 PHE A 111 -8.557 -2.819 -3.370 1.00 0.17 H new ATOM 0 HB3 PHE A 111 -7.270 -3.974 -3.085 1.00 0.17 H new ATOM 0 HD1 PHE A 111 -6.595 -5.543 -4.956 1.00 0.22 H new ATOM 0 HD2 PHE A 111 -9.211 -2.241 -5.591 1.00 0.26 H new ATOM 0 HE1 PHE A 111 -6.154 -5.661 -7.369 1.00 0.27 H new ATOM 0 HE2 PHE A 111 -8.776 -2.359 -8.005 1.00 0.31 H new ATOM 0 HZ PHE A 111 -7.247 -4.070 -8.900 1.00 0.32 H new ATOM 1707 N TYR A 112 -10.312 -4.386 -1.057 1.00 0.15 N ATOM 1708 CA TYR A 112 -10.566 -4.601 0.361 1.00 0.17 C ATOM 1709 C TYR A 112 -10.835 -6.077 0.624 1.00 0.20 C ATOM 1710 O TYR A 112 -10.203 -6.687 1.481 1.00 0.22 O ATOM 1711 CB TYR A 112 -11.760 -3.782 0.841 1.00 0.17 C ATOM 1712 CG TYR A 112 -11.473 -2.329 1.131 1.00 0.19 C ATOM 1713 CD1 TYR A 112 -10.217 -1.899 1.553 1.00 0.21 C ATOM 1714 CD2 TYR A 112 -12.480 -1.386 1.003 1.00 0.20 C ATOM 1715 CE1 TYR A 112 -9.982 -0.569 1.829 1.00 0.25 C ATOM 1716 CE2 TYR A 112 -12.254 -0.060 1.281 1.00 0.23 C ATOM 1717 CZ TYR A 112 -11.002 0.347 1.693 1.00 0.25 C ATOM 1718 OH TYR A 112 -10.768 1.670 1.979 1.00 0.32 O ATOM 0 H TYR A 112 -10.978 -3.767 -1.520 1.00 0.15 H new ATOM 0 HA TYR A 112 -9.680 -4.280 0.910 1.00 0.17 H new ATOM 0 HB2 TYR A 112 -12.544 -3.836 0.085 1.00 0.17 H new ATOM 0 HB3 TYR A 112 -12.156 -4.244 1.745 1.00 0.17 H new ATOM 0 HD1 TYR A 112 -9.418 -2.616 1.665 1.00 0.21 H new ATOM 0 HD2 TYR A 112 -13.461 -1.699 0.678 1.00 0.20 H new ATOM 0 HE1 TYR A 112 -9.003 -0.247 2.150 1.00 0.25 H new ATOM 0 HE2 TYR A 112 -13.052 0.660 1.178 1.00 0.23 H new ATOM 0 HH TYR A 112 -11.620 2.154 2.010 1.00 0.32 H new ATOM 1728 N ASN A 113 -11.771 -6.644 -0.129 1.00 0.22 N ATOM 1729 CA ASN A 113 -12.104 -8.061 -0.017 1.00 0.28 C ATOM 1730 C ASN A 113 -10.883 -8.921 -0.327 1.00 0.27 C ATOM 1731 O ASN A 113 -10.731 -10.023 0.194 1.00 0.31 O ATOM 1732 CB ASN A 113 -13.244 -8.408 -0.977 1.00 0.34 C ATOM 1733 CG ASN A 113 -13.813 -9.790 -0.733 1.00 1.02 C ATOM 1734 OD1 ASN A 113 -13.341 -10.785 -1.290 1.00 1.77 O ATOM 1735 ND2 ASN A 113 -14.840 -9.859 0.096 1.00 1.23 N ATOM 0 H ASN A 113 -12.317 -6.141 -0.829 1.00 0.22 H new ATOM 0 HA ASN A 113 -12.424 -8.264 1.005 1.00 0.28 H new ATOM 0 HB2 ASN A 113 -14.038 -7.669 -0.873 1.00 0.34 H new ATOM 0 HB3 ASN A 113 -12.882 -8.345 -2.003 1.00 0.34 H new ATOM 0 HD21 ASN A 113 -15.274 -10.760 0.297 1.00 1.23 H new ATOM 0 HD22 ASN A 113 -15.199 -9.011 0.535 1.00 1.23 H new ATOM 1742 N LYS A 114 -10.016 -8.395 -1.180 1.00 0.25 N ATOM 1743 CA LYS A 114 -8.750 -9.036 -1.504 1.00 0.24 C ATOM 1744 C LYS A 114 -7.806 -9.007 -0.302 1.00 0.21 C ATOM 1745 O LYS A 114 -6.955 -9.879 -0.141 1.00 0.23 O ATOM 1746 CB LYS A 114 -8.112 -8.325 -2.680 1.00 0.26 C ATOM 1747 CG LYS A 114 -8.892 -8.457 -3.969 1.00 0.34 C ATOM 1748 CD LYS A 114 -8.107 -9.268 -4.964 1.00 0.37 C ATOM 1749 CE LYS A 114 -8.619 -9.079 -6.371 1.00 0.48 C ATOM 1750 NZ LYS A 114 -7.844 -9.877 -7.358 1.00 1.25 N ATOM 0 H LYS A 114 -10.170 -7.512 -1.667 1.00 0.25 H new ATOM 0 HA LYS A 114 -8.939 -10.077 -1.765 1.00 0.24 H new ATOM 0 HB2 LYS A 114 -8.004 -7.268 -2.438 1.00 0.26 H new ATOM 0 HB3 LYS A 114 -7.108 -8.722 -2.831 1.00 0.26 H new ATOM 0 HG2 LYS A 114 -9.853 -8.934 -3.775 1.00 0.34 H new ATOM 0 HG3 LYS A 114 -9.104 -7.469 -4.379 1.00 0.34 H new ATOM 0 HD2 LYS A 114 -7.056 -8.981 -4.918 1.00 0.37 H new ATOM 0 HD3 LYS A 114 -8.161 -10.323 -4.696 1.00 0.37 H new ATOM 0 HE2 LYS A 114 -9.669 -9.367 -6.416 1.00 0.48 H new ATOM 0 HE3 LYS A 114 -8.566 -8.023 -6.637 1.00 0.48 H new ATOM 0 HZ1 LYS A 114 -8.228 -9.718 -8.311 1.00 1.25 H new ATOM 0 HZ2 LYS A 114 -6.846 -9.585 -7.334 1.00 1.25 H new ATOM 0 HZ3 LYS A 114 -7.915 -10.887 -7.120 1.00 1.25 H new ATOM 1764 N SER A 115 -7.956 -7.992 0.536 1.00 0.20 N ATOM 1765 CA SER A 115 -7.208 -7.919 1.780 1.00 0.21 C ATOM 1766 C SER A 115 -7.780 -8.929 2.770 1.00 0.25 C ATOM 1767 O SER A 115 -7.032 -9.637 3.443 1.00 0.28 O ATOM 1768 CB SER A 115 -7.257 -6.503 2.356 1.00 0.23 C ATOM 1769 OG SER A 115 -6.496 -6.401 3.543 1.00 1.04 O ATOM 0 H SER A 115 -8.589 -7.208 0.376 1.00 0.20 H new ATOM 0 HA SER A 115 -6.163 -8.161 1.588 1.00 0.21 H new ATOM 0 HB2 SER A 115 -6.879 -5.795 1.618 1.00 0.23 H new ATOM 0 HB3 SER A 115 -8.292 -6.228 2.561 1.00 0.23 H new ATOM 0 HG SER A 115 -5.775 -5.750 3.414 1.00 1.04 H new ATOM 1775 N LEU A 116 -9.114 -9.010 2.830 1.00 0.26 N ATOM 1776 CA LEU A 116 -9.784 -10.053 3.606 1.00 0.31 C ATOM 1777 C LEU A 116 -9.325 -11.426 3.128 1.00 0.33 C ATOM 1778 O LEU A 116 -9.257 -12.383 3.898 1.00 0.38 O ATOM 1779 CB LEU A 116 -11.318 -9.970 3.479 1.00 0.34 C ATOM 1780 CG LEU A 116 -12.035 -8.933 4.357 1.00 0.36 C ATOM 1781 CD1 LEU A 116 -11.402 -8.844 5.732 1.00 0.38 C ATOM 1782 CD2 LEU A 116 -12.058 -7.572 3.693 1.00 0.35 C ATOM 0 H LEU A 116 -9.746 -8.368 2.352 1.00 0.26 H new ATOM 0 HA LEU A 116 -9.518 -9.902 4.652 1.00 0.31 H new ATOM 0 HB2 LEU A 116 -11.561 -9.758 2.438 1.00 0.34 H new ATOM 0 HB3 LEU A 116 -11.731 -10.952 3.709 1.00 0.34 H new ATOM 0 HG LEU A 116 -13.065 -9.268 4.479 1.00 0.36 H new ATOM 0 HD11 LEU A 116 -11.932 -8.102 6.329 1.00 0.38 H new ATOM 0 HD12 LEU A 116 -11.462 -9.815 6.224 1.00 0.38 H new ATOM 0 HD13 LEU A 116 -10.357 -8.551 5.633 1.00 0.38 H new ATOM 0 HD21 LEU A 116 -12.572 -6.861 4.339 1.00 0.35 H new ATOM 0 HD22 LEU A 116 -11.036 -7.234 3.521 1.00 0.35 H new ATOM 0 HD23 LEU A 116 -12.582 -7.641 2.740 1.00 0.35 H new ATOM 1794 N ALA A 117 -9.008 -11.493 1.840 1.00 0.31 N ATOM 1795 CA ALA A 117 -8.568 -12.718 1.196 1.00 0.33 C ATOM 1796 C ALA A 117 -7.251 -13.223 1.786 1.00 0.33 C ATOM 1797 O ALA A 117 -7.118 -14.410 2.103 1.00 0.41 O ATOM 1798 CB ALA A 117 -8.430 -12.481 -0.305 1.00 0.32 C ATOM 0 H ALA A 117 -9.051 -10.691 1.211 1.00 0.31 H new ATOM 0 HA ALA A 117 -9.317 -13.490 1.374 1.00 0.33 H new ATOM 0 HB1 ALA A 117 -8.100 -13.400 -0.790 1.00 0.32 H new ATOM 0 HB2 ALA A 117 -9.394 -12.180 -0.716 1.00 0.32 H new ATOM 0 HB3 ALA A 117 -7.698 -11.693 -0.483 1.00 0.32 H new ATOM 1804 N GLU A 118 -6.288 -12.322 1.945 1.00 0.29 N ATOM 1805 CA GLU A 118 -4.962 -12.697 2.427 1.00 0.30 C ATOM 1806 C GLU A 118 -4.863 -12.609 3.949 1.00 0.32 C ATOM 1807 O GLU A 118 -4.433 -13.558 4.605 1.00 0.36 O ATOM 1808 CB GLU A 118 -3.898 -11.806 1.783 1.00 0.27 C ATOM 1809 CG GLU A 118 -3.715 -12.056 0.294 1.00 0.30 C ATOM 1810 CD GLU A 118 -3.300 -13.480 -0.016 1.00 0.41 C ATOM 1811 OE1 GLU A 118 -2.086 -13.767 -0.008 1.00 0.53 O ATOM 1812 OE2 GLU A 118 -4.186 -14.320 -0.276 1.00 0.53 O ATOM 0 H GLU A 118 -6.400 -11.328 1.748 1.00 0.29 H new ATOM 0 HA GLU A 118 -4.791 -13.735 2.143 1.00 0.30 H new ATOM 0 HB2 GLU A 118 -4.169 -10.761 1.937 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -2.946 -11.967 2.290 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -4.648 -11.833 -0.224 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -2.962 -11.370 -0.095 1.00 0.30 H new ATOM 1819 N HIS A 119 -5.279 -11.484 4.510 1.00 0.32 N ATOM 1820 CA HIS A 119 -5.149 -11.249 5.944 1.00 0.36 C ATOM 1821 C HIS A 119 -6.348 -10.461 6.458 1.00 0.37 C ATOM 1822 O HIS A 119 -6.408 -9.235 6.349 1.00 0.36 O ATOM 1823 CB HIS A 119 -3.805 -10.547 6.234 1.00 0.35 C ATOM 1824 CG HIS A 119 -3.667 -9.858 7.569 1.00 0.40 C ATOM 1825 ND1 HIS A 119 -2.767 -8.832 7.792 1.00 0.42 N ATOM 1826 CD2 HIS A 119 -4.275 -10.073 8.751 1.00 0.45 C ATOM 1827 CE1 HIS A 119 -2.831 -8.460 9.055 1.00 0.48 C ATOM 1828 NE2 HIS A 119 -3.737 -9.199 9.661 1.00 0.50 N ATOM 0 H HIS A 119 -5.711 -10.717 3.995 1.00 0.32 H new ATOM 0 HA HIS A 119 -5.143 -12.198 6.480 1.00 0.36 H new ATOM 0 HB2 HIS A 119 -3.011 -11.289 6.152 1.00 0.35 H new ATOM 0 HB3 HIS A 119 -3.633 -9.808 5.452 1.00 0.35 H new ATOM 0 HD1 HIS A 119 -2.150 -8.426 7.089 1.00 0.42 H new ATOM 0 HD2 HIS A 119 -5.047 -10.802 8.947 1.00 0.45 H new ATOM 0 HE1 HIS A 119 -2.241 -7.681 9.515 1.00 0.48 H new ATOM 1837 N ARG A 120 -7.299 -11.195 7.019 1.00 0.41 N ATOM 1838 CA ARG A 120 -8.513 -10.614 7.567 1.00 0.43 C ATOM 1839 C ARG A 120 -8.199 -9.663 8.714 1.00 0.46 C ATOM 1840 O ARG A 120 -7.648 -10.062 9.742 1.00 0.53 O ATOM 1841 CB ARG A 120 -9.451 -11.725 8.044 1.00 0.49 C ATOM 1842 CG ARG A 120 -10.697 -11.217 8.751 1.00 0.55 C ATOM 1843 CD ARG A 120 -11.585 -12.363 9.204 1.00 0.62 C ATOM 1844 NE ARG A 120 -10.877 -13.297 10.079 1.00 1.38 N ATOM 1845 CZ ARG A 120 -11.482 -14.198 10.852 1.00 1.78 C ATOM 1846 NH1 ARG A 120 -12.807 -14.293 10.861 1.00 1.57 N ATOM 1847 NH2 ARG A 120 -10.758 -15.009 11.611 1.00 2.87 N ATOM 0 H ARG A 120 -7.249 -12.210 7.106 1.00 0.41 H new ATOM 0 HA ARG A 120 -9.003 -10.041 6.780 1.00 0.43 H new ATOM 0 HB2 ARG A 120 -9.752 -12.327 7.186 1.00 0.49 H new ATOM 0 HB3 ARG A 120 -8.905 -12.383 8.719 1.00 0.49 H new ATOM 0 HG2 ARG A 120 -10.408 -10.616 9.613 1.00 0.55 H new ATOM 0 HG3 ARG A 120 -11.257 -10.564 8.081 1.00 0.55 H new ATOM 0 HD2 ARG A 120 -12.453 -11.963 9.729 1.00 0.62 H new ATOM 0 HD3 ARG A 120 -11.959 -12.898 8.331 1.00 0.62 H new ATOM 0 HE ARG A 120 -9.858 -13.256 10.099 1.00 1.38 H new ATOM 0 HH11 ARG A 120 -13.367 -13.674 10.274 1.00 1.57 H new ATOM 0 HH12 ARG A 120 -13.265 -14.985 11.455 1.00 1.57 H new ATOM 0 HH21 ARG A 120 -9.740 -14.942 11.602 1.00 2.87 H new ATOM 0 HH22 ARG A 120 -11.219 -15.700 12.204 1.00 2.87 H new ATOM 1861 N THR A 121 -8.539 -8.402 8.518 1.00 0.45 N ATOM 1862 CA THR A 121 -8.384 -7.392 9.545 1.00 0.50 C ATOM 1863 C THR A 121 -9.667 -6.607 9.719 1.00 0.49 C ATOM 1864 O THR A 121 -10.350 -6.269 8.749 1.00 0.47 O ATOM 1865 CB THR A 121 -7.258 -6.409 9.214 1.00 0.53 C ATOM 1866 OG1 THR A 121 -7.217 -6.161 7.806 1.00 0.52 O ATOM 1867 CG2 THR A 121 -5.913 -6.913 9.688 1.00 0.62 C ATOM 0 H THR A 121 -8.930 -8.051 7.643 1.00 0.45 H new ATOM 0 HA THR A 121 -8.135 -7.919 10.466 1.00 0.50 H new ATOM 0 HB THR A 121 -7.470 -5.479 9.742 1.00 0.53 H new ATOM 0 HG1 THR A 121 -6.337 -5.806 7.562 1.00 0.52 H new ATOM 0 HG21 THR A 121 -5.142 -6.186 9.433 1.00 0.62 H new ATOM 0 HG22 THR A 121 -5.937 -7.053 10.769 1.00 0.62 H new ATOM 0 HG23 THR A 121 -5.689 -7.864 9.204 1.00 0.62 H new ATOM 1875 N PRO A 122 -10.005 -6.336 10.982 1.00 0.56 N ATOM 1876 CA PRO A 122 -11.152 -5.514 11.368 1.00 0.56 C ATOM 1877 C PRO A 122 -11.133 -4.145 10.698 1.00 0.51 C ATOM 1878 O PRO A 122 -12.180 -3.590 10.386 1.00 0.50 O ATOM 1879 CB PRO A 122 -10.984 -5.358 12.886 1.00 0.65 C ATOM 1880 CG PRO A 122 -9.578 -5.771 13.148 1.00 0.76 C ATOM 1881 CD PRO A 122 -9.296 -6.837 12.159 1.00 0.69 C ATOM 0 HA PRO A 122 -12.096 -5.970 11.071 1.00 0.56 H new ATOM 0 HB2 PRO A 122 -11.161 -4.330 13.202 1.00 0.65 H new ATOM 0 HB3 PRO A 122 -11.690 -5.985 13.430 1.00 0.65 H new ATOM 0 HG2 PRO A 122 -8.892 -4.932 13.029 1.00 0.76 H new ATOM 0 HG3 PRO A 122 -9.459 -6.138 14.167 1.00 0.76 H new ATOM 0 HD2 PRO A 122 -8.228 -6.955 11.976 1.00 0.69 H new ATOM 0 HD3 PRO A 122 -9.673 -7.807 12.483 1.00 0.69 H new ATOM 1889 N ASP A 123 -9.932 -3.609 10.484 1.00 0.50 N ATOM 1890 CA ASP A 123 -9.761 -2.315 9.825 1.00 0.48 C ATOM 1891 C ASP A 123 -10.256 -2.356 8.398 1.00 0.40 C ATOM 1892 O ASP A 123 -11.063 -1.519 7.996 1.00 0.40 O ATOM 1893 CB ASP A 123 -8.299 -1.901 9.830 1.00 0.55 C ATOM 1894 CG ASP A 123 -8.043 -0.646 9.012 1.00 1.42 C ATOM 1895 OD1 ASP A 123 -8.398 0.462 9.473 1.00 2.20 O ATOM 1896 OD2 ASP A 123 -7.470 -0.763 7.908 1.00 2.06 O ATOM 0 H ASP A 123 -9.057 -4.055 10.760 1.00 0.50 H new ATOM 0 HA ASP A 123 -10.350 -1.587 10.383 1.00 0.48 H new ATOM 0 HB2 ASP A 123 -7.977 -1.732 10.858 1.00 0.55 H new ATOM 0 HB3 ASP A 123 -7.693 -2.717 9.436 1.00 0.55 H new ATOM 1901 N VAL A 124 -9.783 -3.324 7.626 1.00 0.35 N ATOM 1902 CA VAL A 124 -10.222 -3.426 6.254 1.00 0.29 C ATOM 1903 C VAL A 124 -11.692 -3.754 6.241 1.00 0.28 C ATOM 1904 O VAL A 124 -12.445 -3.115 5.544 1.00 0.28 O ATOM 1905 CB VAL A 124 -9.475 -4.484 5.426 1.00 0.28 C ATOM 1906 CG1 VAL A 124 -9.955 -4.455 3.982 1.00 0.32 C ATOM 1907 CG2 VAL A 124 -7.974 -4.271 5.485 1.00 0.31 C ATOM 0 H VAL A 124 -9.111 -4.032 7.923 1.00 0.35 H new ATOM 0 HA VAL A 124 -10.008 -2.463 5.790 1.00 0.29 H new ATOM 0 HB VAL A 124 -9.692 -5.462 5.855 1.00 0.28 H new ATOM 0 HG11 VAL A 124 -9.419 -5.209 3.405 1.00 0.32 H new ATOM 0 HG12 VAL A 124 -11.024 -4.666 3.950 1.00 0.32 H new ATOM 0 HG13 VAL A 124 -9.766 -3.470 3.556 1.00 0.32 H new ATOM 0 HG21 VAL A 124 -7.474 -5.035 4.890 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -7.731 -3.285 5.089 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -7.637 -4.339 6.519 1.00 0.31 H new ATOM 1917 N LEU A 125 -12.090 -4.728 7.049 1.00 0.35 N ATOM 1918 CA LEU A 125 -13.490 -5.132 7.143 1.00 0.38 C ATOM 1919 C LEU A 125 -14.372 -3.913 7.419 1.00 0.38 C ATOM 1920 O LEU A 125 -15.410 -3.723 6.779 1.00 0.38 O ATOM 1921 CB LEU A 125 -13.639 -6.185 8.245 1.00 0.45 C ATOM 1922 CG LEU A 125 -14.968 -6.947 8.273 1.00 0.51 C ATOM 1923 CD1 LEU A 125 -14.766 -8.320 8.887 1.00 0.61 C ATOM 1924 CD2 LEU A 125 -16.016 -6.176 9.063 1.00 0.54 C ATOM 0 H LEU A 125 -11.460 -5.257 7.653 1.00 0.35 H new ATOM 0 HA LEU A 125 -13.812 -5.569 6.198 1.00 0.38 H new ATOM 0 HB2 LEU A 125 -12.831 -6.909 8.140 1.00 0.45 H new ATOM 0 HB3 LEU A 125 -13.504 -5.694 9.209 1.00 0.45 H new ATOM 0 HG LEU A 125 -15.321 -7.059 7.248 1.00 0.51 H new ATOM 0 HD11 LEU A 125 -15.716 -8.855 8.903 1.00 0.61 H new ATOM 0 HD12 LEU A 125 -14.044 -8.881 8.294 1.00 0.61 H new ATOM 0 HD13 LEU A 125 -14.393 -8.212 9.906 1.00 0.61 H new ATOM 0 HD21 LEU A 125 -16.951 -6.736 9.070 1.00 0.54 H new ATOM 0 HD22 LEU A 125 -15.670 -6.036 10.087 1.00 0.54 H new ATOM 0 HD23 LEU A 125 -16.179 -5.203 8.599 1.00 0.54 H new ATOM 1936 N LYS A 126 -13.930 -3.087 8.361 1.00 0.40 N ATOM 1937 CA LYS A 126 -14.551 -1.797 8.635 1.00 0.42 C ATOM 1938 C LYS A 126 -14.646 -0.975 7.354 1.00 0.39 C ATOM 1939 O LYS A 126 -15.712 -0.484 6.986 1.00 0.43 O ATOM 1940 CB LYS A 126 -13.716 -1.049 9.680 1.00 0.48 C ATOM 1941 CG LYS A 126 -14.119 0.403 9.877 1.00 0.58 C ATOM 1942 CD LYS A 126 -13.168 1.125 10.820 1.00 0.72 C ATOM 1943 CE LYS A 126 -13.169 0.511 12.211 1.00 1.37 C ATOM 1944 NZ LYS A 126 -12.285 1.255 13.147 1.00 2.04 N ATOM 0 H LYS A 126 -13.129 -3.294 8.957 1.00 0.40 H new ATOM 0 HA LYS A 126 -15.559 -1.955 9.019 1.00 0.42 H new ATOM 0 HB2 LYS A 126 -13.798 -1.570 10.634 1.00 0.48 H new ATOM 0 HB3 LYS A 126 -12.667 -1.086 9.385 1.00 0.48 H new ATOM 0 HG2 LYS A 126 -14.132 0.912 8.913 1.00 0.58 H new ATOM 0 HG3 LYS A 126 -15.132 0.449 10.276 1.00 0.58 H new ATOM 0 HD2 LYS A 126 -12.158 1.093 10.411 1.00 0.72 H new ATOM 0 HD3 LYS A 126 -13.452 2.175 10.887 1.00 0.72 H new ATOM 0 HE2 LYS A 126 -14.186 0.501 12.603 1.00 1.37 H new ATOM 0 HE3 LYS A 126 -12.841 -0.527 12.150 1.00 1.37 H new ATOM 0 HZ1 LYS A 126 -12.314 0.804 14.084 1.00 2.04 H new ATOM 0 HZ2 LYS A 126 -11.309 1.243 12.787 1.00 2.04 H new ATOM 0 HZ3 LYS A 126 -12.613 2.239 13.226 1.00 2.04 H new ATOM 1958 N LYS A 127 -13.517 -0.860 6.678 1.00 0.33 N ATOM 1959 CA LYS A 127 -13.401 -0.097 5.442 1.00 0.31 C ATOM 1960 C LYS A 127 -14.272 -0.658 4.321 1.00 0.27 C ATOM 1961 O LYS A 127 -14.862 0.099 3.555 1.00 0.27 O ATOM 1962 CB LYS A 127 -11.945 -0.100 4.993 1.00 0.31 C ATOM 1963 CG LYS A 127 -11.190 1.155 5.373 1.00 0.52 C ATOM 1964 CD LYS A 127 -11.259 1.421 6.864 1.00 0.55 C ATOM 1965 CE LYS A 127 -10.605 2.740 7.210 1.00 0.82 C ATOM 1966 NZ LYS A 127 -9.156 2.581 7.524 1.00 1.48 N ATOM 0 H LYS A 127 -12.644 -1.297 6.972 1.00 0.33 H new ATOM 0 HA LYS A 127 -13.747 0.916 5.647 1.00 0.31 H new ATOM 0 HB2 LYS A 127 -11.441 -0.963 5.429 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -11.908 -0.222 3.911 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -10.148 1.059 5.068 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -11.603 2.006 4.832 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -12.300 1.431 7.187 1.00 0.55 H new ATOM 0 HD3 LYS A 127 -10.765 0.613 7.404 1.00 0.55 H new ATOM 0 HE2 LYS A 127 -10.721 3.432 6.376 1.00 0.82 H new ATOM 0 HE3 LYS A 127 -11.115 3.184 8.065 1.00 0.82 H new ATOM 0 HZ1 LYS A 127 -8.794 3.459 7.949 1.00 1.48 H new ATOM 0 HZ2 LYS A 127 -9.030 1.795 8.193 1.00 1.48 H new ATOM 0 HZ3 LYS A 127 -8.631 2.378 6.649 1.00 1.48 H new ATOM 1980 N CYS A 128 -14.343 -1.980 4.223 1.00 0.27 N ATOM 1981 CA CYS A 128 -15.052 -2.631 3.153 1.00 0.26 C ATOM 1982 C CYS A 128 -16.537 -2.336 3.260 1.00 0.29 C ATOM 1983 O CYS A 128 -17.201 -2.052 2.265 1.00 0.32 O ATOM 1984 CB CYS A 128 -14.816 -4.141 3.220 1.00 0.26 C ATOM 1985 SG CYS A 128 -13.106 -4.632 3.394 1.00 0.91 S ATOM 0 H CYS A 128 -13.908 -2.621 4.887 1.00 0.27 H new ATOM 0 HA CYS A 128 -14.683 -2.253 2.200 1.00 0.26 H new ATOM 0 HB2 CYS A 128 -15.381 -4.545 4.060 1.00 0.26 H new ATOM 0 HB3 CYS A 128 -15.219 -4.597 2.316 1.00 0.26 H new ATOM 0 HG CYS A 128 -12.456 -3.716 4.049 1.00 0.91 H new ATOM 1991 N GLN A 129 -17.048 -2.407 4.483 1.00 0.32 N ATOM 1992 CA GLN A 129 -18.443 -2.097 4.744 1.00 0.36 C ATOM 1993 C GLN A 129 -18.669 -0.601 4.626 1.00 0.32 C ATOM 1994 O GLN A 129 -19.690 -0.161 4.110 1.00 0.35 O ATOM 1995 CB GLN A 129 -18.852 -2.571 6.132 1.00 0.44 C ATOM 1996 CG GLN A 129 -18.652 -4.060 6.333 1.00 0.50 C ATOM 1997 CD GLN A 129 -18.966 -4.512 7.743 1.00 0.60 C ATOM 1998 OE1 GLN A 129 -19.377 -5.650 7.965 1.00 1.38 O ATOM 1999 NE2 GLN A 129 -18.781 -3.625 8.708 1.00 1.10 N ATOM 0 H GLN A 129 -16.514 -2.677 5.309 1.00 0.32 H new ATOM 0 HA GLN A 129 -19.055 -2.617 4.007 1.00 0.36 H new ATOM 0 HB2 GLN A 129 -18.274 -2.028 6.880 1.00 0.44 H new ATOM 0 HB3 GLN A 129 -19.901 -2.325 6.299 1.00 0.44 H new ATOM 0 HG2 GLN A 129 -19.286 -4.604 5.633 1.00 0.50 H new ATOM 0 HG3 GLN A 129 -17.620 -4.318 6.096 1.00 0.50 H new ATOM 0 HE21 GLN A 129 -18.439 -2.691 8.483 1.00 1.10 H new ATOM 0 HE22 GLN A 129 -18.981 -3.876 9.676 1.00 1.10 H new ATOM 2008 N GLN A 130 -17.692 0.168 5.103 1.00 0.31 N ATOM 2009 CA GLN A 130 -17.749 1.622 5.042 1.00 0.30 C ATOM 2010 C GLN A 130 -17.904 2.081 3.600 1.00 0.26 C ATOM 2011 O GLN A 130 -18.830 2.808 3.268 1.00 0.27 O ATOM 2012 CB GLN A 130 -16.479 2.228 5.644 1.00 0.34 C ATOM 2013 CG GLN A 130 -16.550 3.727 5.868 1.00 0.41 C ATOM 2014 CD GLN A 130 -17.675 4.130 6.806 1.00 0.94 C ATOM 2015 OE1 GLN A 130 -18.797 4.407 6.376 1.00 1.72 O ATOM 2016 NE2 GLN A 130 -17.387 4.158 8.095 1.00 1.65 N ATOM 0 H GLN A 130 -16.846 -0.198 5.539 1.00 0.31 H new ATOM 0 HA GLN A 130 -18.611 1.960 5.618 1.00 0.30 H new ATOM 0 HB2 GLN A 130 -16.273 1.739 6.596 1.00 0.34 H new ATOM 0 HB3 GLN A 130 -15.638 2.010 4.985 1.00 0.34 H new ATOM 0 HG2 GLN A 130 -15.601 4.074 6.276 1.00 0.41 H new ATOM 0 HG3 GLN A 130 -16.686 4.227 4.909 1.00 0.41 H new ATOM 0 HE21 GLN A 130 -16.447 3.922 8.413 1.00 1.65 H new ATOM 0 HE22 GLN A 130 -18.105 4.415 8.772 1.00 1.65 H new ATOM 2025 N ALA A 131 -17.008 1.627 2.742 1.00 0.23 N ATOM 2026 CA ALA A 131 -17.049 1.991 1.336 1.00 0.21 C ATOM 2027 C ALA A 131 -18.314 1.472 0.675 1.00 0.23 C ATOM 2028 O ALA A 131 -18.840 2.091 -0.245 1.00 0.29 O ATOM 2029 CB ALA A 131 -15.822 1.458 0.618 1.00 0.20 C ATOM 0 H ALA A 131 -16.241 1.004 2.995 1.00 0.23 H new ATOM 0 HA ALA A 131 -17.053 3.079 1.267 1.00 0.21 H new ATOM 0 HB1 ALA A 131 -15.866 1.738 -0.434 1.00 0.20 H new ATOM 0 HB2 ALA A 131 -14.924 1.881 1.069 1.00 0.20 H new ATOM 0 HB3 ALA A 131 -15.794 0.372 0.703 1.00 0.20 H new ATOM 2035 N GLU A 132 -18.805 0.342 1.159 1.00 0.26 N ATOM 2036 CA GLU A 132 -19.984 -0.284 0.588 1.00 0.35 C ATOM 2037 C GLU A 132 -21.238 0.519 0.918 1.00 0.35 C ATOM 2038 O GLU A 132 -22.052 0.806 0.036 1.00 0.43 O ATOM 2039 CB GLU A 132 -20.108 -1.706 1.097 1.00 0.48 C ATOM 2040 CG GLU A 132 -21.068 -2.554 0.302 1.00 1.02 C ATOM 2041 CD GLU A 132 -21.256 -3.926 0.904 1.00 1.24 C ATOM 2042 OE1 GLU A 132 -22.110 -4.070 1.804 1.00 1.41 O ATOM 2043 OE2 GLU A 132 -20.550 -4.866 0.482 1.00 2.04 O ATOM 0 H GLU A 132 -18.402 -0.161 1.950 1.00 0.26 H new ATOM 0 HA GLU A 132 -19.879 -0.306 -0.497 1.00 0.35 H new ATOM 0 HB2 GLU A 132 -19.124 -2.175 1.081 1.00 0.48 H new ATOM 0 HB3 GLU A 132 -20.433 -1.683 2.137 1.00 0.48 H new ATOM 0 HG2 GLU A 132 -22.033 -2.050 0.245 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -20.700 -2.655 -0.719 1.00 1.02 H new ATOM 2050 N LYS A 133 -21.390 0.886 2.189 1.00 0.32 N ATOM 2051 CA LYS A 133 -22.502 1.731 2.603 1.00 0.36 C ATOM 2052 C LYS A 133 -22.383 3.100 1.949 1.00 0.37 C ATOM 2053 O LYS A 133 -23.354 3.616 1.412 1.00 0.46 O ATOM 2054 CB LYS A 133 -22.574 1.867 4.130 1.00 0.37 C ATOM 2055 CG LYS A 133 -21.268 2.296 4.775 1.00 0.36 C ATOM 2056 CD LYS A 133 -21.371 2.406 6.286 1.00 0.66 C ATOM 2057 CE LYS A 133 -22.213 3.604 6.709 1.00 1.04 C ATOM 2058 NZ LYS A 133 -21.694 4.881 6.145 1.00 1.90 N ATOM 0 H LYS A 133 -20.760 0.612 2.943 1.00 0.32 H new ATOM 0 HA LYS A 133 -23.427 1.256 2.276 1.00 0.36 H new ATOM 0 HB2 LYS A 133 -23.348 2.592 4.384 1.00 0.37 H new ATOM 0 HB3 LYS A 133 -22.881 0.911 4.555 1.00 0.37 H new ATOM 0 HG2 LYS A 133 -20.488 1.579 4.519 1.00 0.36 H new ATOM 0 HG3 LYS A 133 -20.963 3.259 4.364 1.00 0.36 H new ATOM 0 HD2 LYS A 133 -21.810 1.493 6.688 1.00 0.66 H new ATOM 0 HD3 LYS A 133 -20.372 2.494 6.713 1.00 0.66 H new ATOM 0 HE2 LYS A 133 -23.243 3.456 6.383 1.00 1.04 H new ATOM 0 HE3 LYS A 133 -22.229 3.669 7.797 1.00 1.04 H new ATOM 0 HZ1 LYS A 133 -22.031 5.678 6.722 1.00 1.90 H new ATOM 0 HZ2 LYS A 133 -20.654 4.866 6.150 1.00 1.90 H new ATOM 0 HZ3 LYS A 133 -22.034 4.993 5.168 1.00 1.90 H new ATOM 2072 N ILE A 134 -21.175 3.660 1.965 1.00 0.32 N ATOM 2073 CA ILE A 134 -20.912 4.954 1.343 1.00 0.34 C ATOM 2074 C ILE A 134 -21.300 4.935 -0.133 1.00 0.39 C ATOM 2075 O ILE A 134 -21.949 5.855 -0.628 1.00 0.48 O ATOM 2076 CB ILE A 134 -19.419 5.346 1.472 1.00 0.31 C ATOM 2077 CG1 ILE A 134 -19.066 5.708 2.907 1.00 0.32 C ATOM 2078 CG2 ILE A 134 -19.084 6.507 0.572 1.00 0.34 C ATOM 2079 CD1 ILE A 134 -17.595 6.005 3.120 1.00 0.33 C ATOM 0 H ILE A 134 -20.359 3.234 2.405 1.00 0.32 H new ATOM 0 HA ILE A 134 -21.518 5.693 1.867 1.00 0.34 H new ATOM 0 HB ILE A 134 -18.833 4.478 1.170 1.00 0.31 H new ATOM 0 HG12 ILE A 134 -19.650 6.579 3.206 1.00 0.32 H new ATOM 0 HG13 ILE A 134 -19.360 4.887 3.561 1.00 0.32 H new ATOM 0 HG21 ILE A 134 -18.030 6.761 0.683 1.00 0.34 H new ATOM 0 HG22 ILE A 134 -19.284 6.234 -0.464 1.00 0.34 H new ATOM 0 HG23 ILE A 134 -19.695 7.367 0.845 1.00 0.34 H new ATOM 0 HD11 ILE A 134 -17.422 6.255 4.167 1.00 0.33 H new ATOM 0 HD12 ILE A 134 -17.005 5.128 2.854 1.00 0.33 H new ATOM 0 HD13 ILE A 134 -17.299 6.846 2.493 1.00 0.33 H new ATOM 2091 N LEU A 135 -20.914 3.870 -0.820 1.00 0.38 N ATOM 2092 CA LEU A 135 -21.170 3.736 -2.245 1.00 0.48 C ATOM 2093 C LEU A 135 -22.673 3.745 -2.527 1.00 0.58 C ATOM 2094 O LEU A 135 -23.132 4.414 -3.451 1.00 0.71 O ATOM 2095 CB LEU A 135 -20.508 2.449 -2.768 1.00 0.51 C ATOM 2096 CG LEU A 135 -20.288 2.359 -4.286 1.00 0.59 C ATOM 2097 CD1 LEU A 135 -21.561 1.939 -4.999 1.00 1.33 C ATOM 2098 CD2 LEU A 135 -19.786 3.688 -4.840 1.00 1.37 C ATOM 0 H LEU A 135 -20.418 3.080 -0.408 1.00 0.38 H new ATOM 0 HA LEU A 135 -20.736 4.587 -2.770 1.00 0.48 H new ATOM 0 HB2 LEU A 135 -19.542 2.338 -2.276 1.00 0.51 H new ATOM 0 HB3 LEU A 135 -21.121 1.601 -2.461 1.00 0.51 H new ATOM 0 HG LEU A 135 -19.529 1.598 -4.466 1.00 0.59 H new ATOM 0 HD11 LEU A 135 -21.376 1.884 -6.072 1.00 1.33 H new ATOM 0 HD12 LEU A 135 -21.877 0.962 -4.634 1.00 1.33 H new ATOM 0 HD13 LEU A 135 -22.346 2.670 -4.804 1.00 1.33 H new ATOM 0 HD21 LEU A 135 -19.637 3.601 -5.916 1.00 1.37 H new ATOM 0 HD22 LEU A 135 -20.521 4.467 -4.637 1.00 1.37 H new ATOM 0 HD23 LEU A 135 -18.841 3.947 -4.363 1.00 1.37 H new ATOM 2110 N LYS A 136 -23.443 3.031 -1.710 1.00 0.58 N ATOM 2111 CA LYS A 136 -24.886 2.979 -1.900 1.00 0.72 C ATOM 2112 C LYS A 136 -25.563 4.223 -1.322 1.00 0.77 C ATOM 2113 O LYS A 136 -26.725 4.494 -1.620 1.00 0.91 O ATOM 2114 CB LYS A 136 -25.474 1.702 -1.297 1.00 0.79 C ATOM 2115 CG LYS A 136 -25.295 1.570 0.205 1.00 1.26 C ATOM 2116 CD LYS A 136 -25.939 0.297 0.731 1.00 1.73 C ATOM 2117 CE LYS A 136 -25.305 -0.945 0.125 1.00 2.54 C ATOM 2118 NZ LYS A 136 -25.925 -2.196 0.635 1.00 3.36 N ATOM 0 H LYS A 136 -23.096 2.487 -0.920 1.00 0.58 H new ATOM 0 HA LYS A 136 -25.081 2.962 -2.972 1.00 0.72 H new ATOM 0 HB2 LYS A 136 -26.539 1.664 -1.527 1.00 0.79 H new ATOM 0 HB3 LYS A 136 -25.013 0.842 -1.781 1.00 0.79 H new ATOM 0 HG2 LYS A 136 -24.232 1.569 0.448 1.00 1.26 H new ATOM 0 HG3 LYS A 136 -25.735 2.434 0.703 1.00 1.26 H new ATOM 0 HD2 LYS A 136 -25.843 0.262 1.816 1.00 1.73 H new ATOM 0 HD3 LYS A 136 -27.005 0.308 0.505 1.00 1.73 H new ATOM 0 HE2 LYS A 136 -25.403 -0.909 -0.960 1.00 2.54 H new ATOM 0 HE3 LYS A 136 -24.238 -0.953 0.349 1.00 2.54 H new ATOM 0 HZ1 LYS A 136 -25.462 -3.017 0.195 1.00 3.36 H new ATOM 0 HZ2 LYS A 136 -25.809 -2.245 1.667 1.00 3.36 H new ATOM 0 HZ3 LYS A 136 -26.938 -2.202 0.399 1.00 3.36 H new ATOM 2132 N GLU A 137 -24.842 4.975 -0.495 1.00 0.70 N ATOM 2133 CA GLU A 137 -25.319 6.278 -0.048 1.00 0.82 C ATOM 2134 C GLU A 137 -25.248 7.263 -1.207 1.00 0.87 C ATOM 2135 O GLU A 137 -26.023 8.218 -1.286 1.00 1.03 O ATOM 2136 CB GLU A 137 -24.498 6.803 1.136 1.00 0.82 C ATOM 2137 CG GLU A 137 -24.708 6.019 2.421 1.00 1.02 C ATOM 2138 CD GLU A 137 -23.858 6.523 3.573 1.00 1.61 C ATOM 2139 OE1 GLU A 137 -24.212 7.562 4.170 1.00 2.01 O ATOM 2140 OE2 GLU A 137 -22.834 5.882 3.896 1.00 2.28 O ATOM 0 H GLU A 137 -23.931 4.706 -0.123 1.00 0.70 H new ATOM 0 HA GLU A 137 -26.350 6.170 0.287 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -23.440 6.777 0.873 1.00 0.82 H new ATOM 0 HB3 GLU A 137 -24.757 7.847 1.312 1.00 0.82 H new ATOM 0 HG2 GLU A 137 -25.759 6.071 2.703 1.00 1.02 H new ATOM 0 HG3 GLU A 137 -24.478 4.969 2.240 1.00 1.02 H new ATOM 2147 N GLN A 138 -24.316 7.003 -2.116 1.00 0.80 N ATOM 2148 CA GLN A 138 -24.127 7.834 -3.292 1.00 0.89 C ATOM 2149 C GLN A 138 -25.196 7.538 -4.343 1.00 1.04 C ATOM 2150 O GLN A 138 -25.931 8.434 -4.763 1.00 1.19 O ATOM 2151 CB GLN A 138 -22.734 7.608 -3.876 1.00 0.87 C ATOM 2152 CG GLN A 138 -21.616 8.038 -2.944 1.00 0.80 C ATOM 2153 CD GLN A 138 -21.484 9.545 -2.833 1.00 1.08 C ATOM 2154 OE1 GLN A 138 -22.462 10.285 -2.958 1.00 1.75 O ATOM 2155 NE2 GLN A 138 -20.273 10.014 -2.590 1.00 1.60 N ATOM 0 H GLN A 138 -23.674 6.213 -2.057 1.00 0.80 H new ATOM 0 HA GLN A 138 -24.221 8.878 -2.994 1.00 0.89 H new ATOM 0 HB2 GLN A 138 -22.614 6.551 -4.113 1.00 0.87 H new ATOM 0 HB3 GLN A 138 -22.647 8.157 -4.814 1.00 0.87 H new ATOM 0 HG2 GLN A 138 -21.796 7.621 -1.953 1.00 0.80 H new ATOM 0 HG3 GLN A 138 -20.674 7.621 -3.299 1.00 0.80 H new ATOM 0 HE21 GLN A 138 -19.487 9.371 -2.493 1.00 1.60 H new ATOM 0 HE22 GLN A 138 -20.124 11.019 -2.500 1.00 1.60 H new ATOM 2164 N GLU A 139 -25.278 6.281 -4.763 1.00 1.14 N ATOM 2165 CA GLU A 139 -26.260 5.875 -5.761 1.00 1.35 C ATOM 2166 C GLU A 139 -27.542 5.374 -5.093 1.00 1.86 C ATOM 2167 O GLU A 139 -28.363 6.220 -4.681 1.00 2.30 O ATOM 2168 CB GLU A 139 -25.675 4.802 -6.695 1.00 1.47 C ATOM 2169 CG GLU A 139 -24.921 3.696 -5.972 1.00 1.46 C ATOM 2170 CD GLU A 139 -24.539 2.549 -6.887 1.00 2.03 C ATOM 2171 OE1 GLU A 139 -23.610 2.716 -7.703 1.00 2.99 O ATOM 2172 OE2 GLU A 139 -25.165 1.471 -6.793 1.00 1.94 O ATOM 2173 OXT GLU A 139 -27.736 4.144 -4.991 1.00 2.51 O ATOM 0 H GLU A 139 -24.678 5.527 -4.429 1.00 1.14 H new ATOM 0 HA GLU A 139 -26.513 6.748 -6.362 1.00 1.35 H new ATOM 0 HB2 GLU A 139 -26.485 4.357 -7.273 1.00 1.47 H new ATOM 0 HB3 GLU A 139 -25.002 5.282 -7.406 1.00 1.47 H new ATOM 0 HG2 GLU A 139 -24.019 4.112 -5.522 1.00 1.46 H new ATOM 0 HG3 GLU A 139 -25.537 3.315 -5.157 1.00 1.46 H new TER 2180 GLU A 139