USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 862 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 28 ASN : amide:sc= -0.426 X(o=0.63,f=0.77) USER MOD Set 1.2: B 32 SER OG : rot 81:sc= 1.23 USER MOD Set 1.3: B 78 HIS : no HD1:sc= -0.171 X(o=0.63,f=0.97) USER MOD Set 2.1: A 28 ASN : amide:sc= -0.428 X(o=0.64,f=0.74) USER MOD Set 2.2: A 32 SER OG : rot 79:sc= 1.24 USER MOD Set 2.3: A 78 HIS : no HD1:sc= -0.172 X(o=0.64,f=0.96) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= -0.0166 (180deg=-0.115) USER MOD Single : A 29 TYR OH : rot 15:sc= -0.089 USER MOD Single : A 31 SER OG : rot -79:sc= 1.12 USER MOD Single : A 36 LYS NZ :NH3+ -166:sc= 0.904 (180deg=0.653) USER MOD Single : A 37 LYS NZ :NH3+ -156:sc= 0.402 (180deg=-0.0929) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 73:sc= 1.23 USER MOD Single : A 48 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.3) USER MOD Single : A 51 MET CE :methyl 153:sc= -1.14 (180deg=-2.69!) USER MOD Single : A 53 CYS SG : rot 56:sc= -0.199 USER MOD Single : A 55 SER OG : rot -79:sc= 1.2 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0253 USER MOD Single : A 71 LYS NZ :NH3+ 161:sc= -0.099 (180deg=-0.544) USER MOD Single : A 72 SER OG : rot -30:sc= 0.0377 USER MOD Single : A 84 ASN : amide:sc= -0.296 K(o=-0.3,f=-1!) USER MOD Single : A 85 SER OG : rot 73:sc= 0.999 USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ -171:sc= -0.0176 (180deg=-0.128) USER MOD Single : B 29 TYR OH : rot 15:sc= -0.142 USER MOD Single : B 31 SER OG : rot -81:sc= 1.16 USER MOD Single : B 36 LYS NZ :NH3+ -166:sc= 0.916 (180deg=0.678) USER MOD Single : B 37 LYS NZ :NH3+ -158:sc= 0.27 (180deg=-0.0139) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 46 SER OG : rot 75:sc= 1.27 USER MOD Single : B 48 ASN : amide:sc= -1.35 X(o=-1.4,f=-1.2) USER MOD Single : B 51 MET CE :methyl 151:sc= -1.07 (180deg=-2.63!) USER MOD Single : B 53 CYS SG : rot 56:sc= -0.0886 USER MOD Single : B 55 SER OG : rot -79:sc= 1.2 USER MOD Single : B 66 SER OG : rot 180:sc= 0.0247 USER MOD Single : B 71 LYS NZ :NH3+ 161:sc= -0.137 (180deg=-0.567) USER MOD Single : B 72 SER OG : rot -28:sc= 0.0125 USER MOD Single : B 84 ASN : amide:sc= -0.248 K(o=-0.25,f=-1.1!) USER MOD Single : B 85 SER OG : rot 74:sc= 0.964 USER MOD ----------------------------------------------------------------- ATOM 48 N ALA A 17 -8.639 -7.045 7.046 1.00 0.93 N ATOM 49 CA ALA A 17 -7.429 -6.612 6.352 1.00 0.81 C ATOM 50 C ALA A 17 -6.182 -6.988 7.144 1.00 0.69 C ATOM 51 O ALA A 17 -5.599 -6.156 7.842 1.00 0.70 O ATOM 52 CB ALA A 17 -7.471 -5.113 6.078 1.00 1.09 C ATOM 0 HA ALA A 17 -7.384 -7.130 5.394 1.00 0.81 H new ATOM 0 HB1 ALA A 17 -6.560 -4.812 5.561 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -8.335 -4.881 5.456 1.00 1.09 H new ATOM 0 HB3 ALA A 17 -7.548 -4.573 7.022 1.00 1.09 H new ATOM 58 N SER A 18 -5.780 -8.245 7.038 1.00 0.64 N ATOM 59 CA SER A 18 -4.621 -8.733 7.762 1.00 0.61 C ATOM 60 C SER A 18 -3.341 -8.194 7.131 1.00 0.50 C ATOM 61 O SER A 18 -3.345 -7.786 5.966 1.00 0.45 O ATOM 62 CB SER A 18 -4.608 -10.265 7.787 1.00 0.66 C ATOM 63 OG SER A 18 -3.580 -10.761 8.629 1.00 1.32 O ATOM 0 H SER A 18 -6.241 -8.945 6.457 1.00 0.64 H new ATOM 0 HA SER A 18 -4.677 -8.377 8.791 1.00 0.61 H new ATOM 0 HB2 SER A 18 -5.574 -10.633 8.134 1.00 0.66 H new ATOM 0 HB3 SER A 18 -4.467 -10.646 6.775 1.00 0.66 H new ATOM 0 HG SER A 18 -3.598 -11.741 8.625 1.00 1.32 H new ATOM 69 N LYS A 19 -2.254 -8.194 7.894 1.00 0.50 N ATOM 70 CA LYS A 19 -1.000 -7.587 7.454 1.00 0.43 C ATOM 71 C LYS A 19 -0.559 -8.145 6.102 1.00 0.34 C ATOM 72 O LYS A 19 -0.291 -7.390 5.164 1.00 0.28 O ATOM 73 CB LYS A 19 0.094 -7.824 8.498 1.00 0.54 C ATOM 74 CG LYS A 19 -0.300 -7.407 9.904 1.00 0.84 C ATOM 75 CD LYS A 19 0.874 -7.506 10.864 1.00 1.12 C ATOM 76 CE LYS A 19 0.449 -7.225 12.297 1.00 1.73 C ATOM 77 NZ LYS A 19 -0.194 -5.892 12.439 1.00 2.10 N ATOM 0 H LYS A 19 -2.215 -8.609 8.825 1.00 0.50 H new ATOM 0 HA LYS A 19 -1.166 -6.516 7.342 1.00 0.43 H new ATOM 0 HB2 LYS A 19 0.356 -8.882 8.503 1.00 0.54 H new ATOM 0 HB3 LYS A 19 0.989 -7.276 8.204 1.00 0.54 H new ATOM 0 HG2 LYS A 19 -0.674 -6.383 9.890 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -1.115 -8.039 10.257 1.00 0.84 H new ATOM 0 HD2 LYS A 19 1.312 -8.502 10.802 1.00 1.12 H new ATOM 0 HD3 LYS A 19 1.648 -6.798 10.568 1.00 1.12 H new ATOM 0 HE2 LYS A 19 -0.244 -7.998 12.627 1.00 1.73 H new ATOM 0 HE3 LYS A 19 1.320 -7.278 12.950 1.00 1.73 H new ATOM 0 HZ1 LYS A 19 -0.329 -5.677 13.448 1.00 2.10 H new ATOM 0 HZ2 LYS A 19 0.414 -5.166 12.009 1.00 2.10 H new ATOM 0 HZ3 LYS A 19 -1.117 -5.899 11.960 1.00 2.10 H new ATOM 91 N GLU A 20 -0.513 -9.471 6.011 1.00 0.41 N ATOM 92 CA GLU A 20 -0.078 -10.152 4.794 1.00 0.41 C ATOM 93 C GLU A 20 -0.963 -9.789 3.604 1.00 0.34 C ATOM 94 O GLU A 20 -0.468 -9.607 2.493 1.00 0.30 O ATOM 95 CB GLU A 20 -0.075 -11.668 5.012 1.00 0.57 C ATOM 96 CG GLU A 20 -1.418 -12.226 5.457 1.00 0.64 C ATOM 97 CD GLU A 20 -1.351 -13.692 5.816 1.00 0.95 C ATOM 98 OE1 GLU A 20 -0.850 -14.014 6.915 1.00 1.57 O ATOM 99 OE2 GLU A 20 -1.804 -14.529 5.011 1.00 1.49 O ATOM 0 H GLU A 20 -0.773 -10.100 6.771 1.00 0.41 H new ATOM 0 HA GLU A 20 0.935 -9.821 4.567 1.00 0.41 H new ATOM 0 HB2 GLU A 20 0.223 -12.158 4.085 1.00 0.57 H new ATOM 0 HB3 GLU A 20 0.677 -11.917 5.760 1.00 0.57 H new ATOM 0 HG2 GLU A 20 -1.774 -11.661 6.319 1.00 0.64 H new ATOM 0 HG3 GLU A 20 -2.148 -12.084 4.660 1.00 0.64 H new ATOM 106 N GLU A 21 -2.266 -9.664 3.848 1.00 0.37 N ATOM 107 CA GLU A 21 -3.221 -9.340 2.793 1.00 0.39 C ATOM 108 C GLU A 21 -2.934 -7.959 2.220 1.00 0.32 C ATOM 109 O GLU A 21 -2.884 -7.772 1.004 1.00 0.34 O ATOM 110 CB GLU A 21 -4.651 -9.378 3.335 1.00 0.50 C ATOM 111 CG GLU A 21 -5.063 -10.723 3.908 1.00 0.61 C ATOM 112 CD GLU A 21 -6.511 -10.743 4.360 1.00 0.91 C ATOM 113 OE1 GLU A 21 -6.834 -10.069 5.362 1.00 1.54 O ATOM 114 OE2 GLU A 21 -7.330 -11.433 3.710 1.00 1.49 O ATOM 0 H GLU A 21 -2.685 -9.783 4.771 1.00 0.37 H new ATOM 0 HA GLU A 21 -3.117 -10.084 2.003 1.00 0.39 H new ATOM 0 HB2 GLU A 21 -4.754 -8.618 4.110 1.00 0.50 H new ATOM 0 HB3 GLU A 21 -5.339 -9.111 2.533 1.00 0.50 H new ATOM 0 HG2 GLU A 21 -4.910 -11.497 3.156 1.00 0.61 H new ATOM 0 HG3 GLU A 21 -4.419 -10.967 4.753 1.00 0.61 H new ATOM 121 N ILE A 22 -2.733 -7.000 3.111 1.00 0.30 N ATOM 122 CA ILE A 22 -2.477 -5.623 2.716 1.00 0.28 C ATOM 123 C ILE A 22 -1.149 -5.505 1.982 1.00 0.24 C ATOM 124 O ILE A 22 -1.079 -4.927 0.899 1.00 0.26 O ATOM 125 CB ILE A 22 -2.466 -4.691 3.941 1.00 0.30 C ATOM 126 CG1 ILE A 22 -3.784 -4.820 4.702 1.00 0.36 C ATOM 127 CG2 ILE A 22 -2.229 -3.247 3.514 1.00 0.31 C ATOM 128 CD1 ILE A 22 -3.800 -4.070 6.009 1.00 0.44 C ATOM 0 H ILE A 22 -2.742 -7.152 4.120 1.00 0.30 H new ATOM 0 HA ILE A 22 -3.283 -5.322 2.046 1.00 0.28 H new ATOM 0 HB ILE A 22 -1.650 -4.985 4.601 1.00 0.30 H new ATOM 0 HG12 ILE A 22 -4.595 -4.454 4.072 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -3.981 -5.875 4.895 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.225 -2.603 4.394 1.00 0.31 H new ATOM 0 HG22 ILE A 22 -1.269 -3.171 3.004 1.00 0.31 H new ATOM 0 HG23 ILE A 22 -3.024 -2.932 2.838 1.00 0.31 H new ATOM 0 HD11 ILE A 22 -4.766 -4.206 6.495 1.00 0.44 H new ATOM 0 HD12 ILE A 22 -3.011 -4.451 6.657 1.00 0.44 H new ATOM 0 HD13 ILE A 22 -3.634 -3.009 5.822 1.00 0.44 H new ATOM 135 N ALA A 23 -0.103 -6.070 2.574 1.00 0.20 N ATOM 136 CA ALA A 23 1.229 -6.030 1.984 1.00 0.19 C ATOM 137 C ALA A 23 1.229 -6.653 0.596 1.00 0.20 C ATOM 138 O ALA A 23 1.900 -6.167 -0.316 1.00 0.20 O ATOM 139 CB ALA A 23 2.223 -6.747 2.878 1.00 0.20 C ATOM 0 H ALA A 23 -0.153 -6.563 3.466 1.00 0.20 H new ATOM 0 HA ALA A 23 1.526 -4.985 1.890 1.00 0.19 H new ATOM 0 HB1 ALA A 23 3.213 -6.709 2.425 1.00 0.20 H new ATOM 0 HB2 ALA A 23 2.252 -6.261 3.853 1.00 0.20 H new ATOM 0 HB3 ALA A 23 1.919 -7.787 2.999 1.00 0.20 H new ATOM 145 N ALA A 24 0.460 -7.724 0.448 1.00 0.22 N ATOM 146 CA ALA A 24 0.325 -8.406 -0.827 1.00 0.25 C ATOM 147 C ALA A 24 -0.252 -7.471 -1.887 1.00 0.24 C ATOM 148 O ALA A 24 0.215 -7.438 -3.021 1.00 0.25 O ATOM 149 CB ALA A 24 -0.553 -9.636 -0.662 1.00 0.31 C ATOM 0 H ALA A 24 -0.083 -8.140 1.204 1.00 0.22 H new ATOM 0 HA ALA A 24 1.314 -8.719 -1.162 1.00 0.25 H new ATOM 0 HB1 ALA A 24 -0.651 -10.144 -1.621 1.00 0.31 H new ATOM 0 HB2 ALA A 24 -0.099 -10.312 0.062 1.00 0.31 H new ATOM 0 HB3 ALA A 24 -1.539 -9.334 -0.309 1.00 0.31 H new ATOM 155 N LEU A 25 -1.255 -6.698 -1.501 1.00 0.23 N ATOM 156 CA LEU A 25 -1.879 -5.743 -2.409 1.00 0.23 C ATOM 157 C LEU A 25 -0.932 -4.587 -2.709 1.00 0.22 C ATOM 158 O LEU A 25 -0.907 -4.059 -3.823 1.00 0.25 O ATOM 159 CB LEU A 25 -3.171 -5.205 -1.801 1.00 0.26 C ATOM 160 CG LEU A 25 -4.251 -6.250 -1.541 1.00 0.36 C ATOM 161 CD1 LEU A 25 -5.395 -5.638 -0.759 1.00 0.46 C ATOM 162 CD2 LEU A 25 -4.754 -6.834 -2.851 1.00 0.44 C ATOM 0 H LEU A 25 -1.656 -6.712 -0.563 1.00 0.23 H new ATOM 0 HA LEU A 25 -2.108 -6.259 -3.341 1.00 0.23 H new ATOM 0 HB2 LEU A 25 -2.932 -4.711 -0.859 1.00 0.26 H new ATOM 0 HB3 LEU A 25 -3.577 -4.444 -2.467 1.00 0.26 H new ATOM 0 HG LEU A 25 -3.818 -7.057 -0.950 1.00 0.36 H new ATOM 0 HD11 LEU A 25 -6.159 -6.394 -0.580 1.00 0.46 H new ATOM 0 HD12 LEU A 25 -5.024 -5.264 0.195 1.00 0.46 H new ATOM 0 HD13 LEU A 25 -5.826 -4.815 -1.329 1.00 0.46 H new ATOM 0 HD21 LEU A 25 -5.524 -7.578 -2.646 1.00 0.44 H new ATOM 0 HD22 LEU A 25 -5.173 -6.038 -3.467 1.00 0.44 H new ATOM 0 HD23 LEU A 25 -3.926 -7.305 -3.381 1.00 0.44 H new ATOM 174 N ILE A 26 -0.157 -4.200 -1.704 1.00 0.21 N ATOM 175 CA ILE A 26 0.803 -3.114 -1.842 1.00 0.22 C ATOM 176 C ILE A 26 1.884 -3.464 -2.865 1.00 0.20 C ATOM 177 O ILE A 26 2.143 -2.692 -3.793 1.00 0.23 O ATOM 178 CB ILE A 26 1.451 -2.769 -0.482 1.00 0.22 C ATOM 179 CG1 ILE A 26 0.387 -2.236 0.484 1.00 0.26 C ATOM 180 CG2 ILE A 26 2.569 -1.753 -0.661 1.00 0.25 C ATOM 181 CD1 ILE A 26 0.904 -1.966 1.879 1.00 0.27 C ATOM 0 H ILE A 26 -0.176 -4.626 -0.778 1.00 0.21 H new ATOM 0 HA ILE A 26 0.259 -2.239 -2.198 1.00 0.22 H new ATOM 0 HB ILE A 26 1.884 -3.676 -0.061 1.00 0.22 H new ATOM 0 HG12 ILE A 26 -0.030 -1.315 0.077 1.00 0.26 H new ATOM 0 HG13 ILE A 26 -0.429 -2.956 0.543 1.00 0.26 H new ATOM 0 HG21 ILE A 26 3.011 -1.524 0.309 1.00 0.25 H new ATOM 0 HG22 ILE A 26 3.333 -2.165 -1.320 1.00 0.25 H new ATOM 0 HG23 ILE A 26 2.165 -0.841 -1.100 1.00 0.25 H new ATOM 0 HD11 ILE A 26 0.092 -1.592 2.502 1.00 0.27 H new ATOM 0 HD12 ILE A 26 1.294 -2.889 2.308 1.00 0.27 H new ATOM 0 HD13 ILE A 26 1.700 -1.222 1.835 1.00 0.27 H new ATOM 188 N VAL A 27 2.496 -4.634 -2.712 1.00 0.18 N ATOM 189 CA VAL A 27 3.528 -5.070 -3.645 1.00 0.20 C ATOM 190 C VAL A 27 2.922 -5.363 -5.016 1.00 0.22 C ATOM 191 O VAL A 27 3.572 -5.179 -6.046 1.00 0.24 O ATOM 192 CB VAL A 27 4.305 -6.310 -3.133 1.00 0.21 C ATOM 193 CG1 VAL A 27 5.008 -5.998 -1.823 1.00 0.21 C ATOM 194 CG2 VAL A 27 3.390 -7.514 -2.970 1.00 0.21 C ATOM 0 H VAL A 27 2.298 -5.292 -1.958 1.00 0.18 H new ATOM 0 HA VAL A 27 4.242 -4.251 -3.731 1.00 0.20 H new ATOM 0 HB VAL A 27 5.056 -6.561 -3.883 1.00 0.21 H new ATOM 0 HG11 VAL A 27 5.548 -6.881 -1.480 1.00 0.21 H new ATOM 0 HG12 VAL A 27 5.711 -5.179 -1.973 1.00 0.21 H new ATOM 0 HG13 VAL A 27 4.270 -5.710 -1.074 1.00 0.21 H new ATOM 0 HG21 VAL A 27 3.969 -8.365 -2.610 1.00 0.21 H new ATOM 0 HG22 VAL A 27 2.604 -7.279 -2.252 1.00 0.21 H new ATOM 0 HG23 VAL A 27 2.940 -7.762 -3.931 1.00 0.21 H new ATOM 198 N ASN A 28 1.665 -5.802 -5.020 1.00 0.26 N ATOM 199 CA ASN A 28 0.934 -6.038 -6.260 1.00 0.32 C ATOM 200 C ASN A 28 0.766 -4.739 -7.035 1.00 0.27 C ATOM 201 O ASN A 28 0.946 -4.700 -8.251 1.00 0.29 O ATOM 202 CB ASN A 28 -0.437 -6.655 -5.962 1.00 0.45 C ATOM 203 CG ASN A 28 -1.298 -6.814 -7.203 1.00 0.68 C ATOM 204 OD1 ASN A 28 -2.088 -5.931 -7.542 1.00 1.59 O ATOM 205 ND2 ASN A 28 -1.149 -7.935 -7.889 1.00 0.86 N ATOM 0 H ASN A 28 1.131 -6.002 -4.174 1.00 0.26 H new ATOM 0 HA ASN A 28 1.508 -6.736 -6.870 1.00 0.32 H new ATOM 0 HB2 ASN A 28 -0.297 -7.630 -5.496 1.00 0.45 H new ATOM 0 HB3 ASN A 28 -0.962 -6.029 -5.240 1.00 0.45 H new ATOM 0 HD21 ASN A 28 -1.699 -8.093 -8.733 1.00 0.86 H new ATOM 0 HD22 ASN A 28 -0.484 -8.641 -7.574 1.00 0.86 H new ATOM 212 N TYR A 29 0.433 -3.672 -6.322 1.00 0.25 N ATOM 213 CA TYR A 29 0.274 -2.364 -6.940 1.00 0.24 C ATOM 214 C TYR A 29 1.589 -1.889 -7.547 1.00 0.19 C ATOM 215 O TYR A 29 1.639 -1.526 -8.720 1.00 0.19 O ATOM 216 CB TYR A 29 -0.240 -1.344 -5.919 1.00 0.29 C ATOM 217 CG TYR A 29 -0.342 0.064 -6.466 1.00 0.32 C ATOM 218 CD1 TYR A 29 -1.161 0.352 -7.552 1.00 1.20 C ATOM 219 CD2 TYR A 29 0.387 1.104 -5.901 1.00 1.23 C ATOM 220 CE1 TYR A 29 -1.248 1.635 -8.059 1.00 1.22 C ATOM 221 CE2 TYR A 29 0.300 2.390 -6.401 1.00 1.25 C ATOM 222 CZ TYR A 29 -0.517 2.649 -7.480 1.00 0.43 C ATOM 223 OH TYR A 29 -0.600 3.927 -7.985 1.00 0.50 O ATOM 0 H TYR A 29 0.268 -3.687 -5.316 1.00 0.25 H new ATOM 0 HA TYR A 29 -0.461 -2.455 -7.740 1.00 0.24 H new ATOM 0 HB2 TYR A 29 -1.222 -1.659 -5.566 1.00 0.29 H new ATOM 0 HB3 TYR A 29 0.424 -1.342 -5.055 1.00 0.29 H new ATOM 0 HD1 TYR A 29 -1.738 -0.439 -8.007 1.00 1.20 H new ATOM 0 HD2 TYR A 29 1.032 0.904 -5.058 1.00 1.23 H new ATOM 0 HE1 TYR A 29 -1.886 1.842 -8.905 1.00 1.22 H new ATOM 0 HE2 TYR A 29 0.870 3.188 -5.948 1.00 1.25 H new ATOM 0 HH TYR A 29 -1.378 3.995 -8.578 1.00 0.50 H new ATOM 233 N PHE A 30 2.652 -1.918 -6.750 1.00 0.16 N ATOM 234 CA PHE A 30 3.957 -1.440 -7.197 1.00 0.16 C ATOM 235 C PHE A 30 4.463 -2.237 -8.396 1.00 0.18 C ATOM 236 O PHE A 30 4.956 -1.661 -9.367 1.00 0.21 O ATOM 237 CB PHE A 30 4.983 -1.505 -6.066 1.00 0.19 C ATOM 238 CG PHE A 30 4.736 -0.535 -4.941 1.00 0.19 C ATOM 239 CD1 PHE A 30 4.206 0.725 -5.184 1.00 1.19 C ATOM 240 CD2 PHE A 30 5.048 -0.882 -3.638 1.00 1.18 C ATOM 241 CE1 PHE A 30 3.992 1.611 -4.149 1.00 1.22 C ATOM 242 CE2 PHE A 30 4.837 0.004 -2.600 1.00 1.17 C ATOM 243 CZ PHE A 30 4.309 1.252 -2.856 1.00 0.25 C ATOM 0 H PHE A 30 2.636 -2.267 -5.792 1.00 0.16 H new ATOM 0 HA PHE A 30 3.830 -0.401 -7.500 1.00 0.16 H new ATOM 0 HB2 PHE A 30 4.994 -2.517 -5.660 1.00 0.19 H new ATOM 0 HB3 PHE A 30 5.974 -1.317 -6.480 1.00 0.19 H new ATOM 0 HD1 PHE A 30 3.959 1.015 -6.195 1.00 1.19 H new ATOM 0 HD2 PHE A 30 5.462 -1.858 -3.430 1.00 1.18 H new ATOM 0 HE1 PHE A 30 3.576 2.587 -4.351 1.00 1.22 H new ATOM 0 HE2 PHE A 30 5.085 -0.280 -1.588 1.00 1.17 H new ATOM 0 HZ PHE A 30 4.144 1.947 -2.046 1.00 0.25 H new ATOM 253 N SER A 31 4.324 -3.556 -8.338 1.00 0.21 N ATOM 254 CA SER A 31 4.787 -4.411 -9.423 1.00 0.27 C ATOM 255 C SER A 31 3.978 -4.160 -10.697 1.00 0.25 C ATOM 256 O SER A 31 4.474 -4.363 -11.804 1.00 0.27 O ATOM 257 CB SER A 31 4.712 -5.883 -9.015 1.00 0.35 C ATOM 258 OG SER A 31 3.411 -6.230 -8.580 1.00 1.15 O ATOM 0 H SER A 31 3.897 -4.054 -7.557 1.00 0.21 H new ATOM 0 HA SER A 31 5.828 -4.165 -9.631 1.00 0.27 H new ATOM 0 HB2 SER A 31 4.995 -6.512 -9.859 1.00 0.35 H new ATOM 0 HB3 SER A 31 5.429 -6.079 -8.217 1.00 0.35 H new ATOM 0 HG SER A 31 3.282 -5.924 -7.658 1.00 1.15 H new ATOM 264 N SER A 32 2.744 -3.697 -10.535 1.00 0.27 N ATOM 265 CA SER A 32 1.892 -3.374 -11.672 1.00 0.30 C ATOM 266 C SER A 32 2.341 -2.071 -12.334 1.00 0.28 C ATOM 267 O SER A 32 2.210 -1.899 -13.547 1.00 0.35 O ATOM 268 CB SER A 32 0.433 -3.265 -11.229 1.00 0.40 C ATOM 269 OG SER A 32 -0.025 -4.488 -10.679 1.00 0.99 O ATOM 0 H SER A 32 2.311 -3.537 -9.625 1.00 0.27 H new ATOM 0 HA SER A 32 1.979 -4.178 -12.402 1.00 0.30 H new ATOM 0 HB2 SER A 32 0.332 -2.470 -10.490 1.00 0.40 H new ATOM 0 HB3 SER A 32 -0.189 -2.990 -12.080 1.00 0.40 H new ATOM 0 HG SER A 32 0.301 -4.575 -9.759 1.00 0.99 H new ATOM 275 N ILE A 33 2.884 -1.160 -11.535 1.00 0.24 N ATOM 276 CA ILE A 33 3.352 0.121 -12.050 1.00 0.26 C ATOM 277 C ILE A 33 4.581 -0.078 -12.928 1.00 0.26 C ATOM 278 O ILE A 33 4.679 0.482 -14.022 1.00 0.31 O ATOM 279 CB ILE A 33 3.714 1.101 -10.914 1.00 0.30 C ATOM 280 CG1 ILE A 33 2.602 1.162 -9.868 1.00 0.30 C ATOM 281 CG2 ILE A 33 3.971 2.486 -11.485 1.00 0.43 C ATOM 282 CD1 ILE A 33 2.945 2.031 -8.677 1.00 0.34 C ATOM 0 H ILE A 33 3.011 -1.284 -10.531 1.00 0.24 H new ATOM 0 HA ILE A 33 2.534 0.546 -12.632 1.00 0.26 H new ATOM 0 HB ILE A 33 4.620 0.740 -10.426 1.00 0.30 H new ATOM 0 HG12 ILE A 33 1.694 1.541 -10.336 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.384 0.152 -9.521 1.00 0.30 H new ATOM 0 HG21 ILE A 33 4.226 3.171 -10.677 1.00 0.43 H new ATOM 0 HG22 ILE A 33 4.797 2.439 -12.195 1.00 0.43 H new ATOM 0 HG23 ILE A 33 3.075 2.842 -11.994 1.00 0.43 H new ATOM 0 HD11 ILE A 33 2.112 2.030 -7.974 1.00 0.34 H new ATOM 0 HD12 ILE A 33 3.836 1.640 -8.185 1.00 0.34 H new ATOM 0 HD13 ILE A 33 3.135 3.050 -9.013 1.00 0.34 H new ATOM 289 N VAL A 34 5.511 -0.891 -12.445 1.00 0.24 N ATOM 290 CA VAL A 34 6.754 -1.144 -13.163 1.00 0.31 C ATOM 291 C VAL A 34 6.551 -2.170 -14.274 1.00 0.37 C ATOM 292 O VAL A 34 7.384 -2.299 -15.168 1.00 0.47 O ATOM 293 CB VAL A 34 7.875 -1.626 -12.216 1.00 0.34 C ATOM 294 CG1 VAL A 34 8.199 -0.558 -11.184 1.00 0.35 C ATOM 295 CG2 VAL A 34 7.489 -2.928 -11.531 1.00 0.33 C ATOM 0 H VAL A 34 5.428 -1.387 -11.558 1.00 0.24 H new ATOM 0 HA VAL A 34 7.058 -0.195 -13.605 1.00 0.31 H new ATOM 0 HB VAL A 34 8.766 -1.810 -12.816 1.00 0.34 H new ATOM 0 HG11 VAL A 34 8.991 -0.916 -10.526 1.00 0.35 H new ATOM 0 HG12 VAL A 34 8.530 0.349 -11.690 1.00 0.35 H new ATOM 0 HG13 VAL A 34 7.309 -0.340 -10.594 1.00 0.35 H new ATOM 0 HG21 VAL A 34 8.296 -3.245 -10.870 1.00 0.33 H new ATOM 0 HG22 VAL A 34 6.581 -2.777 -10.948 1.00 0.33 H new ATOM 0 HG23 VAL A 34 7.313 -3.697 -12.283 1.00 0.33 H new ATOM 299 N GLU A 35 5.440 -2.896 -14.214 1.00 0.35 N ATOM 300 CA GLU A 35 5.125 -3.896 -15.226 1.00 0.46 C ATOM 301 C GLU A 35 4.850 -3.224 -16.565 1.00 0.50 C ATOM 302 O GLU A 35 5.414 -3.602 -17.590 1.00 0.61 O ATOM 303 CB GLU A 35 3.909 -4.722 -14.801 1.00 0.50 C ATOM 304 CG GLU A 35 3.662 -5.940 -15.675 1.00 0.70 C ATOM 305 CD GLU A 35 4.791 -6.942 -15.602 1.00 1.49 C ATOM 306 OE1 GLU A 35 4.825 -7.729 -14.636 1.00 2.19 O ATOM 307 OE2 GLU A 35 5.661 -6.942 -16.500 1.00 2.22 O ATOM 0 H GLU A 35 4.743 -2.810 -13.475 1.00 0.35 H new ATOM 0 HA GLU A 35 5.983 -4.560 -15.331 1.00 0.46 H new ATOM 0 HB2 GLU A 35 4.045 -5.047 -13.770 1.00 0.50 H new ATOM 0 HB3 GLU A 35 3.024 -4.086 -14.821 1.00 0.50 H new ATOM 0 HG2 GLU A 35 2.733 -6.421 -15.369 1.00 0.70 H new ATOM 0 HG3 GLU A 35 3.530 -5.621 -16.709 1.00 0.70 H new ATOM 314 N LYS A 36 3.989 -2.215 -16.546 1.00 0.47 N ATOM 315 CA LYS A 36 3.646 -1.490 -17.762 1.00 0.54 C ATOM 316 C LYS A 36 4.482 -0.219 -17.903 1.00 0.50 C ATOM 317 O LYS A 36 4.279 0.578 -18.821 1.00 0.60 O ATOM 318 CB LYS A 36 2.149 -1.169 -17.800 1.00 0.67 C ATOM 319 CG LYS A 36 1.597 -0.645 -16.485 1.00 0.71 C ATOM 320 CD LYS A 36 0.117 -0.319 -16.598 1.00 0.97 C ATOM 321 CE LYS A 36 -0.486 0.028 -15.247 1.00 1.42 C ATOM 322 NZ LYS A 36 -0.467 -1.134 -14.318 1.00 2.08 N ATOM 0 H LYS A 36 3.517 -1.881 -15.706 1.00 0.47 H new ATOM 0 HA LYS A 36 3.877 -2.133 -18.611 1.00 0.54 H new ATOM 0 HB2 LYS A 36 1.966 -0.430 -18.580 1.00 0.67 H new ATOM 0 HB3 LYS A 36 1.602 -2.069 -18.079 1.00 0.67 H new ATOM 0 HG2 LYS A 36 1.749 -1.388 -15.702 1.00 0.71 H new ATOM 0 HG3 LYS A 36 2.147 0.248 -16.188 1.00 0.71 H new ATOM 0 HD2 LYS A 36 -0.020 0.517 -17.284 1.00 0.97 H new ATOM 0 HD3 LYS A 36 -0.412 -1.171 -17.025 1.00 0.97 H new ATOM 0 HE2 LYS A 36 0.067 0.856 -14.804 1.00 1.42 H new ATOM 0 HE3 LYS A 36 -1.513 0.367 -15.384 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -1.088 -0.940 -13.507 1.00 2.08 H new ATOM 0 HZ2 LYS A 36 -0.804 -1.982 -14.816 1.00 2.08 H new ATOM 0 HZ3 LYS A 36 0.504 -1.293 -13.981 1.00 2.08 H new ATOM 336 N LYS A 37 5.422 -0.059 -16.968 1.00 0.47 N ATOM 337 CA LYS A 37 6.394 1.035 -16.980 1.00 0.54 C ATOM 338 C LYS A 37 5.698 2.398 -16.973 1.00 0.59 C ATOM 339 O LYS A 37 5.847 3.192 -17.898 1.00 0.75 O ATOM 340 CB LYS A 37 7.316 0.900 -18.198 1.00 0.71 C ATOM 341 CG LYS A 37 8.665 1.579 -18.029 1.00 1.18 C ATOM 342 CD LYS A 37 9.564 1.334 -19.230 1.00 1.41 C ATOM 343 CE LYS A 37 10.975 1.848 -18.988 1.00 1.98 C ATOM 344 NZ LYS A 37 10.995 3.306 -18.714 1.00 2.60 N ATOM 0 H LYS A 37 5.530 -0.691 -16.175 1.00 0.47 H new ATOM 0 HA LYS A 37 6.995 0.971 -16.073 1.00 0.54 H new ATOM 0 HB2 LYS A 37 7.476 -0.158 -18.404 1.00 0.71 H new ATOM 0 HB3 LYS A 37 6.815 1.322 -19.069 1.00 0.71 H new ATOM 0 HG2 LYS A 37 8.520 2.651 -17.894 1.00 1.18 H new ATOM 0 HG3 LYS A 37 9.151 1.207 -17.127 1.00 1.18 H new ATOM 0 HD2 LYS A 37 9.598 0.267 -19.448 1.00 1.41 H new ATOM 0 HD3 LYS A 37 9.143 1.826 -20.107 1.00 1.41 H new ATOM 0 HE2 LYS A 37 11.416 1.315 -18.146 1.00 1.98 H new ATOM 0 HE3 LYS A 37 11.593 1.634 -19.860 1.00 1.98 H new ATOM 0 HZ1 LYS A 37 11.931 3.691 -18.953 1.00 2.60 H new ATOM 0 HZ2 LYS A 37 10.269 3.778 -19.290 1.00 2.60 H new ATOM 0 HZ3 LYS A 37 10.799 3.473 -17.706 1.00 2.60 H new ATOM 358 N GLU A 38 4.945 2.666 -15.914 1.00 0.54 N ATOM 359 CA GLU A 38 4.175 3.901 -15.817 1.00 0.68 C ATOM 360 C GLU A 38 4.818 4.877 -14.844 1.00 0.69 C ATOM 361 O GLU A 38 4.368 6.014 -14.696 1.00 1.03 O ATOM 362 CB GLU A 38 2.742 3.600 -15.381 1.00 0.79 C ATOM 363 CG GLU A 38 1.883 3.020 -16.489 1.00 1.36 C ATOM 364 CD GLU A 38 1.594 4.026 -17.581 1.00 1.41 C ATOM 365 OE1 GLU A 38 2.382 4.114 -18.543 1.00 2.12 O ATOM 366 OE2 GLU A 38 0.570 4.733 -17.483 1.00 1.86 O ATOM 0 H GLU A 38 4.850 2.046 -15.110 1.00 0.54 H new ATOM 0 HA GLU A 38 4.160 4.363 -16.804 1.00 0.68 H new ATOM 0 HB2 GLU A 38 2.764 2.901 -14.545 1.00 0.79 H new ATOM 0 HB3 GLU A 38 2.281 4.518 -15.017 1.00 0.79 H new ATOM 0 HG2 GLU A 38 2.386 2.155 -16.920 1.00 1.36 H new ATOM 0 HG3 GLU A 38 0.943 2.665 -16.068 1.00 1.36 H new ATOM 373 N ILE A 39 5.866 4.426 -14.182 1.00 0.42 N ATOM 374 CA ILE A 39 6.566 5.256 -13.214 1.00 0.43 C ATOM 375 C ILE A 39 7.921 5.690 -13.774 1.00 0.48 C ATOM 376 O ILE A 39 8.406 5.106 -14.746 1.00 0.51 O ATOM 377 CB ILE A 39 6.749 4.500 -11.874 1.00 0.38 C ATOM 378 CG1 ILE A 39 7.244 5.443 -10.774 1.00 0.45 C ATOM 379 CG2 ILE A 39 7.701 3.324 -12.044 1.00 0.36 C ATOM 380 CD1 ILE A 39 7.258 4.817 -9.399 1.00 0.47 C ATOM 0 H ILE A 39 6.253 3.489 -14.295 1.00 0.42 H new ATOM 0 HA ILE A 39 5.966 6.145 -13.022 1.00 0.43 H new ATOM 0 HB ILE A 39 5.776 4.112 -11.572 1.00 0.38 H new ATOM 0 HG12 ILE A 39 8.251 5.778 -11.021 1.00 0.45 H new ATOM 0 HG13 ILE A 39 6.609 6.329 -10.754 1.00 0.45 H new ATOM 0 HG21 ILE A 39 7.815 2.807 -11.091 1.00 0.36 H new ATOM 0 HG22 ILE A 39 7.298 2.634 -12.785 1.00 0.36 H new ATOM 0 HG23 ILE A 39 8.673 3.688 -12.378 1.00 0.36 H new ATOM 0 HD11 ILE A 39 7.620 5.544 -8.672 1.00 0.47 H new ATOM 0 HD12 ILE A 39 6.248 4.507 -9.130 1.00 0.47 H new ATOM 0 HD13 ILE A 39 7.916 3.948 -9.402 1.00 0.47 H new ATOM 387 N SER A 40 8.507 6.725 -13.185 1.00 0.54 N ATOM 388 CA SER A 40 9.797 7.231 -13.627 1.00 0.62 C ATOM 389 C SER A 40 10.908 6.215 -13.346 1.00 0.53 C ATOM 390 O SER A 40 10.748 5.344 -12.486 1.00 0.48 O ATOM 391 CB SER A 40 10.097 8.556 -12.929 1.00 0.76 C ATOM 392 OG SER A 40 9.001 9.451 -13.049 1.00 1.82 O ATOM 0 H SER A 40 8.105 7.232 -12.396 1.00 0.54 H new ATOM 0 HA SER A 40 9.757 7.395 -14.704 1.00 0.62 H new ATOM 0 HB2 SER A 40 10.311 8.376 -11.876 1.00 0.76 H new ATOM 0 HB3 SER A 40 10.989 9.007 -13.364 1.00 0.76 H new ATOM 0 HG SER A 40 9.214 10.292 -12.594 1.00 1.82 H new ATOM 398 N GLU A 41 12.021 6.330 -14.059 1.00 0.59 N ATOM 399 CA GLU A 41 13.081 5.321 -14.008 1.00 0.60 C ATOM 400 C GLU A 41 13.590 5.105 -12.583 1.00 0.49 C ATOM 401 O GLU A 41 13.631 3.973 -12.092 1.00 0.46 O ATOM 402 CB GLU A 41 14.241 5.720 -14.923 1.00 0.78 C ATOM 403 CG GLU A 41 13.808 6.096 -16.333 1.00 1.07 C ATOM 404 CD GLU A 41 12.930 5.045 -16.985 1.00 1.43 C ATOM 405 OE1 GLU A 41 11.706 5.052 -16.745 1.00 2.19 O ATOM 406 OE2 GLU A 41 13.453 4.208 -17.750 1.00 1.99 O ATOM 0 H GLU A 41 12.217 7.113 -14.682 1.00 0.59 H new ATOM 0 HA GLU A 41 12.654 4.381 -14.356 1.00 0.60 H new ATOM 0 HB2 GLU A 41 14.769 6.563 -14.478 1.00 0.78 H new ATOM 0 HB3 GLU A 41 14.949 4.893 -14.978 1.00 0.78 H new ATOM 0 HG2 GLU A 41 13.269 7.043 -16.301 1.00 1.07 H new ATOM 0 HG3 GLU A 41 14.693 6.254 -16.949 1.00 1.07 H new ATOM 413 N ASP A 42 13.961 6.194 -11.920 1.00 0.52 N ATOM 414 CA ASP A 42 14.487 6.127 -10.559 1.00 0.52 C ATOM 415 C ASP A 42 13.430 5.593 -9.603 1.00 0.43 C ATOM 416 O ASP A 42 13.742 4.896 -8.635 1.00 0.47 O ATOM 417 CB ASP A 42 14.961 7.505 -10.085 1.00 0.62 C ATOM 418 CG ASP A 42 16.106 8.055 -10.914 1.00 1.50 C ATOM 419 OD1 ASP A 42 17.279 7.765 -10.590 1.00 2.30 O ATOM 420 OD2 ASP A 42 15.840 8.793 -11.887 1.00 2.21 O ATOM 0 H ASP A 42 13.908 7.138 -12.303 1.00 0.52 H new ATOM 0 HA ASP A 42 15.339 5.447 -10.565 1.00 0.52 H new ATOM 0 HB2 ASP A 42 14.125 8.203 -10.122 1.00 0.62 H new ATOM 0 HB3 ASP A 42 15.274 7.437 -9.043 1.00 0.62 H new ATOM 425 N GLY A 43 12.175 5.912 -9.892 1.00 0.39 N ATOM 426 CA GLY A 43 11.082 5.438 -9.073 1.00 0.37 C ATOM 427 C GLY A 43 10.905 3.939 -9.180 1.00 0.34 C ATOM 428 O GLY A 43 10.668 3.264 -8.180 1.00 0.35 O ATOM 0 H GLY A 43 11.896 6.493 -10.683 1.00 0.39 H new ATOM 0 HA2 GLY A 43 11.264 5.709 -8.033 1.00 0.37 H new ATOM 0 HA3 GLY A 43 10.160 5.935 -9.375 1.00 0.37 H new ATOM 432 N ALA A 44 11.034 3.422 -10.396 1.00 0.33 N ATOM 433 CA ALA A 44 10.928 1.990 -10.638 1.00 0.33 C ATOM 434 C ALA A 44 12.010 1.236 -9.878 1.00 0.32 C ATOM 435 O ALA A 44 11.745 0.217 -9.242 1.00 0.31 O ATOM 436 CB ALA A 44 11.030 1.702 -12.128 1.00 0.38 C ATOM 0 H ALA A 44 11.213 3.977 -11.233 1.00 0.33 H new ATOM 0 HA ALA A 44 9.957 1.649 -10.279 1.00 0.33 H new ATOM 0 HB1 ALA A 44 10.950 0.628 -12.297 1.00 0.38 H new ATOM 0 HB2 ALA A 44 10.224 2.214 -12.654 1.00 0.38 H new ATOM 0 HB3 ALA A 44 11.990 2.057 -12.502 1.00 0.38 H new ATOM 442 N ASP A 45 13.228 1.763 -9.936 1.00 0.36 N ATOM 443 CA ASP A 45 14.358 1.175 -9.225 1.00 0.38 C ATOM 444 C ASP A 45 14.115 1.190 -7.719 1.00 0.36 C ATOM 445 O ASP A 45 14.413 0.221 -7.019 1.00 0.37 O ATOM 446 CB ASP A 45 15.642 1.939 -9.552 1.00 0.48 C ATOM 447 CG ASP A 45 16.847 1.393 -8.811 1.00 1.11 C ATOM 448 OD1 ASP A 45 17.447 0.405 -9.281 1.00 1.81 O ATOM 449 OD2 ASP A 45 17.208 1.961 -7.761 1.00 1.84 O ATOM 0 H ASP A 45 13.459 2.600 -10.471 1.00 0.36 H new ATOM 0 HA ASP A 45 14.465 0.140 -9.549 1.00 0.38 H new ATOM 0 HB2 ASP A 45 15.827 1.890 -10.625 1.00 0.48 H new ATOM 0 HB3 ASP A 45 15.510 2.991 -9.299 1.00 0.48 H new ATOM 454 N SER A 46 13.552 2.287 -7.231 1.00 0.38 N ATOM 455 CA SER A 46 13.242 2.426 -5.817 1.00 0.41 C ATOM 456 C SER A 46 12.184 1.408 -5.390 1.00 0.36 C ATOM 457 O SER A 46 12.204 0.911 -4.266 1.00 0.39 O ATOM 458 CB SER A 46 12.771 3.850 -5.522 1.00 0.51 C ATOM 459 OG SER A 46 13.762 4.795 -5.893 1.00 0.98 O ATOM 0 H SER A 46 13.300 3.097 -7.798 1.00 0.38 H new ATOM 0 HA SER A 46 14.147 2.230 -5.242 1.00 0.41 H new ATOM 0 HB2 SER A 46 11.848 4.052 -6.065 1.00 0.51 H new ATOM 0 HB3 SER A 46 12.545 3.951 -4.460 1.00 0.51 H new ATOM 0 HG SER A 46 13.796 4.867 -6.870 1.00 0.98 H new ATOM 465 N LEU A 47 11.275 1.082 -6.300 1.00 0.32 N ATOM 466 CA LEU A 47 10.244 0.091 -6.020 1.00 0.30 C ATOM 467 C LEU A 47 10.837 -1.310 -5.965 1.00 0.27 C ATOM 468 O LEU A 47 10.282 -2.201 -5.328 1.00 0.29 O ATOM 469 CB LEU A 47 9.130 0.151 -7.067 1.00 0.30 C ATOM 470 CG LEU A 47 8.270 1.415 -7.030 1.00 0.35 C ATOM 471 CD1 LEU A 47 7.186 1.354 -8.096 1.00 0.39 C ATOM 472 CD2 LEU A 47 7.652 1.598 -5.652 1.00 0.41 C ATOM 0 H LEU A 47 11.230 1.488 -7.235 1.00 0.32 H new ATOM 0 HA LEU A 47 9.816 0.324 -5.045 1.00 0.30 H new ATOM 0 HB2 LEU A 47 9.578 0.065 -8.057 1.00 0.30 H new ATOM 0 HB3 LEU A 47 8.481 -0.715 -6.934 1.00 0.30 H new ATOM 0 HG LEU A 47 8.909 2.273 -7.238 1.00 0.35 H new ATOM 0 HD11 LEU A 47 6.584 2.262 -8.055 1.00 0.39 H new ATOM 0 HD12 LEU A 47 7.648 1.269 -9.080 1.00 0.39 H new ATOM 0 HD13 LEU A 47 6.549 0.488 -7.918 1.00 0.39 H new ATOM 0 HD21 LEU A 47 7.043 2.502 -5.643 1.00 0.41 H new ATOM 0 HD22 LEU A 47 7.026 0.737 -5.417 1.00 0.41 H new ATOM 0 HD23 LEU A 47 8.443 1.686 -4.907 1.00 0.41 H new ATOM 484 N ASN A 48 11.975 -1.499 -6.622 1.00 0.26 N ATOM 485 CA ASN A 48 12.634 -2.799 -6.642 1.00 0.26 C ATOM 486 C ASN A 48 13.208 -3.128 -5.269 1.00 0.28 C ATOM 487 O ASN A 48 12.944 -4.198 -4.723 1.00 0.32 O ATOM 488 CB ASN A 48 13.748 -2.835 -7.692 1.00 0.28 C ATOM 489 CG ASN A 48 13.235 -2.692 -9.114 1.00 0.33 C ATOM 490 OD1 ASN A 48 13.910 -2.120 -9.971 1.00 0.48 O ATOM 491 ND2 ASN A 48 12.054 -3.223 -9.387 1.00 0.40 N ATOM 0 H ASN A 48 12.460 -0.771 -7.147 1.00 0.26 H new ATOM 0 HA ASN A 48 11.886 -3.547 -6.905 1.00 0.26 H new ATOM 0 HB2 ASN A 48 14.458 -2.034 -7.487 1.00 0.28 H new ATOM 0 HB3 ASN A 48 14.293 -3.775 -7.602 1.00 0.28 H new ATOM 0 HD21 ASN A 48 11.675 -3.166 -10.332 1.00 0.40 H new ATOM 0 HD22 ASN A 48 11.522 -3.689 -8.652 1.00 0.40 H new ATOM 498 N VAL A 49 13.985 -2.207 -4.707 1.00 0.27 N ATOM 499 CA VAL A 49 14.543 -2.408 -3.373 1.00 0.29 C ATOM 500 C VAL A 49 13.430 -2.424 -2.327 1.00 0.30 C ATOM 501 O VAL A 49 13.475 -3.198 -1.369 1.00 0.32 O ATOM 502 CB VAL A 49 15.609 -1.338 -3.016 1.00 0.32 C ATOM 503 CG1 VAL A 49 15.062 0.069 -3.181 1.00 0.34 C ATOM 504 CG2 VAL A 49 16.132 -1.540 -1.598 1.00 0.36 C ATOM 0 H VAL A 49 14.241 -1.324 -5.148 1.00 0.27 H new ATOM 0 HA VAL A 49 15.045 -3.375 -3.374 1.00 0.29 H new ATOM 0 HB VAL A 49 16.438 -1.461 -3.712 1.00 0.32 H new ATOM 0 HG11 VAL A 49 15.835 0.793 -2.923 1.00 0.34 H new ATOM 0 HG12 VAL A 49 14.754 0.221 -4.216 1.00 0.34 H new ATOM 0 HG13 VAL A 49 14.203 0.205 -2.523 1.00 0.34 H new ATOM 0 HG21 VAL A 49 16.877 -0.777 -1.373 1.00 0.36 H new ATOM 0 HG22 VAL A 49 15.306 -1.460 -0.891 1.00 0.36 H new ATOM 0 HG23 VAL A 49 16.587 -2.527 -1.515 1.00 0.36 H new ATOM 508 N ALA A 50 12.413 -1.592 -2.534 1.00 0.30 N ATOM 509 CA ALA A 50 11.263 -1.556 -1.641 1.00 0.34 C ATOM 510 C ALA A 50 10.520 -2.887 -1.668 1.00 0.34 C ATOM 511 O ALA A 50 9.976 -3.319 -0.658 1.00 0.37 O ATOM 512 CB ALA A 50 10.325 -0.419 -2.018 1.00 0.37 C ATOM 0 H ALA A 50 12.364 -0.935 -3.312 1.00 0.30 H new ATOM 0 HA ALA A 50 11.625 -1.383 -0.628 1.00 0.34 H new ATOM 0 HB1 ALA A 50 9.473 -0.410 -1.339 1.00 0.37 H new ATOM 0 HB2 ALA A 50 10.856 0.530 -1.946 1.00 0.37 H new ATOM 0 HB3 ALA A 50 9.973 -0.561 -3.040 1.00 0.37 H new ATOM 518 N MET A 51 10.524 -3.532 -2.829 1.00 0.34 N ATOM 519 CA MET A 51 9.847 -4.812 -3.012 1.00 0.39 C ATOM 520 C MET A 51 10.377 -5.846 -2.027 1.00 0.31 C ATOM 521 O MET A 51 9.606 -6.546 -1.366 1.00 0.30 O ATOM 522 CB MET A 51 10.048 -5.303 -4.446 1.00 0.52 C ATOM 523 CG MET A 51 9.041 -6.348 -4.891 1.00 0.62 C ATOM 524 SD MET A 51 7.341 -5.750 -4.805 1.00 0.65 S ATOM 525 CE MET A 51 7.516 -4.109 -5.509 1.00 0.41 C ATOM 0 H MET A 51 10.993 -3.186 -3.666 1.00 0.34 H new ATOM 0 HA MET A 51 8.782 -4.673 -2.825 1.00 0.39 H new ATOM 0 HB2 MET A 51 9.992 -4.450 -5.122 1.00 0.52 H new ATOM 0 HB3 MET A 51 11.051 -5.718 -4.539 1.00 0.52 H new ATOM 0 HG2 MET A 51 9.265 -6.651 -5.914 1.00 0.62 H new ATOM 0 HG3 MET A 51 9.143 -7.235 -4.266 1.00 0.62 H new ATOM 0 HE1 MET A 51 6.572 -3.805 -5.962 1.00 0.41 H new ATOM 0 HE2 MET A 51 7.786 -3.403 -4.724 1.00 0.41 H new ATOM 0 HE3 MET A 51 8.296 -4.121 -6.270 1.00 0.41 H new ATOM 535 N ASP A 52 11.701 -5.929 -1.929 1.00 0.31 N ATOM 536 CA ASP A 52 12.342 -6.818 -0.965 1.00 0.32 C ATOM 537 C ASP A 52 11.975 -6.416 0.452 1.00 0.28 C ATOM 538 O ASP A 52 11.667 -7.260 1.288 1.00 0.30 O ATOM 539 CB ASP A 52 13.867 -6.791 -1.118 1.00 0.42 C ATOM 540 CG ASP A 52 14.358 -7.554 -2.330 1.00 1.16 C ATOM 541 OD1 ASP A 52 14.593 -8.775 -2.216 1.00 1.99 O ATOM 542 OD2 ASP A 52 14.526 -6.938 -3.400 1.00 1.84 O ATOM 0 H ASP A 52 12.350 -5.392 -2.504 1.00 0.31 H new ATOM 0 HA ASP A 52 11.986 -7.829 -1.162 1.00 0.32 H new ATOM 0 HB2 ASP A 52 14.200 -5.756 -1.189 1.00 0.42 H new ATOM 0 HB3 ASP A 52 14.323 -7.212 -0.222 1.00 0.42 H new ATOM 547 N CYS A 53 11.991 -5.115 0.704 1.00 0.27 N ATOM 548 CA CYS A 53 11.729 -4.580 2.033 1.00 0.27 C ATOM 549 C CYS A 53 10.314 -4.910 2.509 1.00 0.29 C ATOM 550 O CYS A 53 10.132 -5.392 3.625 1.00 0.36 O ATOM 551 CB CYS A 53 11.942 -3.068 2.033 1.00 0.36 C ATOM 552 SG CYS A 53 13.592 -2.559 1.497 1.00 1.05 S ATOM 0 H CYS A 53 12.185 -4.404 -0.002 1.00 0.27 H new ATOM 0 HA CYS A 53 12.428 -5.049 2.726 1.00 0.27 H new ATOM 0 HB2 CYS A 53 11.201 -2.607 1.380 1.00 0.36 H new ATOM 0 HB3 CYS A 53 11.764 -2.686 3.038 1.00 0.36 H new ATOM 0 HG CYS A 53 13.840 -3.057 0.322 1.00 1.05 H new ATOM 558 N ILE A 54 9.320 -4.656 1.663 1.00 0.26 N ATOM 559 CA ILE A 54 7.924 -4.895 2.024 1.00 0.29 C ATOM 560 C ILE A 54 7.683 -6.375 2.298 1.00 0.30 C ATOM 561 O ILE A 54 7.129 -6.744 3.333 1.00 0.33 O ATOM 562 CB ILE A 54 6.954 -4.430 0.913 1.00 0.29 C ATOM 563 CG1 ILE A 54 7.232 -2.976 0.525 1.00 0.31 C ATOM 564 CG2 ILE A 54 5.507 -4.582 1.379 1.00 0.33 C ATOM 565 CD1 ILE A 54 6.570 -2.556 -0.771 1.00 0.34 C ATOM 0 H ILE A 54 9.454 -4.285 0.722 1.00 0.26 H new ATOM 0 HA ILE A 54 7.729 -4.314 2.925 1.00 0.29 H new ATOM 0 HB ILE A 54 7.112 -5.057 0.035 1.00 0.29 H new ATOM 0 HG12 ILE A 54 6.888 -2.323 1.327 1.00 0.31 H new ATOM 0 HG13 ILE A 54 8.309 -2.832 0.436 1.00 0.31 H new ATOM 0 HG21 ILE A 54 4.833 -4.251 0.588 1.00 0.33 H new ATOM 0 HG22 ILE A 54 5.308 -5.628 1.612 1.00 0.33 H new ATOM 0 HG23 ILE A 54 5.346 -3.975 2.270 1.00 0.33 H new ATOM 0 HD11 ILE A 54 6.811 -1.514 -0.982 1.00 0.34 H new ATOM 0 HD12 ILE A 54 6.932 -3.184 -1.585 1.00 0.34 H new ATOM 0 HD13 ILE A 54 5.489 -2.667 -0.680 1.00 0.34 H new ATOM 572 N SER A 55 8.121 -7.218 1.373 1.00 0.30 N ATOM 573 CA SER A 55 7.904 -8.651 1.485 1.00 0.36 C ATOM 574 C SER A 55 8.626 -9.224 2.707 1.00 0.38 C ATOM 575 O SER A 55 8.039 -9.979 3.488 1.00 0.41 O ATOM 576 CB SER A 55 8.360 -9.349 0.198 1.00 0.40 C ATOM 577 OG SER A 55 9.681 -8.971 -0.157 1.00 0.80 O ATOM 0 H SER A 55 8.629 -6.932 0.536 1.00 0.30 H new ATOM 0 HA SER A 55 6.838 -8.832 1.622 1.00 0.36 H new ATOM 0 HB2 SER A 55 8.313 -10.430 0.332 1.00 0.40 H new ATOM 0 HB3 SER A 55 7.678 -9.099 -0.614 1.00 0.40 H new ATOM 0 HG SER A 55 9.666 -8.088 -0.582 1.00 0.80 H new ATOM 583 N GLU A 56 9.884 -8.834 2.884 1.00 0.39 N ATOM 584 CA GLU A 56 10.694 -9.313 3.998 1.00 0.48 C ATOM 585 C GLU A 56 10.125 -8.834 5.331 1.00 0.43 C ATOM 586 O GLU A 56 10.219 -9.526 6.343 1.00 0.46 O ATOM 587 CB GLU A 56 12.137 -8.826 3.843 1.00 0.60 C ATOM 588 CG GLU A 56 13.104 -9.418 4.854 1.00 0.83 C ATOM 589 CD GLU A 56 13.266 -10.914 4.690 1.00 1.81 C ATOM 590 OE1 GLU A 56 14.039 -11.335 3.805 1.00 2.66 O ATOM 591 OE2 GLU A 56 12.630 -11.678 5.447 1.00 2.38 O ATOM 0 H GLU A 56 10.367 -8.183 2.265 1.00 0.39 H new ATOM 0 HA GLU A 56 10.678 -10.403 3.989 1.00 0.48 H new ATOM 0 HB2 GLU A 56 12.485 -9.068 2.839 1.00 0.60 H new ATOM 0 HB3 GLU A 56 12.154 -7.740 3.933 1.00 0.60 H new ATOM 0 HG2 GLU A 56 14.076 -8.936 4.748 1.00 0.83 H new ATOM 0 HG3 GLU A 56 12.749 -9.202 5.862 1.00 0.83 H new ATOM 598 N ALA A 57 9.527 -7.652 5.325 1.00 0.39 N ATOM 599 CA ALA A 57 8.979 -7.066 6.539 1.00 0.39 C ATOM 600 C ALA A 57 7.806 -7.879 7.074 1.00 0.33 C ATOM 601 O ALA A 57 7.659 -8.051 8.284 1.00 0.39 O ATOM 602 CB ALA A 57 8.555 -5.628 6.285 1.00 0.42 C ATOM 0 H ALA A 57 9.409 -7.078 4.490 1.00 0.39 H new ATOM 0 HA ALA A 57 9.762 -7.077 7.297 1.00 0.39 H new ATOM 0 HB1 ALA A 57 8.147 -5.202 7.201 1.00 0.42 H new ATOM 0 HB2 ALA A 57 9.419 -5.045 5.967 1.00 0.42 H new ATOM 0 HB3 ALA A 57 7.795 -5.605 5.504 1.00 0.42 H new ATOM 608 N PHE A 58 6.979 -8.387 6.172 1.00 0.29 N ATOM 609 CA PHE A 58 5.787 -9.123 6.568 1.00 0.28 C ATOM 610 C PHE A 58 6.039 -10.627 6.598 1.00 0.30 C ATOM 611 O PHE A 58 5.240 -11.388 7.146 1.00 0.38 O ATOM 612 CB PHE A 58 4.624 -8.795 5.636 1.00 0.26 C ATOM 613 CG PHE A 58 4.121 -7.383 5.774 1.00 0.25 C ATOM 614 CD1 PHE A 58 4.827 -6.323 5.233 1.00 1.24 C ATOM 615 CD2 PHE A 58 2.939 -7.121 6.446 1.00 1.18 C ATOM 616 CE1 PHE A 58 4.364 -5.027 5.357 1.00 1.22 C ATOM 617 CE2 PHE A 58 2.471 -5.826 6.573 1.00 1.22 C ATOM 618 CZ PHE A 58 3.185 -4.779 6.028 1.00 0.28 C ATOM 0 H PHE A 58 7.111 -8.304 5.164 1.00 0.29 H new ATOM 0 HA PHE A 58 5.527 -8.812 7.580 1.00 0.28 H new ATOM 0 HB2 PHE A 58 4.937 -8.961 4.605 1.00 0.26 H new ATOM 0 HB3 PHE A 58 3.804 -9.485 5.835 1.00 0.26 H new ATOM 0 HD1 PHE A 58 5.751 -6.511 4.707 1.00 1.24 H new ATOM 0 HD2 PHE A 58 2.377 -7.937 6.876 1.00 1.18 H new ATOM 0 HE1 PHE A 58 4.925 -4.209 4.929 1.00 1.22 H new ATOM 0 HE2 PHE A 58 1.547 -5.634 7.099 1.00 1.22 H new ATOM 0 HZ PHE A 58 2.821 -3.767 6.127 1.00 0.28 H new ATOM 628 N GLY A 59 7.143 -11.053 6.002 1.00 0.34 N ATOM 629 CA GLY A 59 7.541 -12.445 6.084 1.00 0.39 C ATOM 630 C GLY A 59 7.032 -13.282 4.926 1.00 0.38 C ATOM 631 O GLY A 59 6.551 -14.398 5.124 1.00 0.43 O ATOM 0 H GLY A 59 7.772 -10.459 5.462 1.00 0.34 H new ATOM 0 HA2 GLY A 59 8.629 -12.504 6.115 1.00 0.39 H new ATOM 0 HA3 GLY A 59 7.172 -12.867 7.019 1.00 0.39 H new ATOM 635 N PHE A 60 7.133 -12.749 3.719 1.00 0.35 N ATOM 636 CA PHE A 60 6.757 -13.495 2.526 1.00 0.39 C ATOM 637 C PHE A 60 7.628 -13.059 1.357 1.00 0.40 C ATOM 638 O PHE A 60 8.367 -12.086 1.464 1.00 0.42 O ATOM 639 CB PHE A 60 5.267 -13.298 2.192 1.00 0.40 C ATOM 640 CG PHE A 60 4.896 -11.917 1.710 1.00 0.31 C ATOM 641 CD1 PHE A 60 4.513 -10.933 2.606 1.00 1.19 C ATOM 642 CD2 PHE A 60 4.915 -11.613 0.357 1.00 1.22 C ATOM 643 CE1 PHE A 60 4.160 -9.671 2.160 1.00 1.22 C ATOM 644 CE2 PHE A 60 4.563 -10.356 -0.093 1.00 1.20 C ATOM 645 CZ PHE A 60 4.186 -9.384 0.809 1.00 0.33 C ATOM 0 H PHE A 60 7.472 -11.804 3.538 1.00 0.35 H new ATOM 0 HA PHE A 60 6.914 -14.557 2.716 1.00 0.39 H new ATOM 0 HB2 PHE A 60 4.983 -14.021 1.427 1.00 0.40 H new ATOM 0 HB3 PHE A 60 4.678 -13.526 3.080 1.00 0.40 H new ATOM 0 HD1 PHE A 60 4.489 -11.152 3.663 1.00 1.19 H new ATOM 0 HD2 PHE A 60 5.209 -12.370 -0.355 1.00 1.22 H new ATOM 0 HE1 PHE A 60 3.864 -8.911 2.868 1.00 1.22 H new ATOM 0 HE2 PHE A 60 4.583 -10.135 -1.150 1.00 1.20 H new ATOM 0 HZ PHE A 60 3.911 -8.400 0.460 1.00 0.33 H new ATOM 655 N GLU A 61 7.557 -13.784 0.256 1.00 0.48 N ATOM 656 CA GLU A 61 8.303 -13.416 -0.936 1.00 0.55 C ATOM 657 C GLU A 61 7.352 -13.029 -2.058 1.00 0.50 C ATOM 658 O GLU A 61 6.163 -13.337 -1.989 1.00 0.48 O ATOM 659 CB GLU A 61 9.212 -14.560 -1.380 1.00 0.70 C ATOM 660 CG GLU A 61 10.243 -14.954 -0.336 1.00 0.81 C ATOM 661 CD GLU A 61 11.175 -16.036 -0.829 1.00 1.48 C ATOM 662 OE1 GLU A 61 10.848 -17.227 -0.663 1.00 2.33 O ATOM 663 OE2 GLU A 61 12.234 -15.697 -1.397 1.00 2.05 O ATOM 0 H GLU A 61 6.993 -14.628 0.161 1.00 0.48 H new ATOM 0 HA GLU A 61 8.928 -12.556 -0.696 1.00 0.55 H new ATOM 0 HB2 GLU A 61 8.599 -15.429 -1.620 1.00 0.70 H new ATOM 0 HB3 GLU A 61 9.727 -14.270 -2.296 1.00 0.70 H new ATOM 0 HG2 GLU A 61 10.825 -14.077 -0.055 1.00 0.81 H new ATOM 0 HG3 GLU A 61 9.733 -15.299 0.563 1.00 0.81 H new ATOM 670 N ARG A 62 7.863 -12.363 -3.084 1.00 0.54 N ATOM 671 CA ARG A 62 7.019 -11.872 -4.170 1.00 0.53 C ATOM 672 C ARG A 62 6.228 -13.006 -4.817 1.00 0.53 C ATOM 673 O ARG A 62 5.034 -12.875 -5.050 1.00 0.64 O ATOM 674 CB ARG A 62 7.856 -11.144 -5.223 1.00 0.63 C ATOM 675 CG ARG A 62 7.031 -10.622 -6.387 1.00 1.40 C ATOM 676 CD ARG A 62 7.884 -9.877 -7.397 1.00 1.46 C ATOM 677 NE ARG A 62 7.095 -9.468 -8.555 1.00 2.25 N ATOM 678 CZ ARG A 62 7.531 -8.664 -9.519 1.00 2.60 C ATOM 679 NH1 ARG A 62 8.756 -8.155 -9.471 1.00 2.13 N ATOM 680 NH2 ARG A 62 6.733 -8.368 -10.534 1.00 3.67 N ATOM 0 H ARG A 62 8.855 -12.149 -3.189 1.00 0.54 H new ATOM 0 HA ARG A 62 6.309 -11.166 -3.739 1.00 0.53 H new ATOM 0 HB2 ARG A 62 8.376 -10.310 -4.752 1.00 0.63 H new ATOM 0 HB3 ARG A 62 8.620 -11.822 -5.603 1.00 0.63 H new ATOM 0 HG2 ARG A 62 6.530 -11.456 -6.880 1.00 1.40 H new ATOM 0 HG3 ARG A 62 6.252 -9.959 -6.011 1.00 1.40 H new ATOM 0 HD2 ARG A 62 8.326 -8.999 -6.926 1.00 1.46 H new ATOM 0 HD3 ARG A 62 8.708 -10.513 -7.721 1.00 1.46 H new ATOM 0 HE ARG A 62 6.142 -9.824 -8.629 1.00 2.25 H new ATOM 0 HH11 ARG A 62 9.372 -8.380 -8.689 1.00 2.13 H new ATOM 0 HH12 ARG A 62 9.082 -7.539 -10.216 1.00 2.13 H new ATOM 0 HH21 ARG A 62 5.791 -8.757 -10.572 1.00 3.67 H new ATOM 0 HH22 ARG A 62 7.061 -7.752 -11.278 1.00 3.67 H new ATOM 694 N GLU A 63 6.885 -14.132 -5.062 1.00 0.58 N ATOM 695 CA GLU A 63 6.233 -15.272 -5.704 1.00 0.64 C ATOM 696 C GLU A 63 5.113 -15.857 -4.838 1.00 0.63 C ATOM 697 O GLU A 63 4.337 -16.697 -5.296 1.00 0.75 O ATOM 698 CB GLU A 63 7.261 -16.355 -6.029 1.00 0.74 C ATOM 699 CG GLU A 63 8.291 -15.921 -7.056 1.00 1.70 C ATOM 700 CD GLU A 63 9.278 -17.019 -7.386 1.00 2.53 C ATOM 701 OE1 GLU A 63 10.322 -17.108 -6.708 1.00 3.20 O ATOM 702 OE2 GLU A 63 9.010 -17.801 -8.322 1.00 3.12 O ATOM 0 H GLU A 63 7.866 -14.283 -4.828 1.00 0.58 H new ATOM 0 HA GLU A 63 5.781 -14.910 -6.627 1.00 0.64 H new ATOM 0 HB2 GLU A 63 7.774 -16.646 -5.112 1.00 0.74 H new ATOM 0 HB3 GLU A 63 6.742 -17.239 -6.398 1.00 0.74 H new ATOM 0 HG2 GLU A 63 7.781 -15.609 -7.968 1.00 1.70 H new ATOM 0 HG3 GLU A 63 8.831 -15.052 -6.679 1.00 1.70 H new ATOM 709 N ALA A 64 5.024 -15.404 -3.595 1.00 0.55 N ATOM 710 CA ALA A 64 4.004 -15.889 -2.679 1.00 0.60 C ATOM 711 C ALA A 64 2.788 -14.965 -2.659 1.00 0.54 C ATOM 712 O ALA A 64 1.772 -15.283 -2.040 1.00 0.57 O ATOM 713 CB ALA A 64 4.578 -16.030 -1.278 1.00 0.67 C ATOM 0 H ALA A 64 5.647 -14.701 -3.199 1.00 0.55 H new ATOM 0 HA ALA A 64 3.677 -16.867 -3.031 1.00 0.60 H new ATOM 0 HB1 ALA A 64 3.804 -16.394 -0.603 1.00 0.67 H new ATOM 0 HB2 ALA A 64 5.407 -16.737 -1.294 1.00 0.67 H new ATOM 0 HB3 ALA A 64 4.935 -15.060 -0.932 1.00 0.67 H new ATOM 719 N VAL A 65 2.886 -13.830 -3.350 1.00 0.51 N ATOM 720 CA VAL A 65 1.814 -12.836 -3.334 1.00 0.47 C ATOM 721 C VAL A 65 0.534 -13.398 -3.953 1.00 0.53 C ATOM 722 O VAL A 65 -0.565 -13.125 -3.474 1.00 0.54 O ATOM 723 CB VAL A 65 2.223 -11.522 -4.055 1.00 0.47 C ATOM 724 CG1 VAL A 65 2.409 -11.724 -5.548 1.00 0.51 C ATOM 725 CG2 VAL A 65 1.203 -10.430 -3.804 1.00 0.50 C ATOM 0 H VAL A 65 3.690 -13.577 -3.924 1.00 0.51 H new ATOM 0 HA VAL A 65 1.625 -12.596 -2.288 1.00 0.47 H new ATOM 0 HB VAL A 65 3.183 -11.218 -3.638 1.00 0.47 H new ATOM 0 HG11 VAL A 65 2.694 -10.779 -6.010 1.00 0.51 H new ATOM 0 HG12 VAL A 65 3.191 -12.463 -5.720 1.00 0.51 H new ATOM 0 HG13 VAL A 65 1.475 -12.075 -5.987 1.00 0.51 H new ATOM 0 HG21 VAL A 65 1.511 -9.520 -4.319 1.00 0.50 H new ATOM 0 HG22 VAL A 65 0.230 -10.748 -4.179 1.00 0.50 H new ATOM 0 HG23 VAL A 65 1.134 -10.236 -2.734 1.00 0.50 H new ATOM 729 N SER A 66 0.686 -14.207 -4.994 1.00 0.63 N ATOM 730 CA SER A 66 -0.447 -14.812 -5.675 1.00 0.75 C ATOM 731 C SER A 66 -1.231 -15.719 -4.729 1.00 0.76 C ATOM 732 O SER A 66 -2.464 -15.700 -4.711 1.00 0.84 O ATOM 733 CB SER A 66 0.051 -15.595 -6.889 1.00 0.89 C ATOM 734 OG SER A 66 1.206 -16.351 -6.562 1.00 1.63 O ATOM 0 H SER A 66 1.593 -14.460 -5.386 1.00 0.63 H new ATOM 0 HA SER A 66 -1.122 -14.025 -6.010 1.00 0.75 H new ATOM 0 HB2 SER A 66 -0.735 -16.260 -7.246 1.00 0.89 H new ATOM 0 HB3 SER A 66 0.280 -14.907 -7.703 1.00 0.89 H new ATOM 0 HG SER A 66 1.508 -16.846 -7.352 1.00 1.63 H new ATOM 740 N GLY A 67 -0.504 -16.498 -3.935 1.00 0.73 N ATOM 741 CA GLY A 67 -1.133 -17.364 -2.963 1.00 0.75 C ATOM 742 C GLY A 67 -1.874 -16.581 -1.902 1.00 0.70 C ATOM 743 O GLY A 67 -3.032 -16.870 -1.604 1.00 0.76 O ATOM 0 H GLY A 67 0.515 -16.543 -3.950 1.00 0.73 H new ATOM 0 HA2 GLY A 67 -1.827 -18.034 -3.470 1.00 0.75 H new ATOM 0 HA3 GLY A 67 -0.375 -17.988 -2.490 1.00 0.75 H new ATOM 747 N ILE A 68 -1.209 -15.573 -1.348 1.00 0.63 N ATOM 748 CA ILE A 68 -1.812 -14.721 -0.331 1.00 0.59 C ATOM 749 C ILE A 68 -3.067 -14.044 -0.872 1.00 0.63 C ATOM 750 O ILE A 68 -4.118 -14.056 -0.231 1.00 0.71 O ATOM 751 CB ILE A 68 -0.823 -13.642 0.163 1.00 0.51 C ATOM 752 CG1 ILE A 68 0.420 -14.299 0.767 1.00 0.50 C ATOM 753 CG2 ILE A 68 -1.492 -12.726 1.182 1.00 0.50 C ATOM 754 CD1 ILE A 68 1.477 -13.311 1.213 1.00 0.45 C ATOM 0 H ILE A 68 -0.249 -15.326 -1.588 1.00 0.63 H new ATOM 0 HA ILE A 68 -2.077 -15.361 0.510 1.00 0.59 H new ATOM 0 HB ILE A 68 -0.517 -13.037 -0.690 1.00 0.51 H new ATOM 0 HG12 ILE A 68 0.120 -14.906 1.621 1.00 0.50 H new ATOM 0 HG13 ILE A 68 0.855 -14.976 0.032 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -0.779 -11.973 1.518 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -2.349 -12.234 0.722 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -1.827 -13.315 2.036 1.00 0.50 H new ATOM 0 HD11 ILE A 68 2.327 -13.851 1.630 1.00 0.45 H new ATOM 0 HD12 ILE A 68 1.806 -12.720 0.358 1.00 0.45 H new ATOM 0 HD13 ILE A 68 1.060 -12.650 1.972 1.00 0.45 H new ATOM 761 N LEU A 69 -2.956 -13.479 -2.066 1.00 0.62 N ATOM 762 CA LEU A 69 -4.067 -12.772 -2.687 1.00 0.67 C ATOM 763 C LEU A 69 -5.226 -13.710 -3.001 1.00 0.85 C ATOM 764 O LEU A 69 -6.391 -13.319 -2.912 1.00 1.14 O ATOM 765 CB LEU A 69 -3.601 -12.056 -3.954 1.00 0.62 C ATOM 766 CG LEU A 69 -2.653 -10.877 -3.712 1.00 0.47 C ATOM 767 CD1 LEU A 69 -2.295 -10.187 -5.019 1.00 0.50 C ATOM 768 CD2 LEU A 69 -3.276 -9.887 -2.743 1.00 0.45 C ATOM 0 H LEU A 69 -2.104 -13.497 -2.626 1.00 0.62 H new ATOM 0 HA LEU A 69 -4.427 -12.031 -1.974 1.00 0.67 H new ATOM 0 HB2 LEU A 69 -3.103 -12.778 -4.601 1.00 0.62 H new ATOM 0 HB3 LEU A 69 -4.477 -11.696 -4.494 1.00 0.62 H new ATOM 0 HG LEU A 69 -1.734 -11.266 -3.273 1.00 0.47 H new ATOM 0 HD11 LEU A 69 -1.621 -9.354 -4.818 1.00 0.50 H new ATOM 0 HD12 LEU A 69 -1.805 -10.898 -5.684 1.00 0.50 H new ATOM 0 HD13 LEU A 69 -3.202 -9.813 -5.494 1.00 0.50 H new ATOM 0 HD21 LEU A 69 -2.590 -9.055 -2.581 1.00 0.45 H new ATOM 0 HD22 LEU A 69 -4.211 -9.511 -3.158 1.00 0.45 H new ATOM 0 HD23 LEU A 69 -3.474 -10.383 -1.793 1.00 0.45 H new ATOM 780 N GLY A 70 -4.907 -14.947 -3.354 1.00 0.81 N ATOM 781 CA GLY A 70 -5.938 -15.928 -3.626 1.00 0.94 C ATOM 782 C GLY A 70 -6.701 -16.325 -2.375 1.00 0.99 C ATOM 783 O GLY A 70 -7.879 -16.681 -2.441 1.00 1.25 O ATOM 0 H GLY A 70 -3.952 -15.289 -3.457 1.00 0.81 H new ATOM 0 HA2 GLY A 70 -6.635 -15.525 -4.361 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -5.485 -16.815 -4.069 1.00 0.94 H new ATOM 787 N LYS A 71 -6.025 -16.263 -1.235 1.00 0.87 N ATOM 788 CA LYS A 71 -6.644 -16.589 0.045 1.00 0.98 C ATOM 789 C LYS A 71 -7.381 -15.381 0.612 1.00 0.99 C ATOM 790 O LYS A 71 -8.449 -15.513 1.208 1.00 1.26 O ATOM 791 CB LYS A 71 -5.580 -17.046 1.047 1.00 1.11 C ATOM 792 CG LYS A 71 -4.775 -18.253 0.597 1.00 1.69 C ATOM 793 CD LYS A 71 -5.630 -19.505 0.507 1.00 2.11 C ATOM 794 CE LYS A 71 -4.786 -20.728 0.184 1.00 2.60 C ATOM 795 NZ LYS A 71 -3.695 -20.924 1.176 1.00 3.16 N ATOM 0 H LYS A 71 -5.045 -15.989 -1.170 1.00 0.87 H new ATOM 0 HA LYS A 71 -7.358 -17.395 -0.122 1.00 0.98 H new ATOM 0 HB2 LYS A 71 -4.897 -16.218 1.236 1.00 1.11 H new ATOM 0 HB3 LYS A 71 -6.066 -17.281 1.994 1.00 1.11 H new ATOM 0 HG2 LYS A 71 -4.328 -18.048 -0.376 1.00 1.69 H new ATOM 0 HG3 LYS A 71 -3.955 -18.423 1.295 1.00 1.69 H new ATOM 0 HD2 LYS A 71 -6.152 -19.660 1.451 1.00 2.11 H new ATOM 0 HD3 LYS A 71 -6.392 -19.373 -0.261 1.00 2.11 H new ATOM 0 HE2 LYS A 71 -5.422 -21.613 0.163 1.00 2.60 H new ATOM 0 HE3 LYS A 71 -4.357 -20.621 -0.812 1.00 2.60 H new ATOM 0 HZ1 LYS A 71 -3.352 -21.905 1.126 1.00 3.16 H new ATOM 0 HZ2 LYS A 71 -2.912 -20.272 0.965 1.00 3.16 H new ATOM 0 HZ3 LYS A 71 -4.057 -20.732 2.132 1.00 3.16 H new ATOM 809 N SER A 72 -6.795 -14.208 0.415 1.00 0.92 N ATOM 810 CA SER A 72 -7.319 -12.967 0.973 1.00 1.08 C ATOM 811 C SER A 72 -8.714 -12.644 0.444 1.00 1.04 C ATOM 812 O SER A 72 -9.092 -13.056 -0.658 1.00 1.21 O ATOM 813 CB SER A 72 -6.372 -11.815 0.636 1.00 1.30 C ATOM 814 OG SER A 72 -6.322 -11.588 -0.765 1.00 2.02 O ATOM 0 H SER A 72 -5.944 -14.089 -0.135 1.00 0.92 H new ATOM 0 HA SER A 72 -7.393 -13.097 2.053 1.00 1.08 H new ATOM 0 HB2 SER A 72 -6.702 -10.908 1.143 1.00 1.30 H new ATOM 0 HB3 SER A 72 -5.372 -12.041 1.007 1.00 1.30 H new ATOM 0 HG SER A 72 -6.481 -12.431 -1.239 1.00 2.02 H new ATOM 820 N GLU A 73 -9.457 -11.870 1.227 1.00 1.13 N ATOM 821 CA GLU A 73 -10.785 -11.398 0.836 1.00 1.31 C ATOM 822 C GLU A 73 -10.669 -10.232 -0.142 1.00 1.26 C ATOM 823 O GLU A 73 -11.612 -9.463 -0.324 1.00 1.87 O ATOM 824 CB GLU A 73 -11.566 -10.946 2.072 1.00 1.67 C ATOM 825 CG GLU A 73 -11.772 -12.031 3.116 1.00 1.87 C ATOM 826 CD GLU A 73 -12.876 -13.000 2.761 1.00 2.12 C ATOM 827 OE1 GLU A 73 -14.060 -12.654 2.963 1.00 2.64 O ATOM 828 OE2 GLU A 73 -12.570 -14.115 2.301 1.00 2.46 O ATOM 0 H GLU A 73 -9.159 -11.551 2.149 1.00 1.13 H new ATOM 0 HA GLU A 73 -11.313 -12.219 0.352 1.00 1.31 H new ATOM 0 HB2 GLU A 73 -11.040 -10.110 2.533 1.00 1.67 H new ATOM 0 HB3 GLU A 73 -12.540 -10.574 1.755 1.00 1.67 H new ATOM 0 HG2 GLU A 73 -10.841 -12.583 3.245 1.00 1.87 H new ATOM 0 HG3 GLU A 73 -12.001 -11.565 4.074 1.00 1.87 H new ATOM 835 N PHE A 74 -9.500 -10.087 -0.745 1.00 1.04 N ATOM 836 CA PHE A 74 -9.273 -9.045 -1.728 1.00 1.02 C ATOM 837 C PHE A 74 -9.135 -9.656 -3.114 1.00 1.08 C ATOM 838 O PHE A 74 -9.151 -8.950 -4.119 1.00 1.45 O ATOM 839 CB PHE A 74 -8.037 -8.231 -1.357 1.00 0.94 C ATOM 840 CG PHE A 74 -8.154 -7.592 -0.003 1.00 0.96 C ATOM 841 CD1 PHE A 74 -8.988 -6.504 0.191 1.00 1.61 C ATOM 842 CD2 PHE A 74 -7.442 -8.087 1.077 1.00 1.18 C ATOM 843 CE1 PHE A 74 -9.110 -5.921 1.436 1.00 1.70 C ATOM 844 CE2 PHE A 74 -7.559 -7.507 2.326 1.00 1.25 C ATOM 845 CZ PHE A 74 -8.394 -6.424 2.505 1.00 1.19 C ATOM 0 H PHE A 74 -8.691 -10.682 -0.568 1.00 1.04 H new ATOM 0 HA PHE A 74 -10.129 -8.370 -1.739 1.00 1.02 H new ATOM 0 HB2 PHE A 74 -7.161 -8.879 -1.375 1.00 0.94 H new ATOM 0 HB3 PHE A 74 -7.877 -7.457 -2.108 1.00 0.94 H new ATOM 0 HD1 PHE A 74 -9.550 -6.107 -0.642 1.00 1.61 H new ATOM 0 HD2 PHE A 74 -6.788 -8.936 0.942 1.00 1.18 H new ATOM 0 HE1 PHE A 74 -9.764 -5.073 1.574 1.00 1.70 H new ATOM 0 HE2 PHE A 74 -6.998 -7.901 3.160 1.00 1.25 H new ATOM 0 HZ PHE A 74 -8.488 -5.970 3.480 1.00 1.19 H new ATOM 901 N HIS A 78 -6.089 -5.276 -7.737 1.00 0.88 N ATOM 902 CA HIS A 78 -5.081 -4.236 -7.586 1.00 0.85 C ATOM 903 C HIS A 78 -5.514 -3.257 -6.507 1.00 0.69 C ATOM 904 O HIS A 78 -6.671 -2.836 -6.460 1.00 0.68 O ATOM 905 CB HIS A 78 -4.866 -3.482 -8.902 1.00 1.02 C ATOM 906 CG HIS A 78 -4.486 -4.351 -10.061 1.00 1.16 C ATOM 907 ND1 HIS A 78 -5.290 -4.517 -11.165 1.00 1.50 N ATOM 908 CD2 HIS A 78 -3.377 -5.094 -10.291 1.00 1.41 C ATOM 909 CE1 HIS A 78 -4.697 -5.325 -12.024 1.00 1.96 C ATOM 910 NE2 HIS A 78 -3.534 -5.690 -11.518 1.00 1.85 N ATOM 0 HA HIS A 78 -4.141 -4.710 -7.302 1.00 0.85 H new ATOM 0 HB2 HIS A 78 -5.781 -2.945 -9.152 1.00 1.02 H new ATOM 0 HB3 HIS A 78 -4.087 -2.734 -8.754 1.00 1.02 H new ATOM 0 HD2 HIS A 78 -2.528 -5.198 -9.632 1.00 1.41 H new ATOM 0 HE1 HIS A 78 -5.096 -5.635 -12.979 1.00 1.96 H new ATOM 0 HE2 HIS A 78 -2.862 -6.313 -11.965 1.00 1.85 H new ATOM 919 N LEU A 79 -4.562 -2.906 -5.642 1.00 0.60 N ATOM 920 CA LEU A 79 -4.809 -2.013 -4.513 1.00 0.46 C ATOM 921 C LEU A 79 -5.458 -0.708 -4.965 1.00 0.44 C ATOM 922 O LEU A 79 -6.256 -0.119 -4.242 1.00 0.42 O ATOM 923 CB LEU A 79 -3.491 -1.712 -3.792 1.00 0.44 C ATOM 924 CG LEU A 79 -3.608 -0.859 -2.528 1.00 0.37 C ATOM 925 CD1 LEU A 79 -4.339 -1.622 -1.435 1.00 0.37 C ATOM 926 CD2 LEU A 79 -2.233 -0.427 -2.048 1.00 0.41 C ATOM 0 H LEU A 79 -3.598 -3.234 -5.706 1.00 0.60 H new ATOM 0 HA LEU A 79 -5.497 -2.514 -3.832 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -3.018 -2.658 -3.528 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -2.824 -1.206 -4.490 1.00 0.44 H new ATOM 0 HG LEU A 79 -4.185 0.034 -2.768 1.00 0.37 H new ATOM 0 HD11 LEU A 79 -4.413 -0.999 -0.543 1.00 0.37 H new ATOM 0 HD12 LEU A 79 -5.340 -1.882 -1.780 1.00 0.37 H new ATOM 0 HD13 LEU A 79 -3.789 -2.533 -1.197 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -2.336 0.179 -1.148 1.00 0.41 H new ATOM 0 HD22 LEU A 79 -1.632 -1.309 -1.825 1.00 0.41 H new ATOM 0 HD23 LEU A 79 -1.744 0.159 -2.826 1.00 0.41 H new ATOM 938 N ALA A 80 -5.119 -0.270 -6.167 1.00 0.50 N ATOM 939 CA ALA A 80 -5.655 0.968 -6.706 1.00 0.54 C ATOM 940 C ALA A 80 -7.136 0.831 -7.044 1.00 0.58 C ATOM 941 O ALA A 80 -7.931 1.714 -6.731 1.00 0.61 O ATOM 942 CB ALA A 80 -4.862 1.389 -7.926 1.00 0.63 C ATOM 0 H ALA A 80 -4.473 -0.756 -6.789 1.00 0.50 H new ATOM 0 HA ALA A 80 -5.564 1.741 -5.943 1.00 0.54 H new ATOM 0 HB1 ALA A 80 -5.271 2.318 -8.323 1.00 0.63 H new ATOM 0 HB2 ALA A 80 -3.819 1.542 -7.647 1.00 0.63 H new ATOM 0 HB3 ALA A 80 -4.924 0.611 -8.687 1.00 0.63 H new ATOM 948 N ASP A 81 -7.502 -0.284 -7.670 1.00 0.64 N ATOM 949 CA ASP A 81 -8.899 -0.555 -8.010 1.00 0.70 C ATOM 950 C ASP A 81 -9.731 -0.657 -6.741 1.00 0.60 C ATOM 951 O ASP A 81 -10.880 -0.207 -6.690 1.00 0.67 O ATOM 952 CB ASP A 81 -9.023 -1.854 -8.814 1.00 0.78 C ATOM 953 CG ASP A 81 -8.370 -1.766 -10.176 1.00 1.52 C ATOM 954 OD1 ASP A 81 -7.132 -1.883 -10.254 1.00 2.30 O ATOM 955 OD2 ASP A 81 -9.088 -1.577 -11.181 1.00 2.06 O ATOM 0 H ASP A 81 -6.851 -1.016 -7.953 1.00 0.64 H new ATOM 0 HA ASP A 81 -9.268 0.268 -8.622 1.00 0.70 H new ATOM 0 HB2 ASP A 81 -8.569 -2.669 -8.251 1.00 0.78 H new ATOM 0 HB3 ASP A 81 -10.078 -2.100 -8.937 1.00 0.78 H new ATOM 960 N ILE A 82 -9.135 -1.251 -5.718 1.00 0.50 N ATOM 961 CA ILE A 82 -9.757 -1.352 -4.407 1.00 0.45 C ATOM 962 C ILE A 82 -10.014 0.035 -3.821 1.00 0.48 C ATOM 963 O ILE A 82 -11.137 0.358 -3.437 1.00 0.61 O ATOM 964 CB ILE A 82 -8.871 -2.171 -3.443 1.00 0.41 C ATOM 965 CG1 ILE A 82 -8.873 -3.645 -3.858 1.00 0.51 C ATOM 966 CG2 ILE A 82 -9.336 -2.013 -2.004 1.00 0.46 C ATOM 967 CD1 ILE A 82 -7.935 -4.506 -3.044 1.00 0.61 C ATOM 0 H ILE A 82 -8.209 -1.675 -5.773 1.00 0.50 H new ATOM 0 HA ILE A 82 -10.711 -1.864 -4.529 1.00 0.45 H new ATOM 0 HB ILE A 82 -7.851 -1.791 -3.502 1.00 0.41 H new ATOM 0 HG12 ILE A 82 -9.885 -4.038 -3.765 1.00 0.51 H new ATOM 0 HG13 ILE A 82 -8.598 -3.718 -4.910 1.00 0.51 H new ATOM 0 HG21 ILE A 82 -8.694 -2.601 -1.348 1.00 0.46 H new ATOM 0 HG22 ILE A 82 -9.283 -0.963 -1.718 1.00 0.46 H new ATOM 0 HG23 ILE A 82 -10.364 -2.363 -1.914 1.00 0.46 H new ATOM 0 HD11 ILE A 82 -7.990 -5.537 -3.395 1.00 0.61 H new ATOM 0 HD12 ILE A 82 -6.915 -4.139 -3.156 1.00 0.61 H new ATOM 0 HD13 ILE A 82 -8.222 -4.464 -1.993 1.00 0.61 H new ATOM 974 N LEU A 83 -8.971 0.855 -3.782 1.00 0.44 N ATOM 975 CA LEU A 83 -9.072 2.212 -3.253 1.00 0.52 C ATOM 976 C LEU A 83 -10.038 3.057 -4.076 1.00 0.69 C ATOM 977 O LEU A 83 -10.767 3.886 -3.535 1.00 0.83 O ATOM 978 CB LEU A 83 -7.690 2.868 -3.218 1.00 0.47 C ATOM 979 CG LEU A 83 -6.891 2.667 -1.924 1.00 0.39 C ATOM 980 CD1 LEU A 83 -6.847 1.202 -1.521 1.00 0.32 C ATOM 981 CD2 LEU A 83 -5.482 3.207 -2.095 1.00 0.42 C ATOM 0 H LEU A 83 -8.039 0.603 -4.112 1.00 0.44 H new ATOM 0 HA LEU A 83 -9.463 2.150 -2.238 1.00 0.52 H new ATOM 0 HB2 LEU A 83 -7.103 2.480 -4.050 1.00 0.47 H new ATOM 0 HB3 LEU A 83 -7.812 3.938 -3.386 1.00 0.47 H new ATOM 0 HG LEU A 83 -7.393 3.217 -1.128 1.00 0.39 H new ATOM 0 HD11 LEU A 83 -6.273 1.095 -0.600 1.00 0.32 H new ATOM 0 HD12 LEU A 83 -7.862 0.838 -1.360 1.00 0.32 H new ATOM 0 HD13 LEU A 83 -6.374 0.621 -2.313 1.00 0.32 H new ATOM 0 HD21 LEU A 83 -4.922 3.060 -1.172 1.00 0.42 H new ATOM 0 HD22 LEU A 83 -4.986 2.678 -2.909 1.00 0.42 H new ATOM 0 HD23 LEU A 83 -5.526 4.271 -2.328 1.00 0.42 H new ATOM 993 N ASN A 84 -10.047 2.831 -5.383 1.00 0.74 N ATOM 994 CA ASN A 84 -10.972 3.515 -6.282 1.00 0.94 C ATOM 995 C ASN A 84 -12.414 3.211 -5.877 1.00 0.97 C ATOM 996 O ASN A 84 -13.285 4.080 -5.912 1.00 1.15 O ATOM 997 CB ASN A 84 -10.720 3.068 -7.730 1.00 1.04 C ATOM 998 CG ASN A 84 -11.444 3.914 -8.764 1.00 1.27 C ATOM 999 OD1 ASN A 84 -12.496 4.491 -8.503 1.00 1.83 O ATOM 1000 ND2 ASN A 84 -10.880 3.995 -9.958 1.00 1.79 N ATOM 0 H ASN A 84 -9.420 2.175 -5.848 1.00 0.74 H new ATOM 0 HA ASN A 84 -10.808 4.590 -6.213 1.00 0.94 H new ATOM 0 HB2 ASN A 84 -9.649 3.102 -7.931 1.00 1.04 H new ATOM 0 HB3 ASN A 84 -11.032 2.029 -7.840 1.00 1.04 H new ATOM 0 HD21 ASN A 84 -11.320 4.549 -10.693 1.00 1.79 H new ATOM 0 HD22 ASN A 84 -10.006 3.504 -10.143 1.00 1.79 H new ATOM 1007 N SER A 85 -12.649 1.975 -5.463 1.00 0.87 N ATOM 1008 CA SER A 85 -13.977 1.539 -5.062 1.00 0.93 C ATOM 1009 C SER A 85 -14.312 2.017 -3.648 1.00 0.91 C ATOM 1010 O SER A 85 -15.482 2.102 -3.272 1.00 1.01 O ATOM 1011 CB SER A 85 -14.061 0.013 -5.135 1.00 0.98 C ATOM 1012 OG SER A 85 -13.686 -0.463 -6.421 1.00 1.50 O ATOM 0 H SER A 85 -11.932 1.253 -5.396 1.00 0.87 H new ATOM 0 HA SER A 85 -14.704 1.977 -5.746 1.00 0.93 H new ATOM 0 HB2 SER A 85 -13.411 -0.426 -4.378 1.00 0.98 H new ATOM 0 HB3 SER A 85 -15.077 -0.309 -4.908 1.00 0.98 H new ATOM 0 HG SER A 85 -12.716 -0.379 -6.531 1.00 1.50 H new ATOM 1018 N ALA A 86 -13.284 2.346 -2.877 1.00 0.88 N ATOM 1019 CA ALA A 86 -13.463 2.751 -1.490 1.00 0.95 C ATOM 1020 C ALA A 86 -13.199 4.242 -1.307 1.00 1.14 C ATOM 1021 O ALA A 86 -12.406 4.645 -0.455 1.00 1.71 O ATOM 1022 CB ALA A 86 -12.550 1.936 -0.586 1.00 1.09 C ATOM 0 H ALA A 86 -12.314 2.340 -3.191 1.00 0.88 H new ATOM 0 HA ALA A 86 -14.500 2.561 -1.214 1.00 0.95 H new ATOM 0 HB1 ALA A 86 -12.691 2.247 0.449 1.00 1.09 H new ATOM 0 HB2 ALA A 86 -12.792 0.878 -0.684 1.00 1.09 H new ATOM 0 HB3 ALA A 86 -11.512 2.099 -0.875 1.00 1.09 H new ATOM 1162 N ALA B 17 -8.332 7.047 -7.426 1.00 0.94 N ATOM 1163 CA ALA B 17 -7.152 6.602 -6.692 1.00 0.81 C ATOM 1164 C ALA B 17 -5.875 6.966 -7.441 1.00 0.69 C ATOM 1165 O ALA B 17 -5.275 6.126 -8.118 1.00 0.71 O ATOM 1166 CB ALA B 17 -7.217 5.103 -6.421 1.00 1.09 C ATOM 0 HA ALA B 17 -7.136 7.118 -5.732 1.00 0.81 H new ATOM 0 HB1 ALA B 17 -6.327 4.793 -5.873 1.00 1.09 H new ATOM 0 HB2 ALA B 17 -8.104 4.878 -5.829 1.00 1.09 H new ATOM 0 HB3 ALA B 17 -7.266 4.564 -7.367 1.00 1.09 H new ATOM 1172 N SER B 18 -5.464 8.219 -7.319 1.00 0.64 N ATOM 1173 CA SER B 18 -4.277 8.696 -8.003 1.00 0.61 C ATOM 1174 C SER B 18 -3.022 8.145 -7.328 1.00 0.50 C ATOM 1175 O SER B 18 -3.072 7.732 -6.166 1.00 0.45 O ATOM 1176 CB SER B 18 -4.253 10.229 -8.027 1.00 0.67 C ATOM 1177 OG SER B 18 -3.198 10.719 -8.841 1.00 1.33 O ATOM 0 H SER B 18 -5.937 8.923 -6.752 1.00 0.64 H new ATOM 0 HA SER B 18 -4.299 8.340 -9.033 1.00 0.61 H new ATOM 0 HB2 SER B 18 -5.206 10.603 -8.400 1.00 0.67 H new ATOM 0 HB3 SER B 18 -4.137 10.608 -7.012 1.00 0.67 H new ATOM 0 HG SER B 18 -3.210 11.699 -8.837 1.00 1.33 H new ATOM 1183 N LYS B 19 -1.912 8.134 -8.055 1.00 0.50 N ATOM 1184 CA LYS B 19 -0.679 7.515 -7.576 1.00 0.43 C ATOM 1185 C LYS B 19 -0.278 8.067 -6.210 1.00 0.35 C ATOM 1186 O LYS B 19 -0.052 7.307 -5.263 1.00 0.28 O ATOM 1187 CB LYS B 19 0.455 7.739 -8.580 1.00 0.54 C ATOM 1188 CG LYS B 19 0.102 7.330 -10.001 1.00 0.85 C ATOM 1189 CD LYS B 19 1.307 7.418 -10.921 1.00 1.13 C ATOM 1190 CE LYS B 19 0.928 7.142 -12.368 1.00 1.74 C ATOM 1191 NZ LYS B 19 0.279 5.814 -12.538 1.00 2.10 N ATOM 0 H LYS B 19 -1.839 8.549 -8.984 1.00 0.50 H new ATOM 0 HA LYS B 19 -0.862 6.445 -7.474 1.00 0.43 H new ATOM 0 HB2 LYS B 19 0.732 8.793 -8.573 1.00 0.54 H new ATOM 0 HB3 LYS B 19 1.331 7.177 -8.257 1.00 0.54 H new ATOM 0 HG2 LYS B 19 -0.284 6.311 -10.002 1.00 0.85 H new ATOM 0 HG3 LYS B 19 -0.693 7.973 -10.379 1.00 0.85 H new ATOM 0 HD2 LYS B 19 1.753 8.410 -10.844 1.00 1.13 H new ATOM 0 HD3 LYS B 19 2.064 6.702 -10.600 1.00 1.13 H new ATOM 0 HE2 LYS B 19 0.252 7.922 -12.719 1.00 1.74 H new ATOM 0 HE3 LYS B 19 1.821 7.190 -12.991 1.00 1.74 H new ATOM 0 HZ1 LYS B 19 0.177 5.604 -13.552 1.00 2.10 H new ATOM 0 HZ2 LYS B 19 0.865 5.081 -12.090 1.00 2.10 H new ATOM 0 HZ3 LYS B 19 -0.660 5.827 -12.091 1.00 2.10 H new ATOM 1205 N GLU B 20 -0.223 9.392 -6.114 1.00 0.41 N ATOM 1206 CA GLU B 20 0.176 10.068 -4.884 1.00 0.42 C ATOM 1207 C GLU B 20 -0.752 9.713 -3.723 1.00 0.34 C ATOM 1208 O GLU B 20 -0.296 9.526 -2.597 1.00 0.30 O ATOM 1209 CB GLU B 20 0.203 11.585 -5.100 1.00 0.57 C ATOM 1210 CG GLU B 20 -1.117 12.157 -5.590 1.00 0.64 C ATOM 1211 CD GLU B 20 -1.021 13.625 -5.940 1.00 0.95 C ATOM 1212 OE1 GLU B 20 -0.463 13.950 -7.008 1.00 1.58 O ATOM 1213 OE2 GLU B 20 -1.508 14.462 -5.156 1.00 1.49 O ATOM 0 H GLU B 20 -0.452 10.024 -6.881 1.00 0.41 H new ATOM 0 HA GLU B 20 1.178 9.726 -4.624 1.00 0.42 H new ATOM 0 HB2 GLU B 20 0.474 12.072 -4.163 1.00 0.57 H new ATOM 0 HB3 GLU B 20 0.983 11.826 -5.822 1.00 0.57 H new ATOM 0 HG2 GLU B 20 -1.447 11.599 -6.466 1.00 0.64 H new ATOM 0 HG3 GLU B 20 -1.876 12.020 -4.820 1.00 0.64 H new ATOM 1220 N GLU B 21 -2.047 9.601 -4.011 1.00 0.37 N ATOM 1221 CA GLU B 21 -3.039 9.287 -2.989 1.00 0.39 C ATOM 1222 C GLU B 21 -2.786 7.901 -2.409 1.00 0.32 C ATOM 1223 O GLU B 21 -2.781 7.713 -1.192 1.00 0.33 O ATOM 1224 CB GLU B 21 -4.450 9.341 -3.578 1.00 0.50 C ATOM 1225 CG GLU B 21 -4.830 10.691 -4.164 1.00 0.62 C ATOM 1226 CD GLU B 21 -6.263 10.724 -4.665 1.00 0.91 C ATOM 1227 OE1 GLU B 21 -6.555 10.056 -5.680 1.00 1.54 O ATOM 1228 OE2 GLU B 21 -7.099 11.418 -4.043 1.00 1.49 O ATOM 0 H GLU B 21 -2.433 9.724 -4.947 1.00 0.37 H new ATOM 0 HA GLU B 21 -2.953 10.029 -2.195 1.00 0.39 H new ATOM 0 HB2 GLU B 21 -4.536 8.583 -4.356 1.00 0.50 H new ATOM 0 HB3 GLU B 21 -5.167 9.081 -2.799 1.00 0.50 H new ATOM 0 HG2 GLU B 21 -4.695 11.463 -3.407 1.00 0.62 H new ATOM 0 HG3 GLU B 21 -4.155 10.930 -4.986 1.00 0.62 H new ATOM 1235 N ILE B 22 -2.564 6.940 -3.294 1.00 0.30 N ATOM 1236 CA ILE B 22 -2.336 5.561 -2.891 1.00 0.29 C ATOM 1237 C ILE B 22 -1.035 5.430 -2.113 1.00 0.24 C ATOM 1238 O ILE B 22 -1.008 4.851 -1.027 1.00 0.26 O ATOM 1239 CB ILE B 22 -2.293 4.630 -4.116 1.00 0.30 C ATOM 1240 CG1 ILE B 22 -3.584 4.773 -4.922 1.00 0.36 C ATOM 1241 CG2 ILE B 22 -2.085 3.183 -3.684 1.00 0.31 C ATOM 1242 CD1 ILE B 22 -3.562 4.023 -6.230 1.00 0.44 C ATOM 0 H ILE B 22 -2.537 7.092 -4.302 1.00 0.30 H new ATOM 0 HA ILE B 22 -3.166 5.267 -2.249 1.00 0.29 H new ATOM 0 HB ILE B 22 -1.452 4.917 -4.747 1.00 0.30 H new ATOM 0 HG12 ILE B 22 -4.420 4.415 -4.321 1.00 0.36 H new ATOM 0 HG13 ILE B 22 -3.764 5.830 -5.121 1.00 0.36 H new ATOM 0 HG21 ILE B 22 -2.058 2.541 -4.564 1.00 0.31 H new ATOM 0 HG22 ILE B 22 -1.143 3.097 -3.142 1.00 0.31 H new ATOM 0 HG23 ILE B 22 -2.906 2.875 -3.036 1.00 0.31 H new ATOM 0 HD11 ILE B 22 -4.509 4.169 -6.749 1.00 0.44 H new ATOM 0 HD12 ILE B 22 -2.747 4.397 -6.850 1.00 0.44 H new ATOM 0 HD13 ILE B 22 -3.414 2.960 -6.038 1.00 0.44 H new ATOM 1249 N ALA B 23 0.037 5.986 -2.669 1.00 0.20 N ATOM 1250 CA ALA B 23 1.348 5.931 -2.034 1.00 0.19 C ATOM 1251 C ALA B 23 1.306 6.554 -0.646 1.00 0.20 C ATOM 1252 O ALA B 23 1.943 6.062 0.286 1.00 0.20 O ATOM 1253 CB ALA B 23 2.378 6.639 -2.892 1.00 0.20 C ATOM 0 H ALA B 23 0.022 6.481 -3.561 1.00 0.20 H new ATOM 0 HA ALA B 23 1.632 4.884 -1.931 1.00 0.19 H new ATOM 0 HB1 ALA B 23 3.352 6.590 -2.406 1.00 0.20 H new ATOM 0 HB2 ALA B 23 2.434 6.155 -3.867 1.00 0.20 H new ATOM 0 HB3 ALA B 23 2.089 7.682 -3.021 1.00 0.20 H new ATOM 1259 N ALA B 24 0.543 7.632 -0.523 1.00 0.22 N ATOM 1260 CA ALA B 24 0.371 8.314 0.748 1.00 0.25 C ATOM 1261 C ALA B 24 -0.251 7.384 1.785 1.00 0.23 C ATOM 1262 O ALA B 24 0.176 7.347 2.936 1.00 0.25 O ATOM 1263 CB ALA B 24 -0.487 9.551 0.554 1.00 0.31 C ATOM 0 H ALA B 24 0.030 8.054 -1.297 1.00 0.22 H new ATOM 0 HA ALA B 24 1.350 8.617 1.118 1.00 0.25 H new ATOM 0 HB1 ALA B 24 -0.614 10.060 1.510 1.00 0.31 H new ATOM 0 HB2 ALA B 24 -0.001 10.223 -0.153 1.00 0.31 H new ATOM 0 HB3 ALA B 24 -1.463 9.260 0.166 1.00 0.31 H new ATOM 1269 N LEU B 25 -1.247 6.620 1.365 1.00 0.23 N ATOM 1270 CA LEU B 25 -1.910 5.670 2.251 1.00 0.23 C ATOM 1271 C LEU B 25 -0.986 4.504 2.582 1.00 0.22 C ATOM 1272 O LEU B 25 -1.005 3.975 3.695 1.00 0.25 O ATOM 1273 CB LEU B 25 -3.186 5.145 1.599 1.00 0.26 C ATOM 1274 CG LEU B 25 -4.246 6.202 1.304 1.00 0.36 C ATOM 1275 CD1 LEU B 25 -5.370 5.602 0.483 1.00 0.46 C ATOM 1276 CD2 LEU B 25 -4.788 6.791 2.597 1.00 0.43 C ATOM 0 H LEU B 25 -1.616 6.638 0.414 1.00 0.23 H new ATOM 0 HA LEU B 25 -2.164 6.188 3.176 1.00 0.23 H new ATOM 0 HB2 LEU B 25 -2.921 4.649 0.665 1.00 0.26 H new ATOM 0 HB3 LEU B 25 -3.622 4.387 2.250 1.00 0.26 H new ATOM 0 HG LEU B 25 -3.784 7.005 0.729 1.00 0.36 H new ATOM 0 HD11 LEU B 25 -6.120 6.366 0.279 1.00 0.46 H new ATOM 0 HD12 LEU B 25 -4.971 5.225 -0.459 1.00 0.46 H new ATOM 0 HD13 LEU B 25 -5.828 4.783 1.037 1.00 0.46 H new ATOM 0 HD21 LEU B 25 -5.543 7.543 2.366 1.00 0.43 H new ATOM 0 HD22 LEU B 25 -5.236 5.999 3.198 1.00 0.43 H new ATOM 0 HD23 LEU B 25 -3.974 7.253 3.155 1.00 0.43 H new ATOM 1288 N ILE B 26 -0.181 4.112 1.604 1.00 0.20 N ATOM 1289 CA ILE B 26 0.763 3.016 1.772 1.00 0.21 C ATOM 1290 C ILE B 26 1.811 3.353 2.831 1.00 0.20 C ATOM 1291 O ILE B 26 2.030 2.580 3.767 1.00 0.22 O ATOM 1292 CB ILE B 26 1.452 2.666 0.435 1.00 0.22 C ATOM 1293 CG1 ILE B 26 0.417 2.144 -0.567 1.00 0.26 C ATOM 1294 CG2 ILE B 26 2.553 1.638 0.649 1.00 0.24 C ATOM 1295 CD1 ILE B 26 0.979 1.869 -1.945 1.00 0.27 C ATOM 0 H ILE B 26 -0.163 4.541 0.679 1.00 0.20 H new ATOM 0 HA ILE B 26 0.199 2.146 2.108 1.00 0.21 H new ATOM 0 HB ILE B 26 1.908 3.570 0.031 1.00 0.22 H new ATOM 0 HG12 ILE B 26 -0.022 1.227 -0.175 1.00 0.26 H new ATOM 0 HG13 ILE B 26 -0.389 2.872 -0.653 1.00 0.26 H new ATOM 0 HG21 ILE B 26 3.025 1.406 -0.306 1.00 0.24 H new ATOM 0 HG22 ILE B 26 3.299 2.041 1.334 1.00 0.24 H new ATOM 0 HG23 ILE B 26 2.125 0.729 1.072 1.00 0.24 H new ATOM 0 HD11 ILE B 26 0.185 1.503 -2.595 1.00 0.27 H new ATOM 0 HD12 ILE B 26 1.392 2.788 -2.359 1.00 0.27 H new ATOM 0 HD13 ILE B 26 1.765 1.117 -1.874 1.00 0.27 H new ATOM 1302 N VAL B 27 2.441 4.519 2.700 1.00 0.18 N ATOM 1303 CA VAL B 27 3.445 4.944 3.668 1.00 0.20 C ATOM 1304 C VAL B 27 2.797 5.238 5.018 1.00 0.22 C ATOM 1305 O VAL B 27 3.407 5.035 6.069 1.00 0.23 O ATOM 1306 CB VAL B 27 4.249 6.176 3.186 1.00 0.21 C ATOM 1307 CG1 VAL B 27 4.995 5.858 1.899 1.00 0.21 C ATOM 1308 CG2 VAL B 27 3.353 7.390 2.994 1.00 0.21 C ATOM 0 H VAL B 27 2.275 5.179 1.940 1.00 0.18 H new ATOM 0 HA VAL B 27 4.149 4.118 3.775 1.00 0.20 H new ATOM 0 HB VAL B 27 4.975 6.419 3.962 1.00 0.21 H new ATOM 0 HG11 VAL B 27 5.554 6.736 1.576 1.00 0.21 H new ATOM 0 HG12 VAL B 27 5.685 5.032 2.073 1.00 0.21 H new ATOM 0 HG13 VAL B 27 4.281 5.577 1.125 1.00 0.21 H new ATOM 0 HG21 VAL B 27 3.953 8.235 2.655 1.00 0.21 H new ATOM 0 HG22 VAL B 27 2.590 7.165 2.249 1.00 0.21 H new ATOM 0 HG23 VAL B 27 2.873 7.641 3.940 1.00 0.21 H new ATOM 1312 N ASN B 28 1.545 5.692 4.981 1.00 0.25 N ATOM 1313 CA ASN B 28 0.774 5.935 6.196 1.00 0.32 C ATOM 1314 C ASN B 28 0.565 4.636 6.963 1.00 0.27 C ATOM 1315 O ASN B 28 0.700 4.595 8.185 1.00 0.28 O ATOM 1316 CB ASN B 28 -0.580 6.566 5.852 1.00 0.44 C ATOM 1317 CG ASN B 28 -1.482 6.730 7.063 1.00 0.67 C ATOM 1318 OD1 ASN B 28 -2.290 5.855 7.376 1.00 1.58 O ATOM 1319 ND2 ASN B 28 -1.345 7.851 7.754 1.00 0.86 N ATOM 0 H ASN B 28 1.043 5.899 4.118 1.00 0.25 H new ATOM 0 HA ASN B 28 1.334 6.627 6.826 1.00 0.32 H new ATOM 0 HB2 ASN B 28 -0.415 7.541 5.394 1.00 0.44 H new ATOM 0 HB3 ASN B 28 -1.085 5.947 5.110 1.00 0.44 H new ATOM 0 HD21 ASN B 28 -1.921 8.015 8.580 1.00 0.86 H new ATOM 0 HD22 ASN B 28 -0.663 8.551 7.461 1.00 0.86 H new ATOM 1326 N TYR B 29 0.247 3.572 6.238 1.00 0.25 N ATOM 1327 CA TYR B 29 0.053 2.267 6.849 1.00 0.24 C ATOM 1328 C TYR B 29 1.343 1.779 7.499 1.00 0.18 C ATOM 1329 O TYR B 29 1.352 1.416 8.676 1.00 0.19 O ATOM 1330 CB TYR B 29 -0.436 1.253 5.809 1.00 0.28 C ATOM 1331 CG TYR B 29 -0.569 -0.155 6.351 1.00 0.31 C ATOM 1332 CD1 TYR B 29 -1.427 -0.434 7.406 1.00 1.20 C ATOM 1333 CD2 TYR B 29 0.166 -1.202 5.810 1.00 1.23 C ATOM 1334 CE1 TYR B 29 -1.547 -1.715 7.908 1.00 1.22 C ATOM 1335 CE2 TYR B 29 0.050 -2.486 6.305 1.00 1.25 C ATOM 1336 CZ TYR B 29 -0.807 -2.737 7.354 1.00 0.42 C ATOM 1337 OH TYR B 29 -0.924 -4.015 7.856 1.00 0.49 O ATOM 0 H TYR B 29 0.118 3.588 5.226 1.00 0.25 H new ATOM 0 HA TYR B 29 -0.708 2.364 7.624 1.00 0.24 H new ATOM 0 HB2 TYR B 29 -1.402 1.578 5.424 1.00 0.28 H new ATOM 0 HB3 TYR B 29 0.257 1.246 4.967 1.00 0.28 H new ATOM 0 HD1 TYR B 29 -2.010 0.364 7.841 1.00 1.20 H new ATOM 0 HD2 TYR B 29 0.840 -1.009 4.988 1.00 1.23 H new ATOM 0 HE1 TYR B 29 -2.218 -1.915 8.731 1.00 1.22 H new ATOM 0 HE2 TYR B 29 0.628 -3.289 5.872 1.00 1.25 H new ATOM 0 HH TYR B 29 -1.723 -4.073 8.420 1.00 0.49 H new ATOM 1347 N PHE B 30 2.432 1.796 6.739 1.00 0.16 N ATOM 1348 CA PHE B 30 3.716 1.306 7.230 1.00 0.16 C ATOM 1349 C PHE B 30 4.189 2.096 8.446 1.00 0.18 C ATOM 1350 O PHE B 30 4.642 1.514 9.434 1.00 0.21 O ATOM 1351 CB PHE B 30 4.781 1.361 6.133 1.00 0.19 C ATOM 1352 CG PHE B 30 4.564 0.394 5.001 1.00 0.19 C ATOM 1353 CD1 PHE B 30 4.012 -0.860 5.223 1.00 1.20 C ATOM 1354 CD2 PHE B 30 4.922 0.740 3.709 1.00 1.17 C ATOM 1355 CE1 PHE B 30 3.824 -1.743 4.180 1.00 1.22 C ATOM 1356 CE2 PHE B 30 4.738 -0.144 2.663 1.00 1.16 C ATOM 1357 CZ PHE B 30 4.188 -1.385 2.899 1.00 0.25 C ATOM 0 H PHE B 30 2.452 2.144 5.780 1.00 0.16 H new ATOM 0 HA PHE B 30 3.569 0.268 7.529 1.00 0.16 H new ATOM 0 HB2 PHE B 30 4.815 2.372 5.728 1.00 0.19 H new ATOM 0 HB3 PHE B 30 5.755 1.164 6.580 1.00 0.19 H new ATOM 0 HD1 PHE B 30 3.726 -1.148 6.224 1.00 1.20 H new ATOM 0 HD2 PHE B 30 5.350 1.713 3.516 1.00 1.17 H new ATOM 0 HE1 PHE B 30 3.392 -2.715 4.367 1.00 1.22 H new ATOM 0 HE2 PHE B 30 5.025 0.138 1.661 1.00 1.16 H new ATOM 0 HZ PHE B 30 4.042 -2.076 2.082 1.00 0.25 H new ATOM 1367 N SER B 31 4.067 3.416 8.385 1.00 0.21 N ATOM 1368 CA SER B 31 4.502 4.265 9.484 1.00 0.26 C ATOM 1369 C SER B 31 3.649 4.024 10.730 1.00 0.25 C ATOM 1370 O SER B 31 4.105 4.227 11.853 1.00 0.27 O ATOM 1371 CB SER B 31 4.454 5.738 9.073 1.00 0.35 C ATOM 1372 OG SER B 31 3.172 6.091 8.588 1.00 1.15 O ATOM 0 H SER B 31 3.672 3.919 7.590 1.00 0.21 H new ATOM 0 HA SER B 31 5.533 4.008 9.727 1.00 0.26 H new ATOM 0 HB2 SER B 31 4.708 6.365 9.927 1.00 0.35 H new ATOM 0 HB3 SER B 31 5.202 5.929 8.304 1.00 0.35 H new ATOM 0 HG SER B 31 3.087 5.810 7.653 1.00 1.15 H new ATOM 1378 N SER B 32 2.417 3.572 10.526 1.00 0.27 N ATOM 1379 CA SER B 32 1.523 3.259 11.633 1.00 0.30 C ATOM 1380 C SER B 32 1.933 1.951 12.311 1.00 0.28 C ATOM 1381 O SER B 32 1.747 1.780 13.521 1.00 0.36 O ATOM 1382 CB SER B 32 0.080 3.167 11.139 1.00 0.40 C ATOM 1383 OG SER B 32 -0.346 4.400 10.585 1.00 0.99 O ATOM 0 H SER B 32 2.014 3.414 9.602 1.00 0.27 H new ATOM 0 HA SER B 32 1.595 4.062 12.366 1.00 0.30 H new ATOM 0 HB2 SER B 32 -0.002 2.380 10.390 1.00 0.40 H new ATOM 0 HB3 SER B 32 -0.574 2.890 11.966 1.00 0.40 H new ATOM 0 HG SER B 32 -0.022 4.474 9.663 1.00 0.99 H new ATOM 1389 N ILE B 33 2.492 1.033 11.532 1.00 0.24 N ATOM 1390 CA ILE B 33 2.930 -0.252 12.059 1.00 0.27 C ATOM 1391 C ILE B 33 4.131 -0.067 12.977 1.00 0.26 C ATOM 1392 O ILE B 33 4.186 -0.627 14.075 1.00 0.32 O ATOM 1393 CB ILE B 33 3.321 -1.235 10.935 1.00 0.30 C ATOM 1394 CG1 ILE B 33 2.244 -1.284 9.851 1.00 0.30 C ATOM 1395 CG2 ILE B 33 3.545 -2.625 11.511 1.00 0.44 C ATOM 1396 CD1 ILE B 33 2.618 -2.156 8.672 1.00 0.34 C ATOM 0 H ILE B 33 2.653 1.155 10.532 1.00 0.24 H new ATOM 0 HA ILE B 33 2.088 -0.669 12.612 1.00 0.27 H new ATOM 0 HB ILE B 33 4.247 -0.882 10.481 1.00 0.30 H new ATOM 0 HG12 ILE B 33 1.316 -1.654 10.287 1.00 0.30 H new ATOM 0 HG13 ILE B 33 2.048 -0.272 9.497 1.00 0.30 H new ATOM 0 HG21 ILE B 33 3.820 -3.311 10.710 1.00 0.44 H new ATOM 0 HG22 ILE B 33 4.347 -2.588 12.249 1.00 0.44 H new ATOM 0 HG23 ILE B 33 2.629 -2.973 11.988 1.00 0.44 H new ATOM 0 HD11 ILE B 33 1.810 -2.146 7.941 1.00 0.34 H new ATOM 0 HD12 ILE B 33 3.529 -1.774 8.211 1.00 0.34 H new ATOM 0 HD13 ILE B 33 2.785 -3.178 9.014 1.00 0.34 H new ATOM 1403 N VAL B 34 5.086 0.736 12.526 1.00 0.25 N ATOM 1404 CA VAL B 34 6.306 0.976 13.286 1.00 0.31 C ATOM 1405 C VAL B 34 6.076 2.004 14.391 1.00 0.37 C ATOM 1406 O VAL B 34 6.874 2.115 15.318 1.00 0.47 O ATOM 1407 CB VAL B 34 7.464 1.448 12.378 1.00 0.34 C ATOM 1408 CG1 VAL B 34 7.811 0.378 11.358 1.00 0.35 C ATOM 1409 CG2 VAL B 34 7.115 2.754 11.682 1.00 0.33 C ATOM 0 H VAL B 34 5.039 1.233 11.636 1.00 0.25 H new ATOM 0 HA VAL B 34 6.585 0.024 13.737 1.00 0.31 H new ATOM 0 HB VAL B 34 8.336 1.624 13.008 1.00 0.34 H new ATOM 0 HG11 VAL B 34 8.628 0.728 10.727 1.00 0.35 H new ATOM 0 HG12 VAL B 34 8.115 -0.532 11.875 1.00 0.35 H new ATOM 0 HG13 VAL B 34 6.939 0.169 10.739 1.00 0.35 H new ATOM 0 HG21 VAL B 34 7.947 3.063 11.050 1.00 0.33 H new ATOM 0 HG22 VAL B 34 6.226 2.613 11.068 1.00 0.33 H new ATOM 0 HG23 VAL B 34 6.921 3.524 12.429 1.00 0.33 H new ATOM 1413 N GLU B 35 4.975 2.743 14.293 1.00 0.35 N ATOM 1414 CA GLU B 35 4.636 3.745 15.295 1.00 0.46 C ATOM 1415 C GLU B 35 4.308 3.074 16.622 1.00 0.51 C ATOM 1416 O GLU B 35 4.834 3.447 17.668 1.00 0.62 O ATOM 1417 CB GLU B 35 3.445 4.586 14.830 1.00 0.51 C ATOM 1418 CG GLU B 35 3.182 5.805 15.696 1.00 0.70 C ATOM 1419 CD GLU B 35 4.327 6.796 15.668 1.00 1.49 C ATOM 1420 OE1 GLU B 35 4.396 7.604 14.720 1.00 2.19 O ATOM 1421 OE2 GLU B 35 5.170 6.772 16.590 1.00 2.22 O ATOM 0 H GLU B 35 4.303 2.666 13.529 1.00 0.35 H new ATOM 0 HA GLU B 35 5.497 4.400 15.431 1.00 0.46 H new ATOM 0 HB2 GLU B 35 3.620 4.911 13.804 1.00 0.51 H new ATOM 0 HB3 GLU B 35 2.552 3.960 14.818 1.00 0.51 H new ATOM 0 HG2 GLU B 35 2.271 6.298 15.356 1.00 0.70 H new ATOM 0 HG3 GLU B 35 3.008 5.486 16.723 1.00 0.70 H new ATOM 1428 N LYS B 36 3.438 2.073 16.572 1.00 0.47 N ATOM 1429 CA LYS B 36 3.048 1.351 17.777 1.00 0.55 C ATOM 1430 C LYS B 36 3.863 0.071 17.944 1.00 0.51 C ATOM 1431 O LYS B 36 3.614 -0.733 18.844 1.00 0.61 O ATOM 1432 CB LYS B 36 1.547 1.045 17.765 1.00 0.67 C ATOM 1433 CG LYS B 36 1.034 0.526 16.432 1.00 0.71 C ATOM 1434 CD LYS B 36 -0.453 0.216 16.496 1.00 0.98 C ATOM 1435 CE LYS B 36 -1.012 -0.127 15.125 1.00 1.42 C ATOM 1436 NZ LYS B 36 -0.954 1.031 14.196 1.00 2.08 N ATOM 0 H LYS B 36 2.991 1.744 15.716 1.00 0.47 H new ATOM 0 HA LYS B 36 3.259 1.992 18.633 1.00 0.55 H new ATOM 0 HB2 LYS B 36 1.330 0.308 18.538 1.00 0.67 H new ATOM 0 HB3 LYS B 36 1.000 1.951 18.026 1.00 0.67 H new ATOM 0 HG2 LYS B 36 1.220 1.267 15.655 1.00 0.71 H new ATOM 0 HG3 LYS B 36 1.584 -0.373 16.153 1.00 0.71 H new ATOM 0 HD2 LYS B 36 -0.623 -0.617 17.178 1.00 0.98 H new ATOM 0 HD3 LYS B 36 -0.987 1.075 16.903 1.00 0.98 H new ATOM 0 HE2 LYS B 36 -0.450 -0.960 14.702 1.00 1.42 H new ATOM 0 HE3 LYS B 36 -2.045 -0.459 15.227 1.00 1.42 H new ATOM 0 HZ1 LYS B 36 -1.549 0.839 13.365 1.00 2.08 H new ATOM 0 HZ2 LYS B 36 -1.301 1.883 14.681 1.00 2.08 H new ATOM 0 HZ3 LYS B 36 0.029 1.183 13.891 1.00 2.08 H new ATOM 1450 N LYS B 37 4.836 -0.096 17.044 1.00 0.48 N ATOM 1451 CA LYS B 37 5.795 -1.199 17.087 1.00 0.55 C ATOM 1452 C LYS B 37 5.085 -2.554 17.055 1.00 0.59 C ATOM 1453 O LYS B 37 5.194 -3.347 17.987 1.00 0.76 O ATOM 1454 CB LYS B 37 6.678 -1.074 18.334 1.00 0.72 C ATOM 1455 CG LYS B 37 8.025 -1.766 18.209 1.00 1.19 C ATOM 1456 CD LYS B 37 8.886 -1.534 19.442 1.00 1.42 C ATOM 1457 CE LYS B 37 10.300 -2.062 19.247 1.00 1.99 C ATOM 1458 NZ LYS B 37 10.316 -3.521 18.973 1.00 2.60 N ATOM 0 H LYS B 37 4.980 0.538 16.258 1.00 0.48 H new ATOM 0 HA LYS B 37 6.427 -1.141 16.201 1.00 0.55 H new ATOM 0 HB2 LYS B 37 6.842 -0.017 18.546 1.00 0.72 H new ATOM 0 HB3 LYS B 37 6.144 -1.491 19.188 1.00 0.72 H new ATOM 0 HG2 LYS B 37 7.874 -2.836 18.065 1.00 1.19 H new ATOM 0 HG3 LYS B 37 8.545 -1.396 17.325 1.00 1.19 H new ATOM 0 HD2 LYS B 37 8.923 -0.468 19.665 1.00 1.42 H new ATOM 0 HD3 LYS B 37 8.430 -2.024 20.302 1.00 1.42 H new ATOM 0 HE2 LYS B 37 10.774 -1.533 18.420 1.00 1.99 H new ATOM 0 HE3 LYS B 37 10.891 -1.854 20.139 1.00 1.99 H new ATOM 0 HZ1 LYS B 37 11.251 -3.909 19.211 1.00 2.60 H new ATOM 0 HZ2 LYS B 37 9.589 -3.991 19.550 1.00 2.60 H new ATOM 0 HZ3 LYS B 37 10.119 -3.687 17.965 1.00 2.60 H new ATOM 1472 N GLU B 38 4.368 -2.817 15.971 1.00 0.54 N ATOM 1473 CA GLU B 38 3.590 -4.046 15.847 1.00 0.69 C ATOM 1474 C GLU B 38 4.255 -5.027 14.896 1.00 0.69 C ATOM 1475 O GLU B 38 3.803 -6.160 14.733 1.00 1.03 O ATOM 1476 CB GLU B 38 2.176 -3.731 15.363 1.00 0.79 C ATOM 1477 CG GLU B 38 1.283 -3.145 16.442 1.00 1.35 C ATOM 1478 CD GLU B 38 0.951 -4.150 17.525 1.00 1.41 C ATOM 1479 OE1 GLU B 38 1.715 -4.251 18.503 1.00 2.11 O ATOM 1480 OE2 GLU B 38 -0.081 -4.843 17.406 1.00 1.86 O ATOM 0 H GLU B 38 4.308 -2.197 15.164 1.00 0.54 H new ATOM 0 HA GLU B 38 3.539 -4.509 16.833 1.00 0.69 H new ATOM 0 HB2 GLU B 38 2.233 -3.030 14.530 1.00 0.79 H new ATOM 0 HB3 GLU B 38 1.719 -4.644 14.981 1.00 0.79 H new ATOM 0 HG2 GLU B 38 1.777 -2.282 16.890 1.00 1.35 H new ATOM 0 HG3 GLU B 38 0.359 -2.784 15.989 1.00 1.35 H new ATOM 1487 N ILE B 39 5.327 -4.584 14.268 1.00 0.42 N ATOM 1488 CA ILE B 39 6.052 -5.420 13.323 1.00 0.43 C ATOM 1489 C ILE B 39 7.381 -5.871 13.931 1.00 0.48 C ATOM 1490 O ILE B 39 7.841 -5.296 14.921 1.00 0.52 O ATOM 1491 CB ILE B 39 6.288 -4.667 11.992 1.00 0.38 C ATOM 1492 CG1 ILE B 39 6.812 -5.613 10.909 1.00 0.46 C ATOM 1493 CG2 ILE B 39 7.247 -3.501 12.196 1.00 0.36 C ATOM 1494 CD1 ILE B 39 6.879 -4.986 9.535 1.00 0.47 C ATOM 0 H ILE B 39 5.717 -3.650 14.393 1.00 0.42 H new ATOM 0 HA ILE B 39 5.449 -6.302 13.108 1.00 0.43 H new ATOM 0 HB ILE B 39 5.330 -4.270 11.657 1.00 0.38 H new ATOM 0 HG12 ILE B 39 7.807 -5.957 11.190 1.00 0.46 H new ATOM 0 HG13 ILE B 39 6.170 -6.493 10.866 1.00 0.46 H new ATOM 0 HG21 ILE B 39 7.399 -2.985 11.248 1.00 0.36 H new ATOM 0 HG22 ILE B 39 6.826 -2.807 12.923 1.00 0.36 H new ATOM 0 HG23 ILE B 39 8.203 -3.876 12.563 1.00 0.36 H new ATOM 0 HD11 ILE B 39 7.259 -5.716 8.820 1.00 0.47 H new ATOM 0 HD12 ILE B 39 5.882 -4.667 9.232 1.00 0.47 H new ATOM 0 HD13 ILE B 39 7.544 -4.123 9.561 1.00 0.47 H new ATOM 1501 N SER B 40 7.977 -6.910 13.359 1.00 0.55 N ATOM 1502 CA SER B 40 9.248 -7.430 13.840 1.00 0.62 C ATOM 1503 C SER B 40 10.377 -6.425 13.598 1.00 0.53 C ATOM 1504 O SER B 40 10.255 -5.551 12.736 1.00 0.48 O ATOM 1505 CB SER B 40 9.555 -8.759 13.150 1.00 0.77 C ATOM 1506 OG SER B 40 8.445 -9.639 13.236 1.00 1.82 O ATOM 0 H SER B 40 7.596 -7.411 12.556 1.00 0.55 H new ATOM 0 HA SER B 40 9.174 -7.595 14.915 1.00 0.62 H new ATOM 0 HB2 SER B 40 9.804 -8.582 12.104 1.00 0.77 H new ATOM 0 HB3 SER B 40 10.428 -9.221 13.612 1.00 0.77 H new ATOM 0 HG SER B 40 8.661 -10.483 12.787 1.00 1.82 H new ATOM 1512 N GLU B 41 11.465 -6.550 14.349 1.00 0.59 N ATOM 1513 CA GLU B 41 12.536 -5.550 14.336 1.00 0.60 C ATOM 1514 C GLU B 41 13.095 -5.337 12.930 1.00 0.49 C ATOM 1515 O GLU B 41 13.151 -4.206 12.436 1.00 0.46 O ATOM 1516 CB GLU B 41 13.660 -5.962 15.289 1.00 0.78 C ATOM 1517 CG GLU B 41 13.175 -6.336 16.684 1.00 1.08 C ATOM 1518 CD GLU B 41 12.286 -5.278 17.305 1.00 1.44 C ATOM 1519 OE1 GLU B 41 11.066 -5.294 17.045 1.00 2.19 O ATOM 1520 OE2 GLU B 41 12.796 -4.427 18.065 1.00 1.99 O ATOM 0 H GLU B 41 11.633 -7.335 14.978 1.00 0.59 H new ATOM 0 HA GLU B 41 12.107 -4.606 14.671 1.00 0.60 H new ATOM 0 HB2 GLU B 41 14.195 -6.810 14.861 1.00 0.78 H new ATOM 0 HB3 GLU B 41 14.374 -5.143 15.370 1.00 0.78 H new ATOM 0 HG2 GLU B 41 12.628 -7.278 16.632 1.00 1.08 H new ATOM 0 HG3 GLU B 41 14.037 -6.503 17.330 1.00 1.08 H new ATOM 1527 N ASP B 42 13.479 -6.429 12.279 1.00 0.52 N ATOM 1528 CA ASP B 42 14.052 -6.366 10.935 1.00 0.51 C ATOM 1529 C ASP B 42 13.033 -5.822 9.945 1.00 0.43 C ATOM 1530 O ASP B 42 13.385 -5.136 8.983 1.00 0.47 O ATOM 1531 CB ASP B 42 14.526 -7.748 10.477 1.00 0.61 C ATOM 1532 CG ASP B 42 15.632 -8.309 11.346 1.00 1.49 C ATOM 1533 OD1 ASP B 42 16.817 -8.040 11.059 1.00 2.29 O ATOM 1534 OD2 ASP B 42 15.322 -9.029 12.318 1.00 2.20 O ATOM 0 H ASP B 42 13.405 -7.372 12.660 1.00 0.52 H new ATOM 0 HA ASP B 42 14.910 -5.695 10.970 1.00 0.51 H new ATOM 0 HB2 ASP B 42 13.681 -8.437 10.483 1.00 0.61 H new ATOM 0 HB3 ASP B 42 14.877 -7.683 9.447 1.00 0.61 H new ATOM 1539 N GLY B 43 11.766 -6.129 10.193 1.00 0.39 N ATOM 1540 CA GLY B 43 10.705 -5.644 9.337 1.00 0.37 C ATOM 1541 C GLY B 43 10.538 -4.144 9.441 1.00 0.34 C ATOM 1542 O GLY B 43 10.345 -3.464 8.434 1.00 0.34 O ATOM 0 H GLY B 43 11.456 -6.707 10.974 1.00 0.39 H new ATOM 0 HA2 GLY B 43 10.920 -5.915 8.303 1.00 0.37 H new ATOM 0 HA3 GLY B 43 9.769 -6.133 9.606 1.00 0.37 H new ATOM 1546 N ALA B 44 10.632 -3.629 10.661 1.00 0.33 N ATOM 1547 CA ALA B 44 10.533 -2.196 10.902 1.00 0.33 C ATOM 1548 C ALA B 44 11.647 -1.454 10.180 1.00 0.32 C ATOM 1549 O ALA B 44 11.414 -0.432 9.535 1.00 0.31 O ATOM 1550 CB ALA B 44 10.585 -1.910 12.393 1.00 0.38 C ATOM 0 H ALA B 44 10.777 -4.187 11.503 1.00 0.33 H new ATOM 0 HA ALA B 44 9.578 -1.844 10.512 1.00 0.33 H new ATOM 0 HB1 ALA B 44 10.510 -0.836 12.560 1.00 0.38 H new ATOM 0 HB2 ALA B 44 9.755 -2.413 12.889 1.00 0.38 H new ATOM 0 HB3 ALA B 44 11.527 -2.276 12.801 1.00 0.38 H new ATOM 1556 N ASP B 45 12.856 -1.994 10.278 1.00 0.36 N ATOM 1557 CA ASP B 45 14.015 -1.418 9.604 1.00 0.38 C ATOM 1558 C ASP B 45 13.822 -1.426 8.092 1.00 0.36 C ATOM 1559 O ASP B 45 14.153 -0.462 7.404 1.00 0.37 O ATOM 1560 CB ASP B 45 15.276 -2.198 9.972 1.00 0.48 C ATOM 1561 CG ASP B 45 16.508 -1.664 9.276 1.00 1.11 C ATOM 1562 OD1 ASP B 45 17.108 -0.691 9.786 1.00 1.81 O ATOM 1563 OD2 ASP B 45 16.893 -2.223 8.227 1.00 1.84 O ATOM 0 H ASP B 45 13.060 -2.834 10.820 1.00 0.36 H new ATOM 0 HA ASP B 45 14.123 -0.384 9.932 1.00 0.38 H new ATOM 0 HB2 ASP B 45 15.424 -2.155 11.051 1.00 0.48 H new ATOM 0 HB3 ASP B 45 15.140 -3.247 9.710 1.00 0.48 H new ATOM 1568 N SER B 46 13.266 -2.518 7.584 1.00 0.37 N ATOM 1569 CA SER B 46 13.003 -2.649 6.159 1.00 0.40 C ATOM 1570 C SER B 46 11.968 -1.624 5.699 1.00 0.36 C ATOM 1571 O SER B 46 12.029 -1.129 4.576 1.00 0.38 O ATOM 1572 CB SER B 46 12.534 -4.069 5.848 1.00 0.50 C ATOM 1573 OG SER B 46 13.508 -5.016 6.256 1.00 0.98 O ATOM 0 H SER B 46 12.988 -3.327 8.140 1.00 0.37 H new ATOM 0 HA SER B 46 13.927 -2.455 5.614 1.00 0.40 H new ATOM 0 HB2 SER B 46 11.591 -4.266 6.358 1.00 0.50 H new ATOM 0 HB3 SER B 46 12.346 -4.170 4.779 1.00 0.50 H new ATOM 0 HG SER B 46 13.490 -5.104 7.232 1.00 0.98 H new ATOM 1579 N LEU B 47 11.035 -1.288 6.579 1.00 0.32 N ATOM 1580 CA LEU B 47 10.025 -0.288 6.265 1.00 0.30 C ATOM 1581 C LEU B 47 10.633 1.109 6.232 1.00 0.27 C ATOM 1582 O LEU B 47 10.106 2.006 5.579 1.00 0.28 O ATOM 1583 CB LEU B 47 8.874 -0.336 7.273 1.00 0.30 C ATOM 1584 CG LEU B 47 8.003 -1.593 7.206 1.00 0.35 C ATOM 1585 CD1 LEU B 47 6.885 -1.522 8.234 1.00 0.39 C ATOM 1586 CD2 LEU B 47 7.432 -1.768 5.807 1.00 0.41 C ATOM 0 H LEU B 47 10.957 -1.692 7.512 1.00 0.32 H new ATOM 0 HA LEU B 47 9.629 -0.518 5.276 1.00 0.30 H new ATOM 0 HB2 LEU B 47 9.288 -0.253 8.278 1.00 0.30 H new ATOM 0 HB3 LEU B 47 8.239 0.536 7.117 1.00 0.30 H new ATOM 0 HG LEU B 47 8.625 -2.458 7.436 1.00 0.35 H new ATOM 0 HD11 LEU B 47 6.276 -2.424 8.172 1.00 0.39 H new ATOM 0 HD12 LEU B 47 7.314 -1.442 9.233 1.00 0.39 H new ATOM 0 HD13 LEU B 47 6.263 -0.650 8.035 1.00 0.39 H new ATOM 0 HD21 LEU B 47 6.815 -2.666 5.776 1.00 0.41 H new ATOM 0 HD22 LEU B 47 6.824 -0.901 5.551 1.00 0.41 H new ATOM 0 HD23 LEU B 47 8.248 -1.863 5.090 1.00 0.41 H new ATOM 1598 N ASN B 48 11.750 1.286 6.926 1.00 0.26 N ATOM 1599 CA ASN B 48 12.421 2.581 6.969 1.00 0.26 C ATOM 1600 C ASN B 48 13.043 2.907 5.614 1.00 0.27 C ATOM 1601 O ASN B 48 12.805 3.981 5.055 1.00 0.32 O ATOM 1602 CB ASN B 48 13.500 2.606 8.056 1.00 0.28 C ATOM 1603 CG ASN B 48 12.940 2.467 9.462 1.00 0.33 C ATOM 1604 OD1 ASN B 48 13.583 1.895 10.342 1.00 0.48 O ATOM 1605 ND2 ASN B 48 11.755 3.006 9.695 1.00 0.40 N ATOM 0 H ASN B 48 12.210 0.553 7.465 1.00 0.26 H new ATOM 0 HA ASN B 48 11.672 3.336 7.208 1.00 0.26 H new ATOM 0 HB2 ASN B 48 14.209 1.798 7.873 1.00 0.28 H new ATOM 0 HB3 ASN B 48 14.056 3.541 7.985 1.00 0.28 H new ATOM 0 HD21 ASN B 48 11.346 2.955 10.628 1.00 0.40 H new ATOM 0 HD22 ASN B 48 11.250 3.473 8.942 1.00 0.40 H new ATOM 1612 N VAL B 49 13.831 1.978 5.080 1.00 0.27 N ATOM 1613 CA VAL B 49 14.435 2.172 3.765 1.00 0.29 C ATOM 1614 C VAL B 49 13.358 2.197 2.683 1.00 0.29 C ATOM 1615 O VAL B 49 13.443 2.969 1.725 1.00 0.32 O ATOM 1616 CB VAL B 49 15.502 1.091 3.443 1.00 0.32 C ATOM 1617 CG1 VAL B 49 14.936 -0.312 3.591 1.00 0.34 C ATOM 1618 CG2 VAL B 49 16.075 1.289 2.045 1.00 0.36 C ATOM 0 H VAL B 49 14.064 1.093 5.531 1.00 0.27 H new ATOM 0 HA VAL B 49 14.946 3.134 3.783 1.00 0.29 H new ATOM 0 HB VAL B 49 16.309 1.205 4.167 1.00 0.32 H new ATOM 0 HG11 VAL B 49 15.710 -1.043 3.358 1.00 0.34 H new ATOM 0 HG12 VAL B 49 14.594 -0.460 4.615 1.00 0.34 H new ATOM 0 HG13 VAL B 49 14.098 -0.440 2.906 1.00 0.34 H new ATOM 0 HG21 VAL B 49 16.820 0.519 1.845 1.00 0.36 H new ATOM 0 HG22 VAL B 49 15.273 1.218 1.310 1.00 0.36 H new ATOM 0 HG23 VAL B 49 16.542 2.272 1.979 1.00 0.36 H new ATOM 1622 N ALA B 50 12.327 1.376 2.855 1.00 0.30 N ATOM 1623 CA ALA B 50 11.208 1.353 1.924 1.00 0.34 C ATOM 1624 C ALA B 50 10.479 2.690 1.928 1.00 0.33 C ATOM 1625 O ALA B 50 9.975 3.131 0.901 1.00 0.37 O ATOM 1626 CB ALA B 50 10.246 0.227 2.269 1.00 0.37 C ATOM 0 H ALA B 50 12.245 0.719 3.631 1.00 0.30 H new ATOM 0 HA ALA B 50 11.603 1.176 0.923 1.00 0.34 H new ATOM 0 HB1 ALA B 50 9.417 0.227 1.561 1.00 0.37 H new ATOM 0 HB2 ALA B 50 10.769 -0.728 2.215 1.00 0.37 H new ATOM 0 HB3 ALA B 50 9.862 0.373 3.278 1.00 0.37 H new ATOM 1632 N MET B 51 10.447 3.335 3.089 1.00 0.34 N ATOM 1633 CA MET B 51 9.776 4.620 3.251 1.00 0.39 C ATOM 1634 C MET B 51 10.351 5.651 2.287 1.00 0.31 C ATOM 1635 O MET B 51 9.610 6.359 1.600 1.00 0.30 O ATOM 1636 CB MET B 51 9.933 5.107 4.691 1.00 0.52 C ATOM 1637 CG MET B 51 8.923 6.164 5.103 1.00 0.62 C ATOM 1638 SD MET B 51 7.221 5.583 4.955 1.00 0.65 S ATOM 1639 CE MET B 51 7.357 3.941 5.665 1.00 0.41 C ATOM 0 H MET B 51 10.884 2.984 3.941 1.00 0.34 H new ATOM 0 HA MET B 51 8.717 4.491 3.027 1.00 0.39 H new ATOM 0 HB2 MET B 51 9.844 4.254 5.363 1.00 0.52 H new ATOM 0 HB3 MET B 51 10.937 5.510 4.819 1.00 0.52 H new ATOM 0 HG2 MET B 51 9.114 6.463 6.134 1.00 0.62 H new ATOM 0 HG3 MET B 51 9.056 7.051 4.484 1.00 0.62 H new ATOM 0 HE1 MET B 51 6.405 3.659 6.115 1.00 0.41 H new ATOM 0 HE2 MET B 51 7.614 3.227 4.883 1.00 0.41 H new ATOM 0 HE3 MET B 51 8.135 3.938 6.429 1.00 0.41 H new ATOM 1649 N ASP B 52 11.678 5.721 2.236 1.00 0.31 N ATOM 1650 CA ASP B 52 12.362 6.604 1.296 1.00 0.32 C ATOM 1651 C ASP B 52 12.037 6.208 -0.136 1.00 0.28 C ATOM 1652 O ASP B 52 11.764 7.056 -0.978 1.00 0.30 O ATOM 1653 CB ASP B 52 13.880 6.559 1.496 1.00 0.42 C ATOM 1654 CG ASP B 52 14.345 7.318 2.718 1.00 1.16 C ATOM 1655 OD1 ASP B 52 14.609 8.534 2.603 1.00 1.99 O ATOM 1656 OD2 ASP B 52 14.466 6.702 3.798 1.00 1.84 O ATOM 0 H ASP B 52 12.301 5.178 2.834 1.00 0.31 H new ATOM 0 HA ASP B 52 12.012 7.619 1.486 1.00 0.32 H new ATOM 0 HB2 ASP B 52 14.198 5.520 1.580 1.00 0.42 H new ATOM 0 HB3 ASP B 52 14.368 6.972 0.613 1.00 0.42 H new ATOM 1661 N CYS B 53 12.050 4.907 -0.389 1.00 0.27 N ATOM 1662 CA CYS B 53 11.827 4.376 -1.728 1.00 0.27 C ATOM 1663 C CYS B 53 10.433 4.721 -2.252 1.00 0.28 C ATOM 1664 O CYS B 53 10.293 5.206 -3.371 1.00 0.36 O ATOM 1665 CB CYS B 53 12.025 2.863 -1.723 1.00 0.36 C ATOM 1666 SG CYS B 53 13.652 2.343 -1.136 1.00 1.05 S ATOM 0 H CYS B 53 12.214 4.194 0.321 1.00 0.27 H new ATOM 0 HA CYS B 53 12.553 4.839 -2.396 1.00 0.27 H new ATOM 0 HB2 CYS B 53 11.260 2.408 -1.094 1.00 0.36 H new ATOM 0 HB3 CYS B 53 11.875 2.483 -2.734 1.00 0.36 H new ATOM 0 HG CYS B 53 13.863 2.835 0.049 1.00 1.05 H new ATOM 1672 N ILE B 54 9.409 4.475 -1.440 1.00 0.26 N ATOM 1673 CA ILE B 54 8.028 4.727 -1.849 1.00 0.29 C ATOM 1674 C ILE B 54 7.812 6.211 -2.127 1.00 0.30 C ATOM 1675 O ILE B 54 7.299 6.588 -3.179 1.00 0.33 O ATOM 1676 CB ILE B 54 7.017 4.272 -0.772 1.00 0.29 C ATOM 1677 CG1 ILE B 54 7.267 2.815 -0.376 1.00 0.31 C ATOM 1678 CG2 ILE B 54 5.588 4.439 -1.286 1.00 0.33 C ATOM 1679 CD1 ILE B 54 6.556 2.401 0.897 1.00 0.33 C ATOM 0 H ILE B 54 9.508 4.102 -0.496 1.00 0.26 H new ATOM 0 HA ILE B 54 7.858 4.148 -2.757 1.00 0.29 H new ATOM 0 HB ILE B 54 7.151 4.897 0.111 1.00 0.29 H new ATOM 0 HG12 ILE B 54 6.944 2.166 -1.190 1.00 0.31 H new ATOM 0 HG13 ILE B 54 8.339 2.660 -0.250 1.00 0.31 H new ATOM 0 HG21 ILE B 54 4.885 4.115 -0.518 1.00 0.33 H new ATOM 0 HG22 ILE B 54 5.407 5.487 -1.525 1.00 0.33 H new ATOM 0 HG23 ILE B 54 5.451 3.834 -2.182 1.00 0.33 H new ATOM 0 HD11 ILE B 54 6.779 1.357 1.115 1.00 0.33 H new ATOM 0 HD12 ILE B 54 6.896 3.025 1.723 1.00 0.33 H new ATOM 0 HD13 ILE B 54 5.480 2.523 0.769 1.00 0.33 H new ATOM 1686 N SER B 55 8.226 7.048 -1.186 1.00 0.30 N ATOM 1687 CA SER B 55 8.026 8.484 -1.304 1.00 0.36 C ATOM 1688 C SER B 55 8.794 9.052 -2.501 1.00 0.38 C ATOM 1689 O SER B 55 8.242 9.815 -3.300 1.00 0.41 O ATOM 1690 CB SER B 55 8.446 9.176 -0.003 1.00 0.40 C ATOM 1691 OG SER B 55 9.749 8.782 0.395 1.00 0.80 O ATOM 0 H SER B 55 8.702 6.757 -0.333 1.00 0.30 H new ATOM 0 HA SER B 55 6.967 8.675 -1.476 1.00 0.36 H new ATOM 0 HB2 SER B 55 8.416 10.257 -0.138 1.00 0.40 H new ATOM 0 HB3 SER B 55 7.734 8.934 0.786 1.00 0.40 H new ATOM 0 HG SER B 55 9.709 7.899 0.819 1.00 0.80 H new ATOM 1697 N GLU B 56 10.054 8.650 -2.636 1.00 0.39 N ATOM 1698 CA GLU B 56 10.906 9.123 -3.720 1.00 0.48 C ATOM 1699 C GLU B 56 10.379 8.654 -5.076 1.00 0.42 C ATOM 1700 O GLU B 56 10.515 9.349 -6.082 1.00 0.45 O ATOM 1701 CB GLU B 56 12.338 8.619 -3.516 1.00 0.59 C ATOM 1702 CG GLU B 56 13.344 9.202 -4.491 1.00 0.82 C ATOM 1703 CD GLU B 56 13.517 10.694 -4.319 1.00 1.81 C ATOM 1704 OE1 GLU B 56 14.280 11.107 -3.417 1.00 2.66 O ATOM 1705 OE2 GLU B 56 12.906 11.463 -5.088 1.00 2.38 O ATOM 0 H GLU B 56 10.510 7.993 -2.003 1.00 0.39 H new ATOM 0 HA GLU B 56 10.900 10.213 -3.708 1.00 0.48 H new ATOM 0 HB2 GLU B 56 12.654 8.855 -2.500 1.00 0.59 H new ATOM 0 HB3 GLU B 56 12.346 7.533 -3.608 1.00 0.59 H new ATOM 0 HG2 GLU B 56 14.307 8.709 -4.353 1.00 0.82 H new ATOM 0 HG3 GLU B 56 13.021 8.992 -5.511 1.00 0.82 H new ATOM 1712 N ALA B 57 9.771 7.475 -5.092 1.00 0.38 N ATOM 1713 CA ALA B 57 9.257 6.894 -6.324 1.00 0.39 C ATOM 1714 C ALA B 57 8.109 7.718 -6.897 1.00 0.33 C ATOM 1715 O ALA B 57 8.003 7.890 -8.111 1.00 0.38 O ATOM 1716 CB ALA B 57 8.811 5.459 -6.084 1.00 0.41 C ATOM 0 H ALA B 57 9.622 6.901 -4.262 1.00 0.38 H new ATOM 0 HA ALA B 57 10.065 6.898 -7.056 1.00 0.39 H new ATOM 0 HB1 ALA B 57 8.429 5.037 -7.013 1.00 0.41 H new ATOM 0 HB2 ALA B 57 9.659 4.868 -5.738 1.00 0.41 H new ATOM 0 HB3 ALA B 57 8.026 5.444 -5.328 1.00 0.41 H new ATOM 1722 N PHE B 58 7.258 8.232 -6.023 1.00 0.28 N ATOM 1723 CA PHE B 58 6.087 8.982 -6.459 1.00 0.27 C ATOM 1724 C PHE B 58 6.356 10.483 -6.476 1.00 0.30 C ATOM 1725 O PHE B 58 5.590 11.252 -7.055 1.00 0.38 O ATOM 1726 CB PHE B 58 4.892 8.664 -5.565 1.00 0.27 C ATOM 1727 CG PHE B 58 4.378 7.258 -5.722 1.00 0.25 C ATOM 1728 CD1 PHE B 58 5.055 6.189 -5.159 1.00 1.24 C ATOM 1729 CD2 PHE B 58 3.218 7.008 -6.433 1.00 1.18 C ATOM 1730 CE1 PHE B 58 4.586 4.899 -5.299 1.00 1.21 C ATOM 1731 CE2 PHE B 58 2.741 5.717 -6.577 1.00 1.22 C ATOM 1732 CZ PHE B 58 3.426 4.663 -6.010 1.00 0.29 C ATOM 0 H PHE B 58 7.354 8.145 -5.011 1.00 0.28 H new ATOM 0 HA PHE B 58 5.857 8.677 -7.480 1.00 0.27 H new ATOM 0 HB2 PHE B 58 5.175 8.824 -4.525 1.00 0.27 H new ATOM 0 HB3 PHE B 58 4.086 9.363 -5.788 1.00 0.27 H new ATOM 0 HD1 PHE B 58 5.963 6.368 -4.602 1.00 1.24 H new ATOM 0 HD2 PHE B 58 2.679 7.830 -6.881 1.00 1.18 H new ATOM 0 HE1 PHE B 58 5.125 4.076 -4.854 1.00 1.21 H new ATOM 0 HE2 PHE B 58 1.833 5.535 -7.133 1.00 1.22 H new ATOM 0 HZ PHE B 58 3.056 3.655 -6.122 1.00 0.29 H new ATOM 1742 N GLY B 59 7.445 10.895 -5.842 1.00 0.33 N ATOM 1743 CA GLY B 59 7.859 12.284 -5.909 1.00 0.38 C ATOM 1744 C GLY B 59 7.323 13.127 -4.769 1.00 0.37 C ATOM 1745 O GLY B 59 6.872 14.255 -4.984 1.00 0.42 O ATOM 0 H GLY B 59 8.050 10.293 -5.283 1.00 0.33 H new ATOM 0 HA2 GLY B 59 8.948 12.332 -5.906 1.00 0.38 H new ATOM 0 HA3 GLY B 59 7.524 12.710 -6.855 1.00 0.38 H new ATOM 1749 N PHE B 60 7.370 12.592 -3.560 1.00 0.35 N ATOM 1750 CA PHE B 60 6.963 13.339 -2.379 1.00 0.39 C ATOM 1751 C PHE B 60 7.790 12.895 -1.185 1.00 0.39 C ATOM 1752 O PHE B 60 8.525 11.915 -1.269 1.00 0.42 O ATOM 1753 CB PHE B 60 5.461 13.158 -2.096 1.00 0.40 C ATOM 1754 CG PHE B 60 5.061 11.780 -1.629 1.00 0.30 C ATOM 1755 CD1 PHE B 60 4.700 10.801 -2.538 1.00 1.19 C ATOM 1756 CD2 PHE B 60 5.030 11.475 -0.276 1.00 1.21 C ATOM 1757 CE1 PHE B 60 4.320 9.543 -2.106 1.00 1.23 C ATOM 1758 CE2 PHE B 60 4.651 10.221 0.161 1.00 1.19 C ATOM 1759 CZ PHE B 60 4.296 9.253 -0.756 1.00 0.33 C ATOM 0 H PHE B 60 7.686 11.641 -3.369 1.00 0.35 H new ATOM 0 HA PHE B 60 7.137 14.399 -2.561 1.00 0.39 H new ATOM 0 HB2 PHE B 60 5.159 13.883 -1.340 1.00 0.40 H new ATOM 0 HB3 PHE B 60 4.905 13.393 -3.003 1.00 0.40 H new ATOM 0 HD1 PHE B 60 4.715 11.021 -3.595 1.00 1.19 H new ATOM 0 HD2 PHE B 60 5.306 12.229 0.446 1.00 1.21 H new ATOM 0 HE1 PHE B 60 4.042 8.787 -2.825 1.00 1.23 H new ATOM 0 HE2 PHE B 60 4.633 9.999 1.218 1.00 1.19 H new ATOM 0 HZ PHE B 60 4.000 8.271 -0.419 1.00 0.33 H new ATOM 1769 N GLU B 61 7.690 13.621 -0.084 1.00 0.47 N ATOM 1770 CA GLU B 61 8.392 13.245 1.132 1.00 0.55 C ATOM 1771 C GLU B 61 7.401 12.865 2.221 1.00 0.50 C ATOM 1772 O GLU B 61 6.218 13.183 2.112 1.00 0.47 O ATOM 1773 CB GLU B 61 9.296 14.380 1.608 1.00 0.70 C ATOM 1774 CG GLU B 61 10.364 14.766 0.601 1.00 0.80 C ATOM 1775 CD GLU B 61 11.288 15.840 1.126 1.00 1.48 C ATOM 1776 OE1 GLU B 61 10.988 17.037 0.932 1.00 2.33 O ATOM 1777 OE2 GLU B 61 12.316 15.492 1.742 1.00 2.06 O ATOM 0 H GLU B 61 7.132 14.471 -0.007 1.00 0.47 H new ATOM 0 HA GLU B 61 9.017 12.379 0.912 1.00 0.55 H new ATOM 0 HB2 GLU B 61 8.683 15.254 1.829 1.00 0.70 H new ATOM 0 HB3 GLU B 61 9.777 14.084 2.540 1.00 0.70 H new ATOM 0 HG2 GLU B 61 10.948 13.884 0.339 1.00 0.80 H new ATOM 0 HG3 GLU B 61 9.887 15.116 -0.314 1.00 0.80 H new ATOM 1784 N ARG B 62 7.870 12.194 3.264 1.00 0.53 N ATOM 1785 CA ARG B 62 6.985 11.710 4.319 1.00 0.53 C ATOM 1786 C ARG B 62 6.183 12.851 4.939 1.00 0.52 C ATOM 1787 O ARG B 62 4.979 12.733 5.127 1.00 0.64 O ATOM 1788 CB ARG B 62 7.779 10.974 5.401 1.00 0.62 C ATOM 1789 CG ARG B 62 6.908 10.459 6.534 1.00 1.40 C ATOM 1790 CD ARG B 62 7.716 9.704 7.573 1.00 1.46 C ATOM 1791 NE ARG B 62 6.884 9.302 8.703 1.00 2.25 N ATOM 1792 CZ ARG B 62 7.280 8.490 9.680 1.00 2.60 C ATOM 1793 NH1 ARG B 62 8.500 7.967 9.667 1.00 2.13 N ATOM 1794 NH2 ARG B 62 6.446 8.199 10.670 1.00 3.67 N ATOM 0 H ARG B 62 8.856 11.972 3.404 1.00 0.53 H new ATOM 0 HA ARG B 62 6.284 11.011 3.863 1.00 0.53 H new ATOM 0 HB2 ARG B 62 8.308 10.136 4.948 1.00 0.62 H new ATOM 0 HB3 ARG B 62 8.535 11.645 5.808 1.00 0.62 H new ATOM 0 HG2 ARG B 62 6.399 11.297 7.010 1.00 1.40 H new ATOM 0 HG3 ARG B 62 6.136 9.805 6.129 1.00 1.40 H new ATOM 0 HD2 ARG B 62 8.165 8.821 7.117 1.00 1.46 H new ATOM 0 HD3 ARG B 62 8.535 10.331 7.926 1.00 1.46 H new ATOM 0 HE ARG B 62 5.933 9.669 8.747 1.00 2.25 H new ATOM 0 HH11 ARG B 62 9.141 8.187 8.905 1.00 2.13 H new ATOM 0 HH12 ARG B 62 8.796 7.345 10.419 1.00 2.13 H new ATOM 0 HH21 ARG B 62 5.507 8.597 10.679 1.00 3.67 H new ATOM 0 HH22 ARG B 62 6.744 7.577 11.422 1.00 3.67 H new ATOM 1808 N GLU B 63 6.841 13.970 5.212 1.00 0.57 N ATOM 1809 CA GLU B 63 6.179 15.116 5.833 1.00 0.63 C ATOM 1810 C GLU B 63 5.094 15.711 4.929 1.00 0.62 C ATOM 1811 O GLU B 63 4.308 16.555 5.360 1.00 0.74 O ATOM 1812 CB GLU B 63 7.204 16.189 6.193 1.00 0.73 C ATOM 1813 CG GLU B 63 8.196 15.744 7.254 1.00 1.69 C ATOM 1814 CD GLU B 63 9.181 16.831 7.622 1.00 2.52 C ATOM 1815 OE1 GLU B 63 8.888 17.616 8.550 1.00 3.12 O ATOM 1816 OE2 GLU B 63 10.250 16.910 6.983 1.00 3.19 O ATOM 0 H GLU B 63 7.832 14.111 5.014 1.00 0.57 H new ATOM 0 HA GLU B 63 5.694 14.758 6.741 1.00 0.63 H new ATOM 0 HB2 GLU B 63 7.749 16.476 5.294 1.00 0.73 H new ATOM 0 HB3 GLU B 63 6.680 17.078 6.546 1.00 0.73 H new ATOM 0 HG2 GLU B 63 7.653 15.434 8.147 1.00 1.69 H new ATOM 0 HG3 GLU B 63 8.741 14.872 6.893 1.00 1.69 H new ATOM 1823 N ALA B 64 5.044 15.262 3.682 1.00 0.55 N ATOM 1824 CA ALA B 64 4.061 15.757 2.733 1.00 0.59 C ATOM 1825 C ALA B 64 2.838 14.847 2.671 1.00 0.53 C ATOM 1826 O ALA B 64 1.847 15.181 2.017 1.00 0.56 O ATOM 1827 CB ALA B 64 4.683 15.893 1.353 1.00 0.66 C ATOM 0 H ALA B 64 5.675 14.554 3.305 1.00 0.55 H new ATOM 0 HA ALA B 64 3.732 16.738 3.075 1.00 0.59 H new ATOM 0 HB1 ALA B 64 3.936 16.265 0.652 1.00 0.66 H new ATOM 0 HB2 ALA B 64 5.518 16.592 1.398 1.00 0.66 H new ATOM 0 HB3 ALA B 64 5.042 14.920 1.018 1.00 0.66 H new ATOM 1833 N VAL B 65 2.899 13.710 3.363 1.00 0.50 N ATOM 1834 CA VAL B 65 1.820 12.726 3.308 1.00 0.46 C ATOM 1835 C VAL B 65 0.526 13.300 3.883 1.00 0.52 C ATOM 1836 O VAL B 65 -0.559 13.043 3.365 1.00 0.53 O ATOM 1837 CB VAL B 65 2.190 11.408 4.041 1.00 0.46 C ATOM 1838 CG1 VAL B 65 2.328 11.607 5.539 1.00 0.51 C ATOM 1839 CG2 VAL B 65 1.168 10.326 3.755 1.00 0.50 C ATOM 0 H VAL B 65 3.680 13.449 3.965 1.00 0.50 H new ATOM 0 HA VAL B 65 1.666 12.488 2.255 1.00 0.46 H new ATOM 0 HB VAL B 65 3.160 11.094 3.656 1.00 0.46 H new ATOM 0 HG11 VAL B 65 2.587 10.659 6.010 1.00 0.51 H new ATOM 0 HG12 VAL B 65 3.112 12.337 5.738 1.00 0.51 H new ATOM 0 HG13 VAL B 65 1.384 11.968 5.947 1.00 0.51 H new ATOM 0 HG21 VAL B 65 1.449 9.413 4.279 1.00 0.50 H new ATOM 0 HG22 VAL B 65 0.186 10.653 4.097 1.00 0.50 H new ATOM 0 HG23 VAL B 65 1.133 10.133 2.683 1.00 0.50 H new ATOM 1843 N SER B 66 0.650 14.105 4.932 1.00 0.62 N ATOM 1844 CA SER B 66 -0.499 14.722 5.574 1.00 0.74 C ATOM 1845 C SER B 66 -1.240 15.639 4.602 1.00 0.75 C ATOM 1846 O SER B 66 -2.472 15.641 4.548 1.00 0.83 O ATOM 1847 CB SER B 66 -0.037 15.501 6.803 1.00 0.88 C ATOM 1848 OG SER B 66 1.131 16.252 6.509 1.00 1.63 O ATOM 0 H SER B 66 1.545 14.346 5.358 1.00 0.62 H new ATOM 0 HA SER B 66 -1.192 13.940 5.885 1.00 0.74 H new ATOM 0 HB2 SER B 66 -0.831 16.169 7.136 1.00 0.88 H new ATOM 0 HB3 SER B 66 0.164 14.811 7.623 1.00 0.88 H new ATOM 0 HG SER B 66 1.412 16.746 7.307 1.00 1.63 H new ATOM 1854 N GLY B 67 -0.478 16.407 3.833 1.00 0.71 N ATOM 1855 CA GLY B 67 -1.065 17.283 2.842 1.00 0.74 C ATOM 1856 C GLY B 67 -1.779 16.510 1.757 1.00 0.69 C ATOM 1857 O GLY B 67 -2.922 16.815 1.419 1.00 0.74 O ATOM 0 H GLY B 67 0.540 16.437 3.880 1.00 0.71 H new ATOM 0 HA2 GLY B 67 -1.768 17.960 3.327 1.00 0.74 H new ATOM 0 HA3 GLY B 67 -0.285 17.899 2.395 1.00 0.74 H new ATOM 1861 N ILE B 68 -1.107 15.494 1.226 1.00 0.61 N ATOM 1862 CA ILE B 68 -1.684 14.650 0.187 1.00 0.58 C ATOM 1863 C ILE B 68 -2.963 13.984 0.685 1.00 0.62 C ATOM 1864 O ILE B 68 -3.991 14.008 0.012 1.00 0.70 O ATOM 1865 CB ILE B 68 -0.690 13.561 -0.275 1.00 0.50 C ATOM 1866 CG1 ILE B 68 0.581 14.206 -0.836 1.00 0.49 C ATOM 1867 CG2 ILE B 68 -1.333 12.654 -1.317 1.00 0.49 C ATOM 1868 CD1 ILE B 68 1.641 13.208 -1.246 1.00 0.45 C ATOM 0 H ILE B 68 -0.159 15.235 1.499 1.00 0.61 H new ATOM 0 HA ILE B 68 -1.914 15.295 -0.661 1.00 0.58 H new ATOM 0 HB ILE B 68 -0.420 12.952 0.587 1.00 0.50 H new ATOM 0 HG12 ILE B 68 0.317 14.817 -1.699 1.00 0.49 H new ATOM 0 HG13 ILE B 68 0.998 14.878 -0.086 1.00 0.49 H new ATOM 0 HG21 ILE B 68 -0.617 11.894 -1.629 1.00 0.49 H new ATOM 0 HG22 ILE B 68 -2.210 12.171 -0.887 1.00 0.49 H new ATOM 0 HG23 ILE B 68 -1.632 13.247 -2.181 1.00 0.49 H new ATOM 0 HD11 ILE B 68 2.511 13.739 -1.633 1.00 0.45 H new ATOM 0 HD12 ILE B 68 1.935 12.613 -0.381 1.00 0.45 H new ATOM 0 HD13 ILE B 68 1.243 12.551 -2.020 1.00 0.45 H new ATOM 1875 N LEU B 69 -2.897 13.418 1.882 1.00 0.61 N ATOM 1876 CA LEU B 69 -4.036 12.722 2.463 1.00 0.66 C ATOM 1877 C LEU B 69 -5.196 13.672 2.740 1.00 0.84 C ATOM 1878 O LEU B 69 -6.359 13.290 2.612 1.00 1.13 O ATOM 1879 CB LEU B 69 -3.621 12.000 3.743 1.00 0.61 C ATOM 1880 CG LEU B 69 -2.677 10.813 3.534 1.00 0.46 C ATOM 1881 CD1 LEU B 69 -2.369 10.118 4.851 1.00 0.49 C ATOM 1882 CD2 LEU B 69 -3.277 9.830 2.543 1.00 0.45 C ATOM 0 H LEU B 69 -2.064 13.427 2.471 1.00 0.61 H new ATOM 0 HA LEU B 69 -4.380 11.986 1.736 1.00 0.66 H new ATOM 0 HB2 LEU B 69 -3.139 12.717 4.408 1.00 0.61 H new ATOM 0 HB3 LEU B 69 -4.518 11.647 4.252 1.00 0.61 H new ATOM 0 HG LEU B 69 -1.740 11.194 3.128 1.00 0.46 H new ATOM 0 HD11 LEU B 69 -1.697 9.279 4.671 1.00 0.49 H new ATOM 0 HD12 LEU B 69 -1.894 10.824 5.533 1.00 0.49 H new ATOM 0 HD13 LEU B 69 -3.295 9.752 5.295 1.00 0.49 H new ATOM 0 HD21 LEU B 69 -2.595 8.991 2.404 1.00 0.45 H new ATOM 0 HD22 LEU B 69 -4.230 9.464 2.925 1.00 0.45 H new ATOM 0 HD23 LEU B 69 -3.438 10.329 1.587 1.00 0.45 H new ATOM 1894 N GLY B 70 -4.877 14.906 3.104 1.00 0.79 N ATOM 1895 CA GLY B 70 -5.909 15.897 3.343 1.00 0.93 C ATOM 1896 C GLY B 70 -6.627 16.296 2.067 1.00 0.98 C ATOM 1897 O GLY B 70 -7.807 16.657 2.094 1.00 1.24 O ATOM 0 H GLY B 70 -3.922 15.240 3.238 1.00 0.79 H new ATOM 0 HA2 GLY B 70 -6.632 15.501 4.056 1.00 0.93 H new ATOM 0 HA3 GLY B 70 -5.463 16.781 3.799 1.00 0.93 H new ATOM 1901 N LYS B 71 -5.913 16.232 0.950 1.00 0.86 N ATOM 1902 CA LYS B 71 -6.482 16.567 -0.351 1.00 0.97 C ATOM 1903 C LYS B 71 -7.208 15.366 -0.947 1.00 0.98 C ATOM 1904 O LYS B 71 -8.247 15.511 -1.591 1.00 1.25 O ATOM 1905 CB LYS B 71 -5.381 17.014 -1.315 1.00 1.11 C ATOM 1906 CG LYS B 71 -4.578 18.212 -0.837 1.00 1.68 C ATOM 1907 CD LYS B 71 -5.423 19.473 -0.772 1.00 2.11 C ATOM 1908 CE LYS B 71 -4.575 20.686 -0.418 1.00 2.60 C ATOM 1909 NZ LYS B 71 -3.448 20.873 -1.373 1.00 3.15 N ATOM 0 H LYS B 71 -4.933 15.950 0.919 1.00 0.86 H new ATOM 0 HA LYS B 71 -7.193 17.381 -0.206 1.00 0.97 H new ATOM 0 HB2 LYS B 71 -4.701 16.179 -1.483 1.00 1.11 H new ATOM 0 HB3 LYS B 71 -5.833 17.255 -2.277 1.00 1.11 H new ATOM 0 HG2 LYS B 71 -4.164 18.001 0.149 1.00 1.68 H new ATOM 0 HG3 LYS B 71 -3.735 18.375 -1.508 1.00 1.68 H new ATOM 0 HD2 LYS B 71 -5.912 19.636 -1.732 1.00 2.11 H new ATOM 0 HD3 LYS B 71 -6.211 19.348 -0.030 1.00 2.11 H new ATOM 0 HE2 LYS B 71 -5.201 21.578 -0.416 1.00 2.60 H new ATOM 0 HE3 LYS B 71 -4.180 20.571 0.591 1.00 2.60 H new ATOM 0 HZ1 LYS B 71 -3.096 21.850 -1.308 1.00 3.15 H new ATOM 0 HZ2 LYS B 71 -2.680 20.212 -1.138 1.00 3.15 H new ATOM 0 HZ3 LYS B 71 -3.779 20.688 -2.341 1.00 3.15 H new ATOM 1923 N SER B 72 -6.643 14.187 -0.728 1.00 0.91 N ATOM 1924 CA SER B 72 -7.160 12.952 -1.304 1.00 1.08 C ATOM 1925 C SER B 72 -8.576 12.640 -0.822 1.00 1.03 C ATOM 1926 O SER B 72 -8.986 13.053 0.266 1.00 1.20 O ATOM 1927 CB SER B 72 -6.236 11.789 -0.936 1.00 1.29 C ATOM 1928 OG SER B 72 -6.234 11.562 0.466 1.00 2.02 O ATOM 0 H SER B 72 -5.814 14.059 -0.147 1.00 0.91 H new ATOM 0 HA SER B 72 -7.196 13.085 -2.385 1.00 1.08 H new ATOM 0 HB2 SER B 72 -6.559 10.886 -1.453 1.00 1.29 H new ATOM 0 HB3 SER B 72 -5.222 12.005 -1.274 1.00 1.29 H new ATOM 0 HG SER B 72 -6.433 12.400 0.933 1.00 2.02 H new ATOM 1934 N GLU B 73 -9.302 11.877 -1.633 1.00 1.12 N ATOM 1935 CA GLU B 73 -10.647 11.419 -1.287 1.00 1.30 C ATOM 1936 C GLU B 73 -10.575 10.250 -0.307 1.00 1.26 C ATOM 1937 O GLU B 73 -11.528 9.487 -0.161 1.00 1.86 O ATOM 1938 CB GLU B 73 -11.390 10.976 -2.549 1.00 1.67 C ATOM 1939 CG GLU B 73 -11.551 12.064 -3.599 1.00 1.87 C ATOM 1940 CD GLU B 73 -12.666 13.041 -3.291 1.00 2.11 C ATOM 1941 OE1 GLU B 73 -13.840 12.694 -3.531 1.00 2.64 O ATOM 1942 OE2 GLU B 73 -12.374 14.166 -2.839 1.00 2.46 O ATOM 0 H GLU B 73 -8.978 11.559 -2.546 1.00 1.12 H new ATOM 0 HA GLU B 73 -11.183 12.245 -0.820 1.00 1.30 H new ATOM 0 HB2 GLU B 73 -10.857 10.136 -2.993 1.00 1.67 H new ATOM 0 HB3 GLU B 73 -12.378 10.613 -2.265 1.00 1.67 H new ATOM 0 HG2 GLU B 73 -10.613 12.612 -3.689 1.00 1.87 H new ATOM 0 HG3 GLU B 73 -11.743 11.599 -4.566 1.00 1.87 H new ATOM 1949 N PHE B 74 -9.427 10.094 0.333 1.00 1.03 N ATOM 1950 CA PHE B 74 -9.243 9.049 1.324 1.00 1.02 C ATOM 1951 C PHE B 74 -9.147 9.656 2.714 1.00 1.07 C ATOM 1952 O PHE B 74 -9.202 8.948 3.718 1.00 1.44 O ATOM 1953 CB PHE B 74 -8.004 8.222 0.994 1.00 0.94 C ATOM 1954 CG PHE B 74 -8.082 7.585 -0.364 1.00 0.96 C ATOM 1955 CD1 PHE B 74 -8.920 6.505 -0.587 1.00 1.61 C ATOM 1956 CD2 PHE B 74 -7.330 8.073 -1.419 1.00 1.18 C ATOM 1957 CE1 PHE B 74 -9.005 5.925 -1.837 1.00 1.70 C ATOM 1958 CE2 PHE B 74 -7.409 7.495 -2.671 1.00 1.25 C ATOM 1959 CZ PHE B 74 -8.248 6.420 -2.880 1.00 1.19 C ATOM 0 H PHE B 74 -8.607 10.681 0.182 1.00 1.03 H new ATOM 0 HA PHE B 74 -10.106 8.384 1.306 1.00 1.02 H new ATOM 0 HB2 PHE B 74 -7.122 8.860 1.042 1.00 0.94 H new ATOM 0 HB3 PHE B 74 -7.878 7.446 1.749 1.00 0.94 H new ATOM 0 HD1 PHE B 74 -9.513 6.112 0.226 1.00 1.61 H new ATOM 0 HD2 PHE B 74 -6.674 8.916 -1.261 1.00 1.18 H new ATOM 0 HE1 PHE B 74 -9.663 5.084 -1.999 1.00 1.70 H new ATOM 0 HE2 PHE B 74 -6.815 7.884 -3.485 1.00 1.25 H new ATOM 0 HZ PHE B 74 -8.313 5.966 -3.858 1.00 1.19 H new ATOM 2015 N HIS B 78 -6.303 5.242 7.434 1.00 0.88 N ATOM 2016 CA HIS B 78 -5.301 4.191 7.315 1.00 0.85 C ATOM 2017 C HIS B 78 -5.707 3.218 6.219 1.00 0.69 C ATOM 2018 O HIS B 78 -6.866 2.810 6.132 1.00 0.68 O ATOM 2019 CB HIS B 78 -5.139 3.432 8.636 1.00 1.02 C ATOM 2020 CG HIS B 78 -4.789 4.298 9.809 1.00 1.16 C ATOM 2021 ND1 HIS B 78 -5.629 4.472 10.886 1.00 1.50 N ATOM 2022 CD2 HIS B 78 -3.682 5.030 10.076 1.00 1.41 C ATOM 2023 CE1 HIS B 78 -5.058 5.276 11.762 1.00 1.95 C ATOM 2024 NE2 HIS B 78 -3.875 5.628 11.297 1.00 1.85 N ATOM 0 HA HIS B 78 -4.347 4.656 7.064 1.00 0.85 H new ATOM 0 HB2 HIS B 78 -6.067 2.904 8.854 1.00 1.02 H new ATOM 0 HB3 HIS B 78 -4.363 2.676 8.514 1.00 1.02 H new ATOM 0 HD2 HIS B 78 -2.810 5.126 9.446 1.00 1.41 H new ATOM 0 HE1 HIS B 78 -5.487 5.593 12.701 1.00 1.95 H new ATOM 0 HE2 HIS B 78 -3.212 6.244 11.767 1.00 1.85 H new ATOM 2033 N LEU B 79 -4.730 2.858 5.388 1.00 0.60 N ATOM 2034 CA LEU B 79 -4.947 1.969 4.249 1.00 0.46 C ATOM 2035 C LEU B 79 -5.625 0.670 4.677 1.00 0.44 C ATOM 2036 O LEU B 79 -6.404 0.091 3.926 1.00 0.42 O ATOM 2037 CB LEU B 79 -3.608 1.655 3.574 1.00 0.44 C ATOM 2038 CG LEU B 79 -3.691 0.806 2.305 1.00 0.37 C ATOM 2039 CD1 LEU B 79 -4.378 1.577 1.189 1.00 0.38 C ATOM 2040 CD2 LEU B 79 -2.305 0.359 1.872 1.00 0.41 C ATOM 0 H LEU B 79 -3.765 3.175 5.486 1.00 0.60 H new ATOM 0 HA LEU B 79 -5.605 2.478 3.545 1.00 0.46 H new ATOM 0 HB2 LEU B 79 -3.116 2.596 3.329 1.00 0.44 H new ATOM 0 HB3 LEU B 79 -2.971 1.140 4.293 1.00 0.44 H new ATOM 0 HG LEU B 79 -4.285 -0.081 2.523 1.00 0.37 H new ATOM 0 HD11 LEU B 79 -4.427 0.956 0.295 1.00 0.38 H new ATOM 0 HD12 LEU B 79 -5.387 1.846 1.500 1.00 0.38 H new ATOM 0 HD13 LEU B 79 -3.812 2.483 0.971 1.00 0.38 H new ATOM 0 HD21 LEU B 79 -2.383 -0.244 0.967 1.00 0.41 H new ATOM 0 HD22 LEU B 79 -1.686 1.234 1.672 1.00 0.41 H new ATOM 0 HD23 LEU B 79 -1.850 -0.234 2.665 1.00 0.41 H new ATOM 2052 N ALA B 80 -5.333 0.228 5.891 1.00 0.50 N ATOM 2053 CA ALA B 80 -5.899 -1.007 6.410 1.00 0.54 C ATOM 2054 C ALA B 80 -7.388 -0.855 6.700 1.00 0.58 C ATOM 2055 O ALA B 80 -8.182 -1.731 6.363 1.00 0.61 O ATOM 2056 CB ALA B 80 -5.151 -1.435 7.657 1.00 0.63 C ATOM 0 H ALA B 80 -4.706 0.708 6.536 1.00 0.50 H new ATOM 0 HA ALA B 80 -5.790 -1.780 5.649 1.00 0.54 H new ATOM 0 HB1 ALA B 80 -5.581 -2.361 8.040 1.00 0.63 H new ATOM 0 HB2 ALA B 80 -4.101 -1.596 7.414 1.00 0.63 H new ATOM 0 HB3 ALA B 80 -5.233 -0.656 8.415 1.00 0.63 H new ATOM 2062 N ASP B 81 -7.762 0.264 7.314 1.00 0.64 N ATOM 2063 CA ASP B 81 -9.167 0.550 7.606 1.00 0.70 C ATOM 2064 C ASP B 81 -9.956 0.661 6.310 1.00 0.60 C ATOM 2065 O ASP B 81 -11.104 0.219 6.220 1.00 0.67 O ATOM 2066 CB ASP B 81 -9.305 1.848 8.407 1.00 0.78 C ATOM 2067 CG ASP B 81 -8.702 1.754 9.794 1.00 1.52 C ATOM 2068 OD1 ASP B 81 -7.466 1.853 9.919 1.00 2.30 O ATOM 2069 OD2 ASP B 81 -9.467 1.585 10.770 1.00 2.06 O ATOM 0 H ASP B 81 -7.113 0.989 7.620 1.00 0.64 H new ATOM 0 HA ASP B 81 -9.565 -0.270 8.204 1.00 0.70 H new ATOM 0 HB2 ASP B 81 -8.822 2.659 7.861 1.00 0.78 H new ATOM 0 HB3 ASP B 81 -10.361 2.105 8.492 1.00 0.78 H new ATOM 2074 N ILE B 82 -9.318 1.249 5.308 1.00 0.50 N ATOM 2075 CA ILE B 82 -9.895 1.356 3.976 1.00 0.44 C ATOM 2076 C ILE B 82 -10.145 -0.028 3.382 1.00 0.48 C ATOM 2077 O ILE B 82 -11.256 -0.339 2.956 1.00 0.60 O ATOM 2078 CB ILE B 82 -8.969 2.168 3.046 1.00 0.41 C ATOM 2079 CG1 ILE B 82 -8.970 3.641 3.461 1.00 0.51 C ATOM 2080 CG2 ILE B 82 -9.386 2.016 1.590 1.00 0.46 C ATOM 2081 CD1 ILE B 82 -7.997 4.494 2.680 1.00 0.61 C ATOM 0 H ILE B 82 -8.390 1.664 5.395 1.00 0.50 H new ATOM 0 HA ILE B 82 -10.849 1.876 4.064 1.00 0.44 H new ATOM 0 HB ILE B 82 -7.956 1.778 3.142 1.00 0.41 H new ATOM 0 HG12 ILE B 82 -9.975 4.044 3.335 1.00 0.51 H new ATOM 0 HG13 ILE B 82 -8.730 3.710 4.522 1.00 0.51 H new ATOM 0 HG21 ILE B 82 -8.717 2.599 0.957 1.00 0.46 H new ATOM 0 HG22 ILE B 82 -9.333 0.965 1.304 1.00 0.46 H new ATOM 0 HG23 ILE B 82 -10.408 2.375 1.465 1.00 0.46 H new ATOM 0 HD11 ILE B 82 -8.055 5.525 3.030 1.00 0.61 H new ATOM 0 HD12 ILE B 82 -6.985 4.117 2.826 1.00 0.61 H new ATOM 0 HD13 ILE B 82 -8.249 4.456 1.620 1.00 0.61 H new ATOM 2088 N LEU B 83 -9.109 -0.858 3.376 1.00 0.44 N ATOM 2089 CA LEU B 83 -9.205 -2.212 2.841 1.00 0.52 C ATOM 2090 C LEU B 83 -10.209 -3.047 3.630 1.00 0.69 C ATOM 2091 O LEU B 83 -10.927 -3.869 3.064 1.00 0.83 O ATOM 2092 CB LEU B 83 -7.830 -2.882 2.854 1.00 0.47 C ATOM 2093 CG LEU B 83 -6.986 -2.689 1.588 1.00 0.39 C ATOM 2094 CD1 LEU B 83 -6.914 -1.224 1.188 1.00 0.32 C ATOM 2095 CD2 LEU B 83 -5.589 -3.242 1.805 1.00 0.43 C ATOM 0 H LEU B 83 -8.187 -0.616 3.738 1.00 0.44 H new ATOM 0 HA LEU B 83 -9.559 -2.146 1.812 1.00 0.52 H new ATOM 0 HB2 LEU B 83 -7.267 -2.499 3.706 1.00 0.47 H new ATOM 0 HB3 LEU B 83 -7.968 -3.951 3.017 1.00 0.47 H new ATOM 0 HG LEU B 83 -7.467 -3.234 0.776 1.00 0.39 H new ATOM 0 HD11 LEU B 83 -6.309 -1.122 0.287 1.00 0.32 H new ATOM 0 HD12 LEU B 83 -7.919 -0.850 0.994 1.00 0.32 H new ATOM 0 HD13 LEU B 83 -6.462 -0.648 1.996 1.00 0.32 H new ATOM 0 HD21 LEU B 83 -4.997 -3.100 0.901 1.00 0.43 H new ATOM 0 HD22 LEU B 83 -5.115 -2.718 2.635 1.00 0.43 H new ATOM 0 HD23 LEU B 83 -5.650 -4.306 2.036 1.00 0.43 H new ATOM 2107 N ASN B 84 -10.259 -2.822 4.936 1.00 0.74 N ATOM 2108 CA ASN B 84 -11.222 -3.499 5.800 1.00 0.94 C ATOM 2109 C ASN B 84 -12.645 -3.180 5.345 1.00 0.97 C ATOM 2110 O ASN B 84 -13.524 -4.041 5.346 1.00 1.14 O ATOM 2111 CB ASN B 84 -11.017 -3.056 7.258 1.00 1.03 C ATOM 2112 CG ASN B 84 -11.785 -3.898 8.266 1.00 1.27 C ATOM 2113 OD1 ASN B 84 -12.833 -4.464 7.969 1.00 1.83 O ATOM 2114 ND2 ASN B 84 -11.263 -3.980 9.480 1.00 1.79 N ATOM 0 H ASN B 84 -9.642 -2.173 5.424 1.00 0.74 H new ATOM 0 HA ASN B 84 -11.067 -4.576 5.734 1.00 0.94 H new ATOM 0 HB2 ASN B 84 -9.954 -3.100 7.496 1.00 1.03 H new ATOM 0 HB3 ASN B 84 -11.324 -2.015 7.359 1.00 1.03 H new ATOM 0 HD21 ASN B 84 -11.734 -4.526 10.202 1.00 1.79 H new ATOM 0 HD22 ASN B 84 -10.390 -3.497 9.694 1.00 1.79 H new ATOM 2121 N SER B 85 -12.855 -1.941 4.926 1.00 0.87 N ATOM 2122 CA SER B 85 -14.165 -1.491 4.481 1.00 0.93 C ATOM 2123 C SER B 85 -14.456 -1.958 3.053 1.00 0.91 C ATOM 2124 O SER B 85 -15.609 -2.014 2.629 1.00 1.01 O ATOM 2125 CB SER B 85 -14.240 0.033 4.562 1.00 0.97 C ATOM 2126 OG SER B 85 -13.910 0.486 5.866 1.00 1.50 O ATOM 0 H SER B 85 -12.129 -1.225 4.885 1.00 0.87 H new ATOM 0 HA SER B 85 -14.919 -1.928 5.136 1.00 0.93 H new ATOM 0 HB2 SER B 85 -13.558 0.474 3.836 1.00 0.97 H new ATOM 0 HB3 SER B 85 -15.244 0.367 4.300 1.00 0.97 H new ATOM 0 HG SER B 85 -12.944 0.400 6.008 1.00 1.50 H new ATOM 2132 N ALA B 86 -13.405 -2.303 2.321 1.00 0.88 N ATOM 2133 CA ALA B 86 -13.541 -2.706 0.929 1.00 0.95 C ATOM 2134 C ALA B 86 -13.286 -4.199 0.755 1.00 1.14 C ATOM 2135 O ALA B 86 -12.469 -4.609 -0.070 1.00 1.70 O ATOM 2136 CB ALA B 86 -12.590 -1.900 0.058 1.00 1.09 C ATOM 0 H ALA B 86 -12.447 -2.312 2.670 1.00 0.88 H new ATOM 0 HA ALA B 86 -14.566 -2.507 0.617 1.00 0.95 H new ATOM 0 HB1 ALA B 86 -12.699 -2.209 -0.982 1.00 1.09 H new ATOM 0 HB2 ALA B 86 -12.824 -0.839 0.148 1.00 1.09 H new ATOM 0 HB3 ALA B 86 -11.564 -2.074 0.382 1.00 1.09 H new