USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1195 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 GLN : amide:sc= -2.74! K(o=-3.6!,f=1.2) USER MOD Set 1.2: A 152 ASN : amide:sc= -0.841! C(o=-3.6!,f=-5.4!) USER MOD Set 2.1: A 30 CYS SG : rot -120:sc= -1.51 USER MOD Set 2.2: A 70 HIS : no HD1:sc= 0.0819 K(o=-1.4,f=-2.5) USER MOD Set 3.1: A 44 TYR OH : rot 180:sc= 0.265 USER MOD Set 3.2: A 93 THR OG1 : rot -56:sc= 1.27 USER MOD Set 3.3: A 115 ASN : amide:sc= -0.477 K(o=1.1,f=-3.9!) USER MOD Set 4.1: A 8 ASN : amide:sc= 0.519 K(o=0.51,f=-0.067) USER MOD Set 4.2: A 27 THR OG1 : rot -170:sc=-0.00877 USER MOD Single : A 3 LYS NZ :NH3+ -160:sc= 2.12 (180deg=1.37) USER MOD Single : A 5 GLN : amide:sc= -5.37! C(o=-5.4!,f=-3.2!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0.387 K(o=0.39,f=-4.5!) USER MOD Single : A 16 SER OG : rot 180:sc= -0.048 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.598 X(o=-0.6,f=-0.11) USER MOD Single : A 23 GLN : amide:sc= -1.87 K(o=-1.9,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -171:sc= 1.14 (180deg=1.11) USER MOD Single : A 47 SER OG : rot 9:sc= 0.707 USER MOD Single : A 50 SER OG : rot 180:sc= -0.031 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -2.1 K(o=-2.1,f=-6.6!) USER MOD Single : A 59 SER OG : rot 43:sc= 0.0629 USER MOD Single : A 71 MET CE :methyl 161:sc= -0.231 (180deg=-0.987) USER MOD Single : A 75 GLN : amide:sc= -0.951 K(o=-0.95,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.129 K(o=-0.13,f=-3.5!) USER MOD Single : A 98 THR OG1 : rot 180:sc=-0.000944 USER MOD Single : A 99 CYS SG : rot -103:sc= 0.321 USER MOD Single : A 100 THR OG1 : rot 143:sc= 1.29 USER MOD Single : A 101 TYR OH : rot -168:sc= 0.683 USER MOD Single : A 111 TYR OH : rot -112:sc= 0.0172 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -1.12! K(o=-1.1!,f=-0.43) USER MOD Single : A 117 TYR OH : rot 180:sc= -1.17 USER MOD Single : A 118 THR OG1 : rot 95:sc= 1.1 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0.584 K(o=0.58,f=-0.57) USER MOD Single : A 129 LYS NZ :NH3+ -168:sc= 1.04 (180deg=0.671) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 GLN : amide:sc= -3.31! K(o=-3.3!,f=-1.7) USER MOD Single : A 138 ASN : amide:sc= -0.87 K(o=-0.87,f=-3.4!) USER MOD Single : A 142 SER OG : rot 180:sc= 0.00845 USER MOD Single : A 143 ASN : amide:sc= -0.155 K(o=-0.15,f=-2.5!) USER MOD Single : A 147 THR OG1 : rot -110:sc= 0.881 USER MOD Single : A 150 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 156 ASN : amide:sc= -3.57! K(o=-3.6!,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -20.485 0.094 7.332 1.00 0.91 N ATOM 19 CA ALA A 2 -19.484 -0.167 6.313 1.00 0.66 C ATOM 20 C ALA A 2 -20.105 -0.911 5.140 1.00 0.57 C ATOM 21 O ALA A 2 -20.867 -1.854 5.336 1.00 0.68 O ATOM 22 CB ALA A 2 -18.319 -0.950 6.895 1.00 1.48 C ATOM 0 HA ALA A 2 -19.101 0.787 5.950 1.00 0.66 H new ATOM 0 HB1 ALA A 2 -17.580 -1.136 6.116 1.00 1.48 H new ATOM 0 HB2 ALA A 2 -17.861 -0.376 7.700 1.00 1.48 H new ATOM 0 HB3 ALA A 2 -18.679 -1.901 7.287 1.00 1.48 H new ATOM 28 N LYS A 3 -19.795 -0.489 3.927 1.00 0.46 N ATOM 29 CA LYS A 3 -20.278 -1.191 2.745 1.00 0.45 C ATOM 30 C LYS A 3 -19.211 -2.158 2.255 1.00 0.35 C ATOM 31 O LYS A 3 -19.513 -3.177 1.645 1.00 0.36 O ATOM 32 CB LYS A 3 -20.632 -0.200 1.644 1.00 0.54 C ATOM 33 CG LYS A 3 -21.865 -0.578 0.853 1.00 0.82 C ATOM 34 CD LYS A 3 -22.937 0.498 0.943 1.00 0.81 C ATOM 35 CE LYS A 3 -23.275 0.847 2.382 1.00 0.91 C ATOM 36 NZ LYS A 3 -24.626 1.454 2.506 1.00 0.98 N ATOM 0 H LYS A 3 -19.217 0.328 3.732 1.00 0.46 H new ATOM 0 HA LYS A 3 -21.177 -1.749 3.008 1.00 0.45 H new ATOM 0 HB2 LYS A 3 -20.785 0.783 2.089 1.00 0.54 H new ATOM 0 HB3 LYS A 3 -19.787 -0.113 0.961 1.00 0.54 H new ATOM 0 HG2 LYS A 3 -21.594 -0.737 -0.191 1.00 0.82 H new ATOM 0 HG3 LYS A 3 -22.263 -1.522 1.226 1.00 0.82 H new ATOM 0 HD2 LYS A 3 -22.596 1.394 0.423 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -23.837 0.156 0.432 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -23.225 -0.053 2.995 1.00 0.91 H new ATOM 0 HE3 LYS A 3 -22.529 1.540 2.772 1.00 0.91 H new ATOM 0 HZ1 LYS A 3 -24.691 1.977 3.403 1.00 0.98 H new ATOM 0 HZ2 LYS A 3 -24.788 2.106 1.712 1.00 0.98 H new ATOM 0 HZ3 LYS A 3 -25.346 0.704 2.490 1.00 0.98 H new ATOM 50 N VAL A 4 -17.964 -1.814 2.540 1.00 0.32 N ATOM 51 CA VAL A 4 -16.818 -2.655 2.232 1.00 0.29 C ATOM 52 C VAL A 4 -15.887 -2.678 3.431 1.00 0.33 C ATOM 53 O VAL A 4 -15.462 -1.630 3.921 1.00 0.45 O ATOM 54 CB VAL A 4 -16.044 -2.166 0.976 1.00 0.28 C ATOM 55 CG1 VAL A 4 -14.580 -2.591 1.022 1.00 0.31 C ATOM 56 CG2 VAL A 4 -16.688 -2.704 -0.290 1.00 0.27 C ATOM 0 H VAL A 4 -17.717 -0.935 2.996 1.00 0.32 H new ATOM 0 HA VAL A 4 -17.187 -3.657 2.011 1.00 0.29 H new ATOM 0 HB VAL A 4 -16.088 -1.077 0.971 1.00 0.28 H new ATOM 0 HG11 VAL A 4 -14.069 -2.232 0.129 1.00 0.31 H new ATOM 0 HG12 VAL A 4 -14.105 -2.166 1.907 1.00 0.31 H new ATOM 0 HG13 VAL A 4 -14.518 -3.678 1.064 1.00 0.31 H new ATOM 0 HG21 VAL A 4 -16.133 -2.351 -1.159 1.00 0.27 H new ATOM 0 HG22 VAL A 4 -16.676 -3.794 -0.270 1.00 0.27 H new ATOM 0 HG23 VAL A 4 -17.718 -2.354 -0.351 1.00 0.27 H new ATOM 66 N GLN A 5 -15.604 -3.864 3.923 1.00 0.30 N ATOM 67 CA GLN A 5 -14.690 -4.012 5.033 1.00 0.34 C ATOM 68 C GLN A 5 -13.674 -5.095 4.724 1.00 0.31 C ATOM 69 O GLN A 5 -14.029 -6.261 4.551 1.00 0.32 O ATOM 70 CB GLN A 5 -15.456 -4.337 6.318 1.00 0.41 C ATOM 71 CG GLN A 5 -14.593 -4.301 7.574 1.00 0.72 C ATOM 72 CD GLN A 5 -14.192 -2.893 8.003 1.00 0.81 C ATOM 73 OE1 GLN A 5 -13.950 -2.640 9.184 1.00 1.33 O ATOM 74 NE2 GLN A 5 -14.139 -1.959 7.062 1.00 1.39 N ATOM 0 H GLN A 5 -15.993 -4.739 3.572 1.00 0.30 H new ATOM 0 HA GLN A 5 -14.161 -3.071 5.184 1.00 0.34 H new ATOM 0 HB2 GLN A 5 -16.275 -3.627 6.431 1.00 0.41 H new ATOM 0 HB3 GLN A 5 -15.903 -5.327 6.223 1.00 0.41 H new ATOM 0 HG2 GLN A 5 -15.135 -4.779 8.390 1.00 0.72 H new ATOM 0 HG3 GLN A 5 -13.692 -4.889 7.402 1.00 0.72 H new ATOM 0 HE21 GLN A 5 -14.345 -2.200 6.092 1.00 1.39 H new ATOM 0 HE22 GLN A 5 -13.892 -1.000 7.308 1.00 1.39 H new ATOM 83 N VAL A 6 -12.414 -4.705 4.617 1.00 0.32 N ATOM 84 CA VAL A 6 -11.355 -5.664 4.358 1.00 0.34 C ATOM 85 C VAL A 6 -11.180 -6.572 5.569 1.00 0.38 C ATOM 86 O VAL A 6 -11.334 -6.140 6.712 1.00 0.60 O ATOM 87 CB VAL A 6 -10.011 -4.977 4.010 1.00 0.38 C ATOM 88 CG1 VAL A 6 -10.187 -3.991 2.863 1.00 1.12 C ATOM 89 CG2 VAL A 6 -9.410 -4.290 5.226 1.00 1.32 C ATOM 0 H VAL A 6 -12.102 -3.738 4.705 1.00 0.32 H new ATOM 0 HA VAL A 6 -11.649 -6.254 3.490 1.00 0.34 H new ATOM 0 HB VAL A 6 -9.316 -5.753 3.689 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -9.230 -3.521 2.637 1.00 1.12 H new ATOM 0 HG12 VAL A 6 -10.549 -4.520 1.981 1.00 1.12 H new ATOM 0 HG13 VAL A 6 -10.908 -3.225 3.149 1.00 1.12 H new ATOM 0 HG21 VAL A 6 -8.468 -3.818 4.948 1.00 1.32 H new ATOM 0 HG22 VAL A 6 -10.101 -3.532 5.594 1.00 1.32 H new ATOM 0 HG23 VAL A 6 -9.230 -5.027 6.008 1.00 1.32 H new ATOM 99 N ASN A 7 -10.895 -7.832 5.313 1.00 0.32 N ATOM 100 CA ASN A 7 -10.751 -8.812 6.379 1.00 0.36 C ATOM 101 C ASN A 7 -9.397 -9.486 6.293 1.00 0.37 C ATOM 102 O ASN A 7 -8.615 -9.467 7.243 1.00 0.46 O ATOM 103 CB ASN A 7 -11.869 -9.857 6.302 1.00 0.37 C ATOM 104 CG ASN A 7 -13.166 -9.385 6.936 1.00 0.45 C ATOM 105 OD1 ASN A 7 -13.407 -9.609 8.121 1.00 0.96 O ATOM 106 ND2 ASN A 7 -14.014 -8.729 6.158 1.00 0.53 N ATOM 0 H ASN A 7 -10.757 -8.206 4.374 1.00 0.32 H new ATOM 0 HA ASN A 7 -10.825 -8.295 7.336 1.00 0.36 H new ATOM 0 HB2 ASN A 7 -12.052 -10.109 5.257 1.00 0.37 H new ATOM 0 HB3 ASN A 7 -11.540 -10.770 6.797 1.00 0.37 H new ATOM 0 HD21 ASN A 7 -14.899 -8.392 6.538 1.00 0.53 H new ATOM 0 HD22 ASN A 7 -13.782 -8.560 5.179 1.00 0.53 H new ATOM 113 N ASN A 8 -9.120 -10.071 5.141 1.00 0.33 N ATOM 114 CA ASN A 8 -7.846 -10.731 4.913 1.00 0.39 C ATOM 115 C ASN A 8 -6.955 -9.833 4.082 1.00 0.39 C ATOM 116 O ASN A 8 -7.175 -9.669 2.884 1.00 0.48 O ATOM 117 CB ASN A 8 -8.032 -12.081 4.213 1.00 0.44 C ATOM 118 CG ASN A 8 -6.707 -12.750 3.867 1.00 0.70 C ATOM 119 OD1 ASN A 8 -6.142 -13.487 4.672 1.00 1.25 O ATOM 120 ND2 ASN A 8 -6.208 -12.504 2.664 1.00 1.47 N ATOM 0 H ASN A 8 -9.761 -10.103 4.348 1.00 0.33 H new ATOM 0 HA ASN A 8 -7.380 -10.920 5.880 1.00 0.39 H new ATOM 0 HB2 ASN A 8 -8.612 -12.743 4.857 1.00 0.44 H new ATOM 0 HB3 ASN A 8 -8.611 -11.936 3.301 1.00 0.44 H new ATOM 0 HD21 ASN A 8 -5.327 -12.932 2.380 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -6.705 -11.887 2.022 1.00 1.47 H new ATOM 127 N VAL A 9 -5.982 -9.221 4.716 1.00 0.42 N ATOM 128 CA VAL A 9 -5.022 -8.417 3.996 1.00 0.45 C ATOM 129 C VAL A 9 -3.619 -8.976 4.208 1.00 0.50 C ATOM 130 O VAL A 9 -2.972 -8.746 5.231 1.00 0.60 O ATOM 131 CB VAL A 9 -5.118 -6.922 4.392 1.00 0.48 C ATOM 132 CG1 VAL A 9 -4.989 -6.733 5.896 1.00 0.78 C ATOM 133 CG2 VAL A 9 -4.078 -6.101 3.649 1.00 1.01 C ATOM 0 H VAL A 9 -5.834 -9.264 5.724 1.00 0.42 H new ATOM 0 HA VAL A 9 -5.252 -8.467 2.932 1.00 0.45 H new ATOM 0 HB VAL A 9 -6.106 -6.565 4.102 1.00 0.48 H new ATOM 0 HG11 VAL A 9 -5.061 -5.672 6.137 1.00 0.78 H new ATOM 0 HG12 VAL A 9 -5.789 -7.275 6.401 1.00 0.78 H new ATOM 0 HG13 VAL A 9 -4.025 -7.116 6.229 1.00 0.78 H new ATOM 0 HG21 VAL A 9 -4.163 -5.055 3.942 1.00 1.01 H new ATOM 0 HG22 VAL A 9 -3.081 -6.467 3.896 1.00 1.01 H new ATOM 0 HG23 VAL A 9 -4.242 -6.192 2.575 1.00 1.01 H new ATOM 143 N VAL A 10 -3.169 -9.748 3.240 1.00 0.52 N ATOM 144 CA VAL A 10 -1.896 -10.417 3.335 1.00 0.61 C ATOM 145 C VAL A 10 -0.907 -9.821 2.351 1.00 0.47 C ATOM 146 O VAL A 10 -1.214 -9.646 1.173 1.00 0.48 O ATOM 147 CB VAL A 10 -2.049 -11.927 3.069 1.00 0.81 C ATOM 148 CG1 VAL A 10 -0.696 -12.611 3.040 1.00 1.54 C ATOM 149 CG2 VAL A 10 -2.949 -12.568 4.118 1.00 1.24 C ATOM 0 H VAL A 10 -3.675 -9.926 2.372 1.00 0.52 H new ATOM 0 HA VAL A 10 -1.518 -10.277 4.348 1.00 0.61 H new ATOM 0 HB VAL A 10 -2.514 -12.053 2.091 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -0.831 -13.676 2.851 1.00 1.54 H new ATOM 0 HG12 VAL A 10 -0.085 -12.176 2.249 1.00 1.54 H new ATOM 0 HG13 VAL A 10 -0.198 -12.473 4.000 1.00 1.54 H new ATOM 0 HG21 VAL A 10 -3.045 -13.634 3.913 1.00 1.24 H new ATOM 0 HG22 VAL A 10 -2.513 -12.426 5.107 1.00 1.24 H new ATOM 0 HG23 VAL A 10 -3.934 -12.103 4.086 1.00 1.24 H new ATOM 159 N VAL A 11 0.269 -9.489 2.841 1.00 0.44 N ATOM 160 CA VAL A 11 1.320 -8.986 1.986 1.00 0.39 C ATOM 161 C VAL A 11 2.129 -10.149 1.443 1.00 0.41 C ATOM 162 O VAL A 11 2.531 -11.042 2.193 1.00 0.52 O ATOM 163 CB VAL A 11 2.253 -8.019 2.735 1.00 0.48 C ATOM 164 CG1 VAL A 11 3.260 -7.412 1.775 1.00 0.81 C ATOM 165 CG2 VAL A 11 1.453 -6.930 3.430 1.00 0.91 C ATOM 0 H VAL A 11 0.520 -9.559 3.827 1.00 0.44 H new ATOM 0 HA VAL A 11 0.853 -8.435 1.170 1.00 0.39 H new ATOM 0 HB VAL A 11 2.793 -8.581 3.497 1.00 0.48 H new ATOM 0 HG11 VAL A 11 3.914 -6.730 2.318 1.00 0.81 H new ATOM 0 HG12 VAL A 11 3.857 -8.205 1.324 1.00 0.81 H new ATOM 0 HG13 VAL A 11 2.733 -6.865 0.993 1.00 0.81 H new ATOM 0 HG21 VAL A 11 2.132 -6.257 3.953 1.00 0.91 H new ATOM 0 HG22 VAL A 11 0.884 -6.367 2.690 1.00 0.91 H new ATOM 0 HG23 VAL A 11 0.768 -7.383 4.146 1.00 0.91 H new ATOM 175 N LEU A 12 2.334 -10.162 0.142 1.00 0.40 N ATOM 176 CA LEU A 12 3.126 -11.201 -0.477 1.00 0.45 C ATOM 177 C LEU A 12 4.364 -10.588 -1.080 1.00 0.57 C ATOM 178 O LEU A 12 4.467 -9.362 -1.181 1.00 1.18 O ATOM 179 CB LEU A 12 2.351 -11.944 -1.566 1.00 0.50 C ATOM 180 CG LEU A 12 0.894 -12.263 -1.250 1.00 0.55 C ATOM 181 CD1 LEU A 12 0.005 -11.141 -1.750 1.00 0.92 C ATOM 182 CD2 LEU A 12 0.488 -13.590 -1.868 1.00 1.16 C ATOM 0 H LEU A 12 1.963 -9.466 -0.505 1.00 0.40 H new ATOM 0 HA LEU A 12 3.390 -11.923 0.296 1.00 0.45 H new ATOM 0 HB2 LEU A 12 2.382 -11.347 -2.478 1.00 0.50 H new ATOM 0 HB3 LEU A 12 2.869 -12.879 -1.779 1.00 0.50 H new ATOM 0 HG LEU A 12 0.777 -12.350 -0.170 1.00 0.55 H new ATOM 0 HD11 LEU A 12 -1.036 -11.372 -1.522 1.00 0.92 H new ATOM 0 HD12 LEU A 12 0.285 -10.209 -1.259 1.00 0.92 H new ATOM 0 HD13 LEU A 12 0.126 -11.034 -2.828 1.00 0.92 H new ATOM 0 HD21 LEU A 12 -0.555 -13.798 -1.630 1.00 1.16 H new ATOM 0 HD22 LEU A 12 0.611 -13.540 -2.950 1.00 1.16 H new ATOM 0 HD23 LEU A 12 1.117 -14.385 -1.468 1.00 1.16 H new ATOM 194 N ASP A 13 5.297 -11.441 -1.472 1.00 0.84 N ATOM 195 CA ASP A 13 6.527 -10.998 -2.111 1.00 1.01 C ATOM 196 C ASP A 13 7.309 -10.066 -1.191 1.00 0.85 C ATOM 197 O ASP A 13 8.032 -9.172 -1.634 1.00 1.01 O ATOM 198 CB ASP A 13 6.213 -10.350 -3.462 1.00 1.29 C ATOM 199 CG ASP A 13 6.132 -11.383 -4.572 1.00 2.15 C ATOM 200 OD1 ASP A 13 7.119 -12.111 -4.794 1.00 2.57 O ATOM 201 OD2 ASP A 13 5.082 -11.453 -5.249 1.00 2.73 O ATOM 0 H ASP A 13 5.225 -12.452 -1.358 1.00 0.84 H new ATOM 0 HA ASP A 13 7.164 -11.862 -2.300 1.00 1.01 H new ATOM 0 HB2 ASP A 13 5.268 -9.811 -3.397 1.00 1.29 H new ATOM 0 HB3 ASP A 13 6.983 -9.617 -3.702 1.00 1.29 H new ATOM 206 N ASN A 14 7.123 -10.277 0.103 1.00 0.68 N ATOM 207 CA ASN A 14 7.969 -9.678 1.124 1.00 0.63 C ATOM 208 C ASN A 14 8.629 -10.778 1.958 1.00 0.57 C ATOM 209 O ASN A 14 7.958 -11.709 2.408 1.00 0.67 O ATOM 210 CB ASN A 14 7.165 -8.736 2.037 1.00 0.78 C ATOM 211 CG ASN A 14 6.042 -9.434 2.791 1.00 0.96 C ATOM 212 OD1 ASN A 14 5.407 -10.358 2.285 1.00 1.88 O ATOM 213 ND2 ASN A 14 5.795 -9.006 4.020 1.00 1.40 N ATOM 0 H ASN A 14 6.380 -10.869 0.475 1.00 0.68 H new ATOM 0 HA ASN A 14 8.737 -9.086 0.625 1.00 0.63 H new ATOM 0 HB2 ASN A 14 7.842 -8.274 2.755 1.00 0.78 H new ATOM 0 HB3 ASN A 14 6.743 -7.932 1.434 1.00 0.78 H new ATOM 0 HD21 ASN A 14 5.060 -9.445 4.575 1.00 1.40 H new ATOM 0 HD22 ASN A 14 6.339 -8.237 4.411 1.00 1.40 H new ATOM 220 N PRO A 15 9.952 -10.700 2.167 1.00 0.51 N ATOM 221 CA PRO A 15 10.798 -9.641 1.635 1.00 0.45 C ATOM 222 C PRO A 15 11.334 -9.964 0.241 1.00 0.44 C ATOM 223 O PRO A 15 11.774 -11.083 -0.024 1.00 0.48 O ATOM 224 CB PRO A 15 11.953 -9.569 2.643 1.00 0.48 C ATOM 225 CG PRO A 15 11.855 -10.801 3.500 1.00 0.57 C ATOM 226 CD PRO A 15 10.736 -11.649 2.954 1.00 0.60 C ATOM 0 HA PRO A 15 10.250 -8.706 1.520 1.00 0.45 H new ATOM 0 HB2 PRO A 15 12.913 -9.530 2.129 1.00 0.48 H new ATOM 0 HB3 PRO A 15 11.880 -8.667 3.251 1.00 0.48 H new ATOM 0 HG2 PRO A 15 12.795 -11.353 3.486 1.00 0.57 H new ATOM 0 HG3 PRO A 15 11.659 -10.531 4.538 1.00 0.57 H new ATOM 0 HD2 PRO A 15 11.113 -12.467 2.340 1.00 0.60 H new ATOM 0 HD3 PRO A 15 10.144 -12.097 3.752 1.00 0.60 H new ATOM 234 N SER A 16 11.290 -8.978 -0.647 1.00 0.42 N ATOM 235 CA SER A 16 11.770 -9.150 -2.017 1.00 0.47 C ATOM 236 C SER A 16 12.223 -7.801 -2.592 1.00 0.45 C ATOM 237 O SER A 16 11.823 -6.751 -2.087 1.00 0.43 O ATOM 238 CB SER A 16 10.677 -9.778 -2.891 1.00 0.59 C ATOM 239 OG SER A 16 10.281 -11.044 -2.384 1.00 0.77 O ATOM 0 H SER A 16 10.926 -8.047 -0.444 1.00 0.42 H new ATOM 0 HA SER A 16 12.626 -9.824 -2.009 1.00 0.47 H new ATOM 0 HB2 SER A 16 9.814 -9.113 -2.933 1.00 0.59 H new ATOM 0 HB3 SER A 16 11.043 -9.890 -3.912 1.00 0.59 H new ATOM 0 HG SER A 16 9.582 -11.422 -2.958 1.00 0.77 H new ATOM 245 N PRO A 17 13.077 -7.818 -3.638 1.00 0.52 N ATOM 246 CA PRO A 17 13.649 -6.601 -4.244 1.00 0.52 C ATOM 247 C PRO A 17 12.624 -5.505 -4.561 1.00 0.48 C ATOM 248 O PRO A 17 11.446 -5.774 -4.808 1.00 0.58 O ATOM 249 CB PRO A 17 14.287 -7.119 -5.532 1.00 0.60 C ATOM 250 CG PRO A 17 14.655 -8.525 -5.220 1.00 0.83 C ATOM 251 CD PRO A 17 13.576 -9.038 -4.306 1.00 0.63 C ATOM 0 HA PRO A 17 14.339 -6.115 -3.554 1.00 0.52 H new ATOM 0 HB2 PRO A 17 13.591 -7.066 -6.370 1.00 0.60 H new ATOM 0 HB3 PRO A 17 15.162 -6.530 -5.807 1.00 0.60 H new ATOM 0 HG2 PRO A 17 14.715 -9.124 -6.129 1.00 0.83 H new ATOM 0 HG3 PRO A 17 15.632 -8.576 -4.739 1.00 0.83 H new ATOM 0 HD2 PRO A 17 12.786 -9.542 -4.862 1.00 0.63 H new ATOM 0 HD3 PRO A 17 13.968 -9.757 -3.587 1.00 0.63 H new ATOM 259 N PHE A 18 13.107 -4.267 -4.555 1.00 0.41 N ATOM 260 CA PHE A 18 12.286 -3.089 -4.812 1.00 0.37 C ATOM 261 C PHE A 18 11.690 -3.097 -6.223 1.00 0.36 C ATOM 262 O PHE A 18 10.572 -2.627 -6.427 1.00 0.37 O ATOM 263 CB PHE A 18 13.131 -1.827 -4.587 1.00 0.38 C ATOM 264 CG PHE A 18 12.592 -0.594 -5.250 1.00 0.34 C ATOM 265 CD1 PHE A 18 11.603 0.164 -4.651 1.00 0.35 C ATOM 266 CD2 PHE A 18 13.089 -0.194 -6.478 1.00 0.35 C ATOM 267 CE1 PHE A 18 11.115 1.299 -5.270 1.00 0.37 C ATOM 268 CE2 PHE A 18 12.609 0.936 -7.102 1.00 0.36 C ATOM 269 CZ PHE A 18 11.619 1.688 -6.497 1.00 0.37 C ATOM 0 H PHE A 18 14.087 -4.051 -4.370 1.00 0.41 H new ATOM 0 HA PHE A 18 11.446 -3.100 -4.118 1.00 0.37 H new ATOM 0 HB2 PHE A 18 13.210 -1.644 -3.515 1.00 0.38 H new ATOM 0 HB3 PHE A 18 14.141 -2.010 -4.954 1.00 0.38 H new ATOM 0 HD1 PHE A 18 11.208 -0.134 -3.691 1.00 0.35 H new ATOM 0 HD2 PHE A 18 13.864 -0.776 -6.954 1.00 0.35 H new ATOM 0 HE1 PHE A 18 10.340 1.882 -4.795 1.00 0.37 H new ATOM 0 HE2 PHE A 18 13.005 1.234 -8.062 1.00 0.36 H new ATOM 0 HZ PHE A 18 11.241 2.576 -6.981 1.00 0.37 H new ATOM 279 N TYR A 19 12.427 -3.633 -7.190 1.00 0.38 N ATOM 280 CA TYR A 19 11.942 -3.676 -8.571 1.00 0.41 C ATOM 281 C TYR A 19 10.881 -4.755 -8.761 1.00 0.44 C ATOM 282 O TYR A 19 10.376 -4.958 -9.864 1.00 0.52 O ATOM 283 CB TYR A 19 13.093 -3.882 -9.556 1.00 0.45 C ATOM 284 CG TYR A 19 13.908 -2.631 -9.799 1.00 0.46 C ATOM 285 CD1 TYR A 19 13.326 -1.503 -10.365 1.00 0.52 C ATOM 286 CD2 TYR A 19 15.251 -2.572 -9.459 1.00 0.58 C ATOM 287 CE1 TYR A 19 14.063 -0.354 -10.590 1.00 0.56 C ATOM 288 CE2 TYR A 19 15.993 -1.427 -9.681 1.00 0.64 C ATOM 289 CZ TYR A 19 15.396 -0.322 -10.244 1.00 0.57 C ATOM 290 OH TYR A 19 16.138 0.819 -10.462 1.00 0.65 O ATOM 0 H TYR A 19 13.352 -4.040 -7.050 1.00 0.38 H new ATOM 0 HA TYR A 19 11.481 -2.710 -8.778 1.00 0.41 H new ATOM 0 HB2 TYR A 19 13.749 -4.666 -9.178 1.00 0.45 H new ATOM 0 HB3 TYR A 19 12.690 -4.234 -10.506 1.00 0.45 H new ATOM 0 HD1 TYR A 19 12.280 -1.524 -10.634 1.00 0.52 H new ATOM 0 HD2 TYR A 19 15.725 -3.434 -9.014 1.00 0.58 H new ATOM 0 HE1 TYR A 19 13.596 0.513 -11.034 1.00 0.56 H new ATOM 0 HE2 TYR A 19 17.039 -1.400 -9.413 1.00 0.64 H new ATOM 0 HH TYR A 19 17.059 0.673 -10.160 1.00 0.65 H new ATOM 300 N ASN A 20 10.545 -5.439 -7.681 1.00 0.44 N ATOM 301 CA ASN A 20 9.462 -6.405 -7.690 1.00 0.48 C ATOM 302 C ASN A 20 8.180 -5.705 -7.256 1.00 0.42 C ATOM 303 O ASN A 20 8.196 -4.918 -6.315 1.00 0.52 O ATOM 304 CB ASN A 20 9.822 -7.587 -6.775 1.00 0.61 C ATOM 305 CG ASN A 20 8.675 -8.074 -5.910 1.00 1.03 C ATOM 306 OD1 ASN A 20 7.855 -8.883 -6.342 1.00 2.07 O ATOM 307 ND2 ASN A 20 8.640 -7.618 -4.663 1.00 0.69 N ATOM 0 H ASN A 20 11.012 -5.341 -6.779 1.00 0.44 H new ATOM 0 HA ASN A 20 9.305 -6.807 -8.691 1.00 0.48 H new ATOM 0 HB2 ASN A 20 10.175 -8.414 -7.391 1.00 0.61 H new ATOM 0 HB3 ASN A 20 10.650 -7.294 -6.130 1.00 0.61 H new ATOM 0 HD21 ASN A 20 7.913 -7.938 -4.023 1.00 0.69 H new ATOM 0 HD22 ASN A 20 9.340 -6.947 -4.345 1.00 0.69 H new ATOM 314 N PRO A 21 7.065 -5.938 -7.956 1.00 0.41 N ATOM 315 CA PRO A 21 5.804 -5.241 -7.679 1.00 0.38 C ATOM 316 C PRO A 21 5.305 -5.453 -6.246 1.00 0.35 C ATOM 317 O PRO A 21 5.516 -6.510 -5.652 1.00 0.42 O ATOM 318 CB PRO A 21 4.819 -5.862 -8.677 1.00 0.44 C ATOM 319 CG PRO A 21 5.669 -6.452 -9.747 1.00 0.62 C ATOM 320 CD PRO A 21 6.937 -6.890 -9.071 1.00 0.57 C ATOM 0 HA PRO A 21 5.919 -4.162 -7.780 1.00 0.38 H new ATOM 0 HB2 PRO A 21 4.202 -6.623 -8.200 1.00 0.44 H new ATOM 0 HB3 PRO A 21 4.142 -5.110 -9.082 1.00 0.44 H new ATOM 0 HG2 PRO A 21 5.169 -7.295 -10.223 1.00 0.62 H new ATOM 0 HG3 PRO A 21 5.876 -5.721 -10.529 1.00 0.62 H new ATOM 0 HD2 PRO A 21 6.871 -7.919 -8.717 1.00 0.57 H new ATOM 0 HD3 PRO A 21 7.792 -6.839 -9.745 1.00 0.57 H new ATOM 328 N PHE A 22 4.671 -4.427 -5.683 1.00 0.33 N ATOM 329 CA PHE A 22 4.024 -4.547 -4.381 1.00 0.34 C ATOM 330 C PHE A 22 2.853 -5.511 -4.481 1.00 0.33 C ATOM 331 O PHE A 22 1.888 -5.266 -5.205 1.00 0.41 O ATOM 332 CB PHE A 22 3.546 -3.187 -3.867 1.00 0.37 C ATOM 333 CG PHE A 22 4.635 -2.346 -3.263 1.00 0.39 C ATOM 334 CD1 PHE A 22 5.412 -1.517 -4.053 1.00 0.49 C ATOM 335 CD2 PHE A 22 4.879 -2.385 -1.897 1.00 0.43 C ATOM 336 CE1 PHE A 22 6.412 -0.743 -3.496 1.00 0.57 C ATOM 337 CE2 PHE A 22 5.878 -1.614 -1.336 1.00 0.53 C ATOM 338 CZ PHE A 22 6.644 -0.793 -2.137 1.00 0.58 C ATOM 0 H PHE A 22 4.592 -3.504 -6.109 1.00 0.33 H new ATOM 0 HA PHE A 22 4.755 -4.932 -3.670 1.00 0.34 H new ATOM 0 HB2 PHE A 22 3.091 -2.638 -4.691 1.00 0.37 H new ATOM 0 HB3 PHE A 22 2.767 -3.345 -3.121 1.00 0.37 H new ATOM 0 HD1 PHE A 22 5.235 -1.474 -5.117 1.00 0.49 H new ATOM 0 HD2 PHE A 22 4.281 -3.026 -1.266 1.00 0.43 H new ATOM 0 HE1 PHE A 22 7.011 -0.100 -4.124 1.00 0.57 H new ATOM 0 HE2 PHE A 22 6.059 -1.654 -0.272 1.00 0.53 H new ATOM 0 HZ PHE A 22 7.426 -0.189 -1.700 1.00 0.58 H new ATOM 348 N GLN A 23 2.963 -6.612 -3.764 1.00 0.31 N ATOM 349 CA GLN A 23 2.003 -7.693 -3.855 1.00 0.34 C ATOM 350 C GLN A 23 1.075 -7.699 -2.640 1.00 0.33 C ATOM 351 O GLN A 23 1.500 -8.012 -1.527 1.00 0.38 O ATOM 352 CB GLN A 23 2.765 -9.011 -3.938 1.00 0.45 C ATOM 353 CG GLN A 23 2.005 -10.124 -4.623 1.00 0.97 C ATOM 354 CD GLN A 23 2.161 -10.106 -6.132 1.00 0.90 C ATOM 355 OE1 GLN A 23 2.085 -11.146 -6.783 1.00 1.41 O ATOM 356 NE2 GLN A 23 2.396 -8.935 -6.700 1.00 1.13 N ATOM 0 H GLN A 23 3.720 -6.782 -3.102 1.00 0.31 H new ATOM 0 HA GLN A 23 1.388 -7.558 -4.745 1.00 0.34 H new ATOM 0 HB2 GLN A 23 3.701 -8.844 -4.471 1.00 0.45 H new ATOM 0 HB3 GLN A 23 3.026 -9.331 -2.929 1.00 0.45 H new ATOM 0 HG2 GLN A 23 2.352 -11.083 -4.239 1.00 0.97 H new ATOM 0 HG3 GLN A 23 0.948 -10.043 -4.371 1.00 0.97 H new ATOM 0 HE21 GLN A 23 2.452 -8.093 -6.128 1.00 1.13 H new ATOM 0 HE22 GLN A 23 2.521 -8.874 -7.711 1.00 1.13 H new ATOM 365 N PHE A 24 -0.184 -7.347 -2.854 1.00 0.31 N ATOM 366 CA PHE A 24 -1.158 -7.315 -1.770 1.00 0.33 C ATOM 367 C PHE A 24 -2.350 -8.221 -2.061 1.00 0.36 C ATOM 368 O PHE A 24 -3.045 -8.054 -3.063 1.00 0.50 O ATOM 369 CB PHE A 24 -1.649 -5.886 -1.526 1.00 0.31 C ATOM 370 CG PHE A 24 -0.632 -4.991 -0.875 1.00 0.29 C ATOM 371 CD1 PHE A 24 -0.502 -4.944 0.504 1.00 0.31 C ATOM 372 CD2 PHE A 24 0.207 -4.209 -1.650 1.00 0.32 C ATOM 373 CE1 PHE A 24 0.443 -4.129 1.098 1.00 0.31 C ATOM 374 CE2 PHE A 24 1.152 -3.391 -1.063 1.00 0.32 C ATOM 375 CZ PHE A 24 1.224 -3.318 0.342 1.00 0.30 C ATOM 0 H PHE A 24 -0.556 -7.080 -3.765 1.00 0.31 H new ATOM 0 HA PHE A 24 -0.656 -7.682 -0.875 1.00 0.33 H new ATOM 0 HB2 PHE A 24 -1.946 -5.448 -2.479 1.00 0.31 H new ATOM 0 HB3 PHE A 24 -2.540 -5.921 -0.899 1.00 0.31 H new ATOM 0 HD1 PHE A 24 -1.147 -5.551 1.122 1.00 0.31 H new ATOM 0 HD2 PHE A 24 0.122 -4.239 -2.726 1.00 0.32 H new ATOM 0 HE1 PHE A 24 0.560 -4.138 2.172 1.00 0.31 H new ATOM 0 HE2 PHE A 24 1.829 -2.813 -1.675 1.00 0.32 H new ATOM 0 HZ PHE A 24 1.898 -2.619 0.815 1.00 0.30 H new ATOM 385 N GLU A 25 -2.582 -9.175 -1.174 1.00 0.31 N ATOM 386 CA GLU A 25 -3.731 -10.057 -1.269 1.00 0.34 C ATOM 387 C GLU A 25 -4.878 -9.443 -0.487 1.00 0.32 C ATOM 388 O GLU A 25 -4.957 -9.569 0.737 1.00 0.35 O ATOM 389 CB GLU A 25 -3.394 -11.448 -0.726 1.00 0.43 C ATOM 390 CG GLU A 25 -4.549 -12.430 -0.802 1.00 0.97 C ATOM 391 CD GLU A 25 -4.198 -13.782 -0.216 1.00 1.43 C ATOM 392 OE1 GLU A 25 -4.287 -13.941 1.019 1.00 1.72 O ATOM 393 OE2 GLU A 25 -3.845 -14.697 -0.991 1.00 1.98 O ATOM 0 H GLU A 25 -1.981 -9.358 -0.371 1.00 0.31 H new ATOM 0 HA GLU A 25 -4.017 -10.173 -2.314 1.00 0.34 H new ATOM 0 HB2 GLU A 25 -2.549 -11.851 -1.284 1.00 0.43 H new ATOM 0 HB3 GLU A 25 -3.075 -11.355 0.312 1.00 0.43 H new ATOM 0 HG2 GLU A 25 -5.407 -12.019 -0.271 1.00 0.97 H new ATOM 0 HG3 GLU A 25 -4.848 -12.555 -1.843 1.00 0.97 H new ATOM 400 N ILE A 26 -5.737 -8.739 -1.195 1.00 0.30 N ATOM 401 CA ILE A 26 -6.791 -7.974 -0.566 1.00 0.30 C ATOM 402 C ILE A 26 -8.120 -8.717 -0.610 1.00 0.29 C ATOM 403 O ILE A 26 -8.744 -8.851 -1.663 1.00 0.32 O ATOM 404 CB ILE A 26 -6.947 -6.601 -1.240 1.00 0.30 C ATOM 405 CG1 ILE A 26 -5.637 -5.813 -1.147 1.00 0.30 C ATOM 406 CG2 ILE A 26 -8.090 -5.820 -0.607 1.00 0.36 C ATOM 407 CD1 ILE A 26 -5.651 -4.521 -1.934 1.00 0.29 C ATOM 0 H ILE A 26 -5.724 -8.682 -2.213 1.00 0.30 H new ATOM 0 HA ILE A 26 -6.508 -7.831 0.477 1.00 0.30 H new ATOM 0 HB ILE A 26 -7.184 -6.756 -2.293 1.00 0.30 H new ATOM 0 HG12 ILE A 26 -5.431 -5.589 -0.100 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -4.820 -6.439 -1.506 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -8.184 -4.851 -1.098 1.00 0.36 H new ATOM 0 HG22 ILE A 26 -9.020 -6.377 -0.723 1.00 0.36 H new ATOM 0 HG23 ILE A 26 -7.886 -5.671 0.453 1.00 0.36 H new ATOM 0 HD11 ILE A 26 -4.691 -4.016 -1.822 1.00 0.29 H new ATOM 0 HD12 ILE A 26 -5.826 -4.739 -2.988 1.00 0.29 H new ATOM 0 HD13 ILE A 26 -6.446 -3.876 -1.560 1.00 0.29 H new ATOM 419 N THR A 27 -8.530 -9.224 0.537 1.00 0.31 N ATOM 420 CA THR A 27 -9.838 -9.825 0.680 1.00 0.30 C ATOM 421 C THR A 27 -10.752 -8.879 1.451 1.00 0.27 C ATOM 422 O THR A 27 -10.614 -8.712 2.669 1.00 0.29 O ATOM 423 CB THR A 27 -9.745 -11.169 1.421 1.00 0.36 C ATOM 424 OG1 THR A 27 -8.682 -11.954 0.865 1.00 0.46 O ATOM 425 CG2 THR A 27 -11.053 -11.936 1.322 1.00 0.34 C ATOM 0 H THR A 27 -7.969 -9.230 1.389 1.00 0.31 H new ATOM 0 HA THR A 27 -10.247 -10.006 -0.314 1.00 0.30 H new ATOM 0 HB THR A 27 -9.543 -10.968 2.473 1.00 0.36 H new ATOM 0 HG1 THR A 27 -8.724 -12.864 1.226 1.00 0.46 H new ATOM 0 HG21 THR A 27 -10.961 -12.883 1.854 1.00 0.34 H new ATOM 0 HG22 THR A 27 -11.855 -11.347 1.766 1.00 0.34 H new ATOM 0 HG23 THR A 27 -11.283 -12.130 0.274 1.00 0.34 H new ATOM 433 N PHE A 28 -11.676 -8.256 0.736 1.00 0.23 N ATOM 434 CA PHE A 28 -12.584 -7.301 1.328 1.00 0.22 C ATOM 435 C PHE A 28 -14.007 -7.809 1.210 1.00 0.21 C ATOM 436 O PHE A 28 -14.407 -8.340 0.176 1.00 0.20 O ATOM 437 CB PHE A 28 -12.442 -5.933 0.653 1.00 0.21 C ATOM 438 CG PHE A 28 -12.842 -5.915 -0.797 1.00 0.20 C ATOM 439 CD1 PHE A 28 -11.986 -6.388 -1.780 1.00 0.23 C ATOM 440 CD2 PHE A 28 -14.078 -5.421 -1.175 1.00 0.22 C ATOM 441 CE1 PHE A 28 -12.358 -6.364 -3.111 1.00 0.26 C ATOM 442 CE2 PHE A 28 -14.453 -5.394 -2.501 1.00 0.26 C ATOM 443 CZ PHE A 28 -13.593 -5.866 -3.470 1.00 0.28 C ATOM 0 H PHE A 28 -11.813 -8.401 -0.264 1.00 0.23 H new ATOM 0 HA PHE A 28 -12.337 -7.184 2.383 1.00 0.22 H new ATOM 0 HB2 PHE A 28 -13.050 -5.208 1.195 1.00 0.21 H new ATOM 0 HB3 PHE A 28 -11.406 -5.605 0.736 1.00 0.21 H new ATOM 0 HD1 PHE A 28 -11.018 -6.779 -1.503 1.00 0.23 H new ATOM 0 HD2 PHE A 28 -14.758 -5.052 -0.421 1.00 0.22 H new ATOM 0 HE1 PHE A 28 -11.683 -6.734 -3.868 1.00 0.26 H new ATOM 0 HE2 PHE A 28 -15.420 -5.003 -2.781 1.00 0.26 H new ATOM 0 HZ PHE A 28 -13.886 -5.846 -4.509 1.00 0.28 H new ATOM 453 N GLU A 29 -14.761 -7.664 2.271 1.00 0.22 N ATOM 454 CA GLU A 29 -16.124 -8.139 2.289 1.00 0.23 C ATOM 455 C GLU A 29 -17.088 -6.975 2.189 1.00 0.25 C ATOM 456 O GLU A 29 -17.097 -6.082 3.039 1.00 0.29 O ATOM 457 CB GLU A 29 -16.378 -8.948 3.558 1.00 0.26 C ATOM 458 CG GLU A 29 -17.806 -9.434 3.708 1.00 0.33 C ATOM 459 CD GLU A 29 -17.979 -10.322 4.918 1.00 0.41 C ATOM 460 OE1 GLU A 29 -18.256 -9.798 6.011 1.00 0.77 O ATOM 461 OE2 GLU A 29 -17.825 -11.553 4.777 1.00 0.67 O ATOM 0 H GLU A 29 -14.454 -7.220 3.136 1.00 0.22 H new ATOM 0 HA GLU A 29 -16.286 -8.788 1.428 1.00 0.23 H new ATOM 0 HB2 GLU A 29 -15.710 -9.809 3.567 1.00 0.26 H new ATOM 0 HB3 GLU A 29 -16.121 -8.337 4.423 1.00 0.26 H new ATOM 0 HG2 GLU A 29 -18.474 -8.576 3.790 1.00 0.33 H new ATOM 0 HG3 GLU A 29 -18.098 -9.982 2.812 1.00 0.33 H new ATOM 468 N CYS A 30 -17.866 -6.970 1.125 1.00 0.24 N ATOM 469 CA CYS A 30 -18.908 -5.983 0.964 1.00 0.28 C ATOM 470 C CYS A 30 -20.093 -6.365 1.839 1.00 0.33 C ATOM 471 O CYS A 30 -20.756 -7.376 1.597 1.00 0.35 O ATOM 472 CB CYS A 30 -19.329 -5.880 -0.501 1.00 0.29 C ATOM 473 SG CYS A 30 -17.951 -5.647 -1.647 1.00 0.51 S ATOM 0 H CYS A 30 -17.794 -7.640 0.360 1.00 0.24 H new ATOM 0 HA CYS A 30 -18.533 -5.007 1.271 1.00 0.28 H new ATOM 0 HB2 CYS A 30 -19.869 -6.785 -0.778 1.00 0.29 H new ATOM 0 HB3 CYS A 30 -20.024 -5.048 -0.611 1.00 0.29 H new ATOM 0 HG CYS A 30 -18.108 -4.530 -2.293 1.00 0.51 H new ATOM 479 N ILE A 31 -20.325 -5.574 2.874 1.00 0.39 N ATOM 480 CA ILE A 31 -21.394 -5.836 3.825 1.00 0.45 C ATOM 481 C ILE A 31 -22.730 -5.438 3.206 1.00 0.48 C ATOM 482 O ILE A 31 -23.789 -5.957 3.561 1.00 0.53 O ATOM 483 CB ILE A 31 -21.169 -5.051 5.136 1.00 0.49 C ATOM 484 CG1 ILE A 31 -19.693 -5.108 5.544 1.00 0.46 C ATOM 485 CG2 ILE A 31 -22.046 -5.606 6.249 1.00 0.57 C ATOM 486 CD1 ILE A 31 -19.380 -4.348 6.815 1.00 0.52 C ATOM 0 H ILE A 31 -19.781 -4.736 3.078 1.00 0.39 H new ATOM 0 HA ILE A 31 -21.399 -6.900 4.061 1.00 0.45 H new ATOM 0 HB ILE A 31 -21.445 -4.010 4.966 1.00 0.49 H new ATOM 0 HG12 ILE A 31 -19.402 -6.150 5.674 1.00 0.46 H new ATOM 0 HG13 ILE A 31 -19.086 -4.706 4.733 1.00 0.46 H new ATOM 0 HG21 ILE A 31 -21.873 -5.040 7.165 1.00 0.57 H new ATOM 0 HG22 ILE A 31 -23.094 -5.522 5.962 1.00 0.57 H new ATOM 0 HG23 ILE A 31 -21.799 -6.654 6.418 1.00 0.57 H new ATOM 0 HD11 ILE A 31 -18.317 -4.435 7.038 1.00 0.52 H new ATOM 0 HD12 ILE A 31 -19.638 -3.297 6.684 1.00 0.52 H new ATOM 0 HD13 ILE A 31 -19.959 -4.764 7.640 1.00 0.52 H new ATOM 498 N GLU A 32 -22.644 -4.518 2.258 1.00 0.49 N ATOM 499 CA GLU A 32 -23.791 -4.045 1.508 1.00 0.53 C ATOM 500 C GLU A 32 -23.390 -3.905 0.047 1.00 0.52 C ATOM 501 O GLU A 32 -22.253 -4.209 -0.315 1.00 0.51 O ATOM 502 CB GLU A 32 -24.279 -2.696 2.040 1.00 0.60 C ATOM 503 CG GLU A 32 -24.893 -2.742 3.430 1.00 0.84 C ATOM 504 CD GLU A 32 -25.308 -1.366 3.914 1.00 1.25 C ATOM 505 OE1 GLU A 32 -26.173 -0.734 3.269 1.00 1.53 O ATOM 506 OE2 GLU A 32 -24.797 -0.918 4.964 1.00 1.83 O ATOM 0 H GLU A 32 -21.766 -4.076 1.987 1.00 0.49 H new ATOM 0 HA GLU A 32 -24.605 -4.762 1.613 1.00 0.53 H new ATOM 0 HB2 GLU A 32 -23.439 -2.001 2.052 1.00 0.60 H new ATOM 0 HB3 GLU A 32 -25.016 -2.293 1.346 1.00 0.60 H new ATOM 0 HG2 GLU A 32 -25.762 -3.400 3.421 1.00 0.84 H new ATOM 0 HG3 GLU A 32 -24.175 -3.171 4.129 1.00 0.84 H new ATOM 513 N ASP A 33 -24.304 -3.435 -0.785 1.00 0.62 N ATOM 514 CA ASP A 33 -24.017 -3.263 -2.204 1.00 0.65 C ATOM 515 C ASP A 33 -23.508 -1.853 -2.473 1.00 0.65 C ATOM 516 O ASP A 33 -24.048 -0.882 -1.942 1.00 0.79 O ATOM 517 CB ASP A 33 -25.267 -3.538 -3.037 1.00 0.76 C ATOM 518 CG ASP A 33 -24.978 -3.565 -4.522 1.00 1.44 C ATOM 519 OD1 ASP A 33 -24.215 -4.446 -4.963 1.00 2.18 O ATOM 520 OD2 ASP A 33 -25.531 -2.724 -5.262 1.00 2.01 O ATOM 0 H ASP A 33 -25.248 -3.166 -0.507 1.00 0.62 H new ATOM 0 HA ASP A 33 -23.243 -3.976 -2.489 1.00 0.65 H new ATOM 0 HB2 ASP A 33 -25.697 -4.493 -2.736 1.00 0.76 H new ATOM 0 HB3 ASP A 33 -26.014 -2.772 -2.829 1.00 0.76 H new ATOM 525 N LEU A 34 -22.469 -1.739 -3.289 1.00 0.57 N ATOM 526 CA LEU A 34 -21.888 -0.441 -3.591 1.00 0.57 C ATOM 527 C LEU A 34 -22.648 0.218 -4.733 1.00 0.64 C ATOM 528 O LEU A 34 -22.901 -0.404 -5.766 1.00 0.71 O ATOM 529 CB LEU A 34 -20.400 -0.570 -3.949 1.00 0.55 C ATOM 530 CG LEU A 34 -19.434 -0.767 -2.769 1.00 0.81 C ATOM 531 CD1 LEU A 34 -19.491 0.420 -1.825 1.00 1.52 C ATOM 532 CD2 LEU A 34 -19.728 -2.054 -2.015 1.00 1.41 C ATOM 0 H LEU A 34 -22.014 -2.526 -3.751 1.00 0.57 H new ATOM 0 HA LEU A 34 -21.968 0.183 -2.701 1.00 0.57 H new ATOM 0 HB2 LEU A 34 -20.283 -1.412 -4.632 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -20.099 0.326 -4.493 1.00 0.55 H new ATOM 0 HG LEU A 34 -18.427 -0.842 -3.180 1.00 0.81 H new ATOM 0 HD11 LEU A 34 -18.800 0.260 -0.997 1.00 1.52 H new ATOM 0 HD12 LEU A 34 -19.210 1.326 -2.362 1.00 1.52 H new ATOM 0 HD13 LEU A 34 -20.504 0.528 -1.437 1.00 1.52 H new ATOM 0 HD21 LEU A 34 -19.026 -2.160 -1.188 1.00 1.41 H new ATOM 0 HD22 LEU A 34 -20.745 -2.023 -1.625 1.00 1.41 H new ATOM 0 HD23 LEU A 34 -19.624 -2.903 -2.690 1.00 1.41 H new ATOM 544 N SER A 35 -23.008 1.478 -4.542 1.00 0.75 N ATOM 545 CA SER A 35 -23.768 2.213 -5.541 1.00 0.89 C ATOM 546 C SER A 35 -22.837 2.778 -6.606 1.00 0.75 C ATOM 547 O SER A 35 -23.244 3.026 -7.743 1.00 0.92 O ATOM 548 CB SER A 35 -24.552 3.338 -4.870 1.00 1.14 C ATOM 549 OG SER A 35 -25.376 2.830 -3.832 1.00 1.55 O ATOM 0 H SER A 35 -22.786 2.013 -3.703 1.00 0.75 H new ATOM 0 HA SER A 35 -24.469 1.532 -6.024 1.00 0.89 H new ATOM 0 HB2 SER A 35 -23.861 4.076 -4.463 1.00 1.14 H new ATOM 0 HB3 SER A 35 -25.167 3.850 -5.610 1.00 1.14 H new ATOM 0 HG SER A 35 -25.868 3.567 -3.414 1.00 1.55 H new ATOM 555 N GLU A 36 -21.583 2.965 -6.230 1.00 0.61 N ATOM 556 CA GLU A 36 -20.591 3.511 -7.135 1.00 0.51 C ATOM 557 C GLU A 36 -19.366 2.601 -7.159 1.00 0.44 C ATOM 558 O GLU A 36 -19.344 1.566 -6.486 1.00 0.53 O ATOM 559 CB GLU A 36 -20.215 4.933 -6.698 1.00 0.63 C ATOM 560 CG GLU A 36 -19.693 5.798 -7.833 1.00 1.48 C ATOM 561 CD GLU A 36 -20.679 5.891 -8.978 1.00 2.16 C ATOM 562 OE1 GLU A 36 -20.669 4.998 -9.848 1.00 2.95 O ATOM 563 OE2 GLU A 36 -21.472 6.852 -9.011 1.00 2.46 O ATOM 0 H GLU A 36 -21.229 2.745 -5.299 1.00 0.61 H new ATOM 0 HA GLU A 36 -21.001 3.563 -8.144 1.00 0.51 H new ATOM 0 HB2 GLU A 36 -21.090 5.413 -6.259 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -19.457 4.876 -5.917 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -19.479 6.799 -7.457 1.00 1.48 H new ATOM 0 HG3 GLU A 36 -18.752 5.387 -8.198 1.00 1.48 H new ATOM 570 N ASP A 37 -18.358 2.976 -7.927 1.00 0.37 N ATOM 571 CA ASP A 37 -17.161 2.160 -8.062 1.00 0.36 C ATOM 572 C ASP A 37 -16.220 2.382 -6.882 1.00 0.35 C ATOM 573 O ASP A 37 -16.158 3.475 -6.318 1.00 0.50 O ATOM 574 CB ASP A 37 -16.446 2.467 -9.384 1.00 0.49 C ATOM 575 CG ASP A 37 -15.862 3.865 -9.447 1.00 0.92 C ATOM 576 OD1 ASP A 37 -16.627 4.849 -9.326 1.00 1.30 O ATOM 577 OD2 ASP A 37 -14.637 3.989 -9.640 1.00 1.88 O ATOM 0 H ASP A 37 -18.343 3.841 -8.468 1.00 0.37 H new ATOM 0 HA ASP A 37 -17.462 1.112 -8.067 1.00 0.36 H new ATOM 0 HB2 ASP A 37 -15.646 1.741 -9.532 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -17.150 2.339 -10.206 1.00 0.49 H new ATOM 582 N LEU A 38 -15.513 1.331 -6.496 1.00 0.30 N ATOM 583 CA LEU A 38 -14.588 1.402 -5.374 1.00 0.31 C ATOM 584 C LEU A 38 -13.181 1.683 -5.885 1.00 0.28 C ATOM 585 O LEU A 38 -12.681 0.967 -6.755 1.00 0.29 O ATOM 586 CB LEU A 38 -14.609 0.082 -4.593 1.00 0.39 C ATOM 587 CG LEU A 38 -14.438 0.196 -3.071 1.00 0.42 C ATOM 588 CD1 LEU A 38 -13.095 0.808 -2.708 1.00 1.06 C ATOM 589 CD2 LEU A 38 -15.573 1.010 -2.466 1.00 1.32 C ATOM 0 H LEU A 38 -15.562 0.416 -6.944 1.00 0.30 H new ATOM 0 HA LEU A 38 -14.894 2.209 -4.709 1.00 0.31 H new ATOM 0 HB2 LEU A 38 -15.554 -0.422 -4.795 1.00 0.39 H new ATOM 0 HB3 LEU A 38 -13.817 -0.559 -4.980 1.00 0.39 H new ATOM 0 HG LEU A 38 -14.469 -0.812 -2.657 1.00 0.42 H new ATOM 0 HD11 LEU A 38 -13.007 0.874 -1.624 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -12.293 0.183 -3.100 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -13.021 1.806 -3.140 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -15.435 1.080 -1.387 1.00 1.32 H new ATOM 0 HD22 LEU A 38 -15.573 2.011 -2.898 1.00 1.32 H new ATOM 0 HD23 LEU A 38 -16.524 0.523 -2.679 1.00 1.32 H new ATOM 601 N GLU A 39 -12.556 2.727 -5.355 1.00 0.30 N ATOM 602 CA GLU A 39 -11.207 3.086 -5.755 1.00 0.32 C ATOM 603 C GLU A 39 -10.177 2.533 -4.784 1.00 0.31 C ATOM 604 O GLU A 39 -10.195 2.854 -3.596 1.00 0.43 O ATOM 605 CB GLU A 39 -11.059 4.602 -5.841 1.00 0.42 C ATOM 606 CG GLU A 39 -9.674 5.043 -6.278 1.00 0.50 C ATOM 607 CD GLU A 39 -9.518 6.542 -6.289 1.00 0.68 C ATOM 608 OE1 GLU A 39 -9.944 7.181 -7.272 1.00 0.92 O ATOM 609 OE2 GLU A 39 -8.952 7.089 -5.320 1.00 0.73 O ATOM 0 H GLU A 39 -12.964 3.338 -4.648 1.00 0.30 H new ATOM 0 HA GLU A 39 -11.030 2.648 -6.737 1.00 0.32 H new ATOM 0 HB2 GLU A 39 -11.796 4.993 -6.542 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -11.282 5.038 -4.867 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -8.931 4.609 -5.609 1.00 0.50 H new ATOM 0 HG3 GLU A 39 -9.471 4.653 -7.275 1.00 0.50 H new ATOM 616 N TRP A 40 -9.291 1.698 -5.292 1.00 0.24 N ATOM 617 CA TRP A 40 -8.195 1.168 -4.501 1.00 0.23 C ATOM 618 C TRP A 40 -6.877 1.783 -4.960 1.00 0.24 C ATOM 619 O TRP A 40 -6.412 1.509 -6.062 1.00 0.28 O ATOM 620 CB TRP A 40 -8.131 -0.358 -4.638 1.00 0.24 C ATOM 621 CG TRP A 40 -9.348 -1.063 -4.121 1.00 0.23 C ATOM 622 CD1 TRP A 40 -10.532 -1.256 -4.777 1.00 0.26 C ATOM 623 CD2 TRP A 40 -9.495 -1.682 -2.840 1.00 0.26 C ATOM 624 NE1 TRP A 40 -11.410 -1.946 -3.973 1.00 0.27 N ATOM 625 CE2 TRP A 40 -10.795 -2.218 -2.781 1.00 0.25 C ATOM 626 CE3 TRP A 40 -8.654 -1.831 -1.736 1.00 0.36 C ATOM 627 CZ2 TRP A 40 -11.272 -2.890 -1.660 1.00 0.31 C ATOM 628 CZ3 TRP A 40 -9.128 -2.499 -0.624 1.00 0.43 C ATOM 629 CH2 TRP A 40 -10.426 -3.021 -0.593 1.00 0.40 C ATOM 0 H TRP A 40 -9.309 1.369 -6.257 1.00 0.24 H new ATOM 0 HA TRP A 40 -8.364 1.422 -3.455 1.00 0.23 H new ATOM 0 HB2 TRP A 40 -7.993 -0.614 -5.689 1.00 0.24 H new ATOM 0 HB3 TRP A 40 -7.255 -0.725 -4.103 1.00 0.24 H new ATOM 0 HD1 TRP A 40 -10.747 -0.917 -5.780 1.00 0.26 H new ATOM 0 HE1 TRP A 40 -12.362 -2.211 -4.224 1.00 0.27 H new ATOM 0 HE3 TRP A 40 -7.651 -1.431 -1.751 1.00 0.36 H new ATOM 0 HZ2 TRP A 40 -12.273 -3.293 -1.633 1.00 0.31 H new ATOM 0 HZ3 TRP A 40 -8.486 -2.621 0.236 1.00 0.43 H new ATOM 0 HH2 TRP A 40 -10.767 -3.538 0.292 1.00 0.40 H new ATOM 640 N LYS A 41 -6.286 2.630 -4.130 1.00 0.25 N ATOM 641 CA LYS A 41 -4.999 3.234 -4.453 1.00 0.25 C ATOM 642 C LYS A 41 -3.908 2.700 -3.545 1.00 0.23 C ATOM 643 O LYS A 41 -4.113 2.545 -2.344 1.00 0.27 O ATOM 644 CB LYS A 41 -5.040 4.757 -4.301 1.00 0.37 C ATOM 645 CG LYS A 41 -5.480 5.521 -5.537 1.00 0.63 C ATOM 646 CD LYS A 41 -5.085 6.985 -5.416 1.00 0.65 C ATOM 647 CE LYS A 41 -5.736 7.847 -6.480 1.00 1.03 C ATOM 648 NZ LYS A 41 -6.920 8.575 -5.953 1.00 1.23 N ATOM 0 H LYS A 41 -6.674 2.915 -3.231 1.00 0.25 H new ATOM 0 HA LYS A 41 -4.785 2.976 -5.490 1.00 0.25 H new ATOM 0 HB2 LYS A 41 -5.714 5.006 -3.481 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -4.047 5.104 -4.014 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -5.022 5.085 -6.425 1.00 0.63 H new ATOM 0 HG3 LYS A 41 -6.560 5.437 -5.661 1.00 0.63 H new ATOM 0 HD2 LYS A 41 -5.366 7.355 -4.430 1.00 0.65 H new ATOM 0 HD3 LYS A 41 -4.001 7.074 -5.492 1.00 0.65 H new ATOM 0 HE2 LYS A 41 -5.009 8.564 -6.862 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -6.038 7.221 -7.320 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -7.426 9.031 -6.739 1.00 1.23 H new ATOM 0 HZ2 LYS A 41 -7.555 7.905 -5.475 1.00 1.23 H new ATOM 0 HZ3 LYS A 41 -6.609 9.300 -5.275 1.00 1.23 H new ATOM 662 N ILE A 42 -2.751 2.419 -4.115 1.00 0.22 N ATOM 663 CA ILE A 42 -1.575 2.138 -3.311 1.00 0.24 C ATOM 664 C ILE A 42 -0.638 3.334 -3.363 1.00 0.25 C ATOM 665 O ILE A 42 0.003 3.592 -4.384 1.00 0.31 O ATOM 666 CB ILE A 42 -0.813 0.870 -3.759 1.00 0.29 C ATOM 667 CG1 ILE A 42 -1.710 -0.368 -3.642 1.00 0.33 C ATOM 668 CG2 ILE A 42 0.451 0.695 -2.922 1.00 0.37 C ATOM 669 CD1 ILE A 42 -0.948 -1.677 -3.631 1.00 0.46 C ATOM 0 H ILE A 42 -2.600 2.379 -5.123 1.00 0.22 H new ATOM 0 HA ILE A 42 -1.922 1.953 -2.294 1.00 0.24 H new ATOM 0 HB ILE A 42 -0.528 0.986 -4.805 1.00 0.29 H new ATOM 0 HG12 ILE A 42 -2.299 -0.293 -2.728 1.00 0.33 H new ATOM 0 HG13 ILE A 42 -2.414 -0.375 -4.474 1.00 0.33 H new ATOM 0 HG21 ILE A 42 0.980 -0.201 -3.246 1.00 0.37 H new ATOM 0 HG22 ILE A 42 1.096 1.564 -3.051 1.00 0.37 H new ATOM 0 HG23 ILE A 42 0.181 0.597 -1.871 1.00 0.37 H new ATOM 0 HD11 ILE A 42 -1.650 -2.506 -3.546 1.00 0.46 H new ATOM 0 HD12 ILE A 42 -0.381 -1.776 -4.556 1.00 0.46 H new ATOM 0 HD13 ILE A 42 -0.264 -1.693 -2.783 1.00 0.46 H new ATOM 681 N ILE A 43 -0.597 4.081 -2.277 1.00 0.24 N ATOM 682 CA ILE A 43 0.255 5.249 -2.184 1.00 0.27 C ATOM 683 C ILE A 43 1.495 4.914 -1.369 1.00 0.26 C ATOM 684 O ILE A 43 1.406 4.587 -0.184 1.00 0.30 O ATOM 685 CB ILE A 43 -0.484 6.435 -1.532 1.00 0.31 C ATOM 686 CG1 ILE A 43 -1.773 6.751 -2.301 1.00 0.37 C ATOM 687 CG2 ILE A 43 0.420 7.661 -1.478 1.00 0.39 C ATOM 688 CD1 ILE A 43 -2.639 7.799 -1.636 1.00 0.69 C ATOM 0 H ILE A 43 -1.150 3.897 -1.440 1.00 0.24 H new ATOM 0 HA ILE A 43 0.540 5.540 -3.195 1.00 0.27 H new ATOM 0 HB ILE A 43 -0.750 6.158 -0.512 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -1.513 7.091 -3.304 1.00 0.37 H new ATOM 0 HG13 ILE A 43 -2.351 5.834 -2.415 1.00 0.37 H new ATOM 0 HG21 ILE A 43 -0.117 8.489 -1.015 1.00 0.39 H new ATOM 0 HG22 ILE A 43 1.309 7.432 -0.891 1.00 0.39 H new ATOM 0 HG23 ILE A 43 0.715 7.940 -2.489 1.00 0.39 H new ATOM 0 HD11 ILE A 43 -3.532 7.969 -2.238 1.00 0.69 H new ATOM 0 HD12 ILE A 43 -2.931 7.454 -0.644 1.00 0.69 H new ATOM 0 HD13 ILE A 43 -2.079 8.730 -1.546 1.00 0.69 H new ATOM 700 N TYR A 44 2.644 4.966 -2.011 1.00 0.29 N ATOM 701 CA TYR A 44 3.895 4.693 -1.335 1.00 0.29 C ATOM 702 C TYR A 44 4.540 6.005 -0.915 1.00 0.28 C ATOM 703 O TYR A 44 4.529 6.970 -1.677 1.00 0.33 O ATOM 704 CB TYR A 44 4.823 3.900 -2.259 1.00 0.32 C ATOM 705 CG TYR A 44 6.124 3.461 -1.616 1.00 0.34 C ATOM 706 CD1 TYR A 44 6.154 2.387 -0.736 1.00 0.42 C ATOM 707 CD2 TYR A 44 7.321 4.110 -1.895 1.00 0.38 C ATOM 708 CE1 TYR A 44 7.337 1.972 -0.155 1.00 0.50 C ATOM 709 CE2 TYR A 44 8.511 3.698 -1.321 1.00 0.45 C ATOM 710 CZ TYR A 44 8.512 2.630 -0.450 1.00 0.49 C ATOM 711 OH TYR A 44 9.694 2.212 0.123 1.00 0.59 O ATOM 0 H TYR A 44 2.737 5.195 -3.001 1.00 0.29 H new ATOM 0 HA TYR A 44 3.708 4.095 -0.443 1.00 0.29 H new ATOM 0 HB2 TYR A 44 4.292 3.017 -2.616 1.00 0.32 H new ATOM 0 HB3 TYR A 44 5.052 4.509 -3.133 1.00 0.32 H new ATOM 0 HD1 TYR A 44 5.237 1.867 -0.502 1.00 0.42 H new ATOM 0 HD2 TYR A 44 7.322 4.951 -2.572 1.00 0.38 H new ATOM 0 HE1 TYR A 44 7.341 1.135 0.528 1.00 0.50 H new ATOM 0 HE2 TYR A 44 9.433 4.210 -1.554 1.00 0.45 H new ATOM 0 HH TYR A 44 10.428 2.781 -0.190 1.00 0.59 H new ATOM 721 N VAL A 45 5.059 6.050 0.306 1.00 0.27 N ATOM 722 CA VAL A 45 5.765 7.229 0.785 1.00 0.28 C ATOM 723 C VAL A 45 7.006 7.471 -0.059 1.00 0.30 C ATOM 724 O VAL A 45 7.930 6.662 -0.060 1.00 0.36 O ATOM 725 CB VAL A 45 6.190 7.087 2.265 1.00 0.32 C ATOM 726 CG1 VAL A 45 7.052 8.260 2.704 1.00 0.37 C ATOM 727 CG2 VAL A 45 4.978 6.964 3.168 1.00 0.34 C ATOM 0 H VAL A 45 5.004 5.286 0.979 1.00 0.27 H new ATOM 0 HA VAL A 45 5.078 8.071 0.703 1.00 0.28 H new ATOM 0 HB VAL A 45 6.781 6.175 2.350 1.00 0.32 H new ATOM 0 HG11 VAL A 45 7.335 8.132 3.749 1.00 0.37 H new ATOM 0 HG12 VAL A 45 7.950 8.303 2.087 1.00 0.37 H new ATOM 0 HG13 VAL A 45 6.490 9.187 2.591 1.00 0.37 H new ATOM 0 HG21 VAL A 45 5.304 6.865 4.203 1.00 0.34 H new ATOM 0 HG22 VAL A 45 4.357 7.854 3.066 1.00 0.34 H new ATOM 0 HG23 VAL A 45 4.401 6.084 2.884 1.00 0.34 H new ATOM 737 N GLY A 46 7.011 8.572 -0.785 1.00 0.32 N ATOM 738 CA GLY A 46 8.165 8.917 -1.579 1.00 0.39 C ATOM 739 C GLY A 46 9.337 9.280 -0.704 1.00 0.41 C ATOM 740 O GLY A 46 10.313 8.543 -0.622 1.00 0.47 O ATOM 0 H GLY A 46 6.237 9.234 -0.839 1.00 0.32 H new ATOM 0 HA2 GLY A 46 8.433 8.078 -2.221 1.00 0.39 H new ATOM 0 HA3 GLY A 46 7.923 9.754 -2.234 1.00 0.39 H new ATOM 744 N SER A 47 9.224 10.411 -0.027 1.00 0.43 N ATOM 745 CA SER A 47 10.266 10.867 0.867 1.00 0.48 C ATOM 746 C SER A 47 9.745 10.983 2.292 1.00 0.51 C ATOM 747 O SER A 47 8.626 11.433 2.512 1.00 0.49 O ATOM 748 CB SER A 47 10.796 12.224 0.406 1.00 0.53 C ATOM 749 OG SER A 47 11.259 12.174 -0.931 1.00 1.23 O ATOM 0 H SER A 47 8.415 11.030 -0.083 1.00 0.43 H new ATOM 0 HA SER A 47 11.073 10.135 0.848 1.00 0.48 H new ATOM 0 HB2 SER A 47 10.007 12.972 0.491 1.00 0.53 H new ATOM 0 HB3 SER A 47 11.607 12.540 1.061 1.00 0.53 H new ATOM 0 HG SER A 47 11.007 11.316 -1.333 1.00 1.23 H new ATOM 755 N ALA A 48 10.552 10.559 3.254 1.00 0.62 N ATOM 756 CA ALA A 48 10.248 10.804 4.656 1.00 0.70 C ATOM 757 C ALA A 48 10.502 12.269 4.974 1.00 0.75 C ATOM 758 O ALA A 48 9.891 12.842 5.877 1.00 0.82 O ATOM 759 CB ALA A 48 11.090 9.913 5.555 1.00 0.81 C ATOM 0 H ALA A 48 11.418 10.046 3.090 1.00 0.62 H new ATOM 0 HA ALA A 48 9.200 10.568 4.840 1.00 0.70 H new ATOM 0 HB1 ALA A 48 10.846 10.114 6.598 1.00 0.81 H new ATOM 0 HB2 ALA A 48 10.882 8.867 5.328 1.00 0.81 H new ATOM 0 HB3 ALA A 48 12.147 10.118 5.384 1.00 0.81 H new ATOM 765 N GLU A 49 11.411 12.859 4.201 1.00 0.75 N ATOM 766 CA GLU A 49 11.743 14.269 4.308 1.00 0.83 C ATOM 767 C GLU A 49 10.494 15.105 4.053 1.00 0.82 C ATOM 768 O GLU A 49 10.158 16.013 4.812 1.00 0.93 O ATOM 769 CB GLU A 49 12.817 14.608 3.273 1.00 0.90 C ATOM 770 CG GLU A 49 13.575 15.889 3.557 1.00 1.06 C ATOM 771 CD GLU A 49 14.571 15.731 4.684 1.00 1.48 C ATOM 772 OE1 GLU A 49 15.688 15.233 4.433 1.00 1.96 O ATOM 773 OE2 GLU A 49 14.244 16.101 5.829 1.00 1.99 O ATOM 0 H GLU A 49 11.938 12.366 3.480 1.00 0.75 H new ATOM 0 HA GLU A 49 12.120 14.488 5.307 1.00 0.83 H new ATOM 0 HB2 GLU A 49 13.528 13.783 3.221 1.00 0.90 H new ATOM 0 HB3 GLU A 49 12.348 14.687 2.292 1.00 0.90 H new ATOM 0 HG2 GLU A 49 14.098 16.206 2.655 1.00 1.06 H new ATOM 0 HG3 GLU A 49 12.867 16.679 3.809 1.00 1.06 H new ATOM 780 N SER A 50 9.814 14.775 2.966 1.00 0.74 N ATOM 781 CA SER A 50 8.548 15.387 2.619 1.00 0.79 C ATOM 782 C SER A 50 7.699 14.348 1.896 1.00 0.75 C ATOM 783 O SER A 50 8.015 13.962 0.769 1.00 1.26 O ATOM 784 CB SER A 50 8.782 16.603 1.721 1.00 0.96 C ATOM 785 OG SER A 50 9.796 17.443 2.250 1.00 1.72 O ATOM 0 H SER A 50 10.129 14.071 2.299 1.00 0.74 H new ATOM 0 HA SER A 50 8.034 15.725 3.518 1.00 0.79 H new ATOM 0 HB2 SER A 50 9.065 16.272 0.722 1.00 0.96 H new ATOM 0 HB3 SER A 50 7.855 17.167 1.619 1.00 0.96 H new ATOM 0 HG SER A 50 9.927 18.212 1.656 1.00 1.72 H new ATOM 791 N GLU A 51 6.639 13.870 2.538 1.00 0.78 N ATOM 792 CA GLU A 51 5.853 12.777 1.972 1.00 0.71 C ATOM 793 C GLU A 51 5.010 13.256 0.789 1.00 0.74 C ATOM 794 O GLU A 51 4.310 12.472 0.159 1.00 0.80 O ATOM 795 CB GLU A 51 4.965 12.118 3.032 1.00 0.85 C ATOM 796 CG GLU A 51 3.961 13.056 3.678 1.00 1.46 C ATOM 797 CD GLU A 51 2.959 12.321 4.545 1.00 1.68 C ATOM 798 OE1 GLU A 51 3.376 11.687 5.534 1.00 2.09 O ATOM 799 OE2 GLU A 51 1.746 12.383 4.241 1.00 2.02 O ATOM 0 H GLU A 51 6.306 14.215 3.438 1.00 0.78 H new ATOM 0 HA GLU A 51 6.556 12.028 1.609 1.00 0.71 H new ATOM 0 HB2 GLU A 51 4.427 11.289 2.573 1.00 0.85 H new ATOM 0 HB3 GLU A 51 5.601 11.694 3.809 1.00 0.85 H new ATOM 0 HG2 GLU A 51 4.492 13.791 4.284 1.00 1.46 H new ATOM 0 HG3 GLU A 51 3.430 13.607 2.901 1.00 1.46 H new ATOM 806 N GLU A 52 5.103 14.548 0.486 1.00 0.78 N ATOM 807 CA GLU A 52 4.475 15.118 -0.702 1.00 0.89 C ATOM 808 C GLU A 52 5.120 14.539 -1.962 1.00 0.78 C ATOM 809 O GLU A 52 4.600 14.675 -3.069 1.00 0.85 O ATOM 810 CB GLU A 52 4.611 16.645 -0.685 1.00 1.09 C ATOM 811 CG GLU A 52 3.866 17.353 -1.806 1.00 1.70 C ATOM 812 CD GLU A 52 2.362 17.195 -1.709 1.00 2.16 C ATOM 813 OE1 GLU A 52 1.832 16.158 -2.160 1.00 2.83 O ATOM 814 OE2 GLU A 52 1.698 18.115 -1.197 1.00 2.43 O ATOM 0 H GLU A 52 5.613 15.226 1.053 1.00 0.78 H new ATOM 0 HA GLU A 52 3.415 14.862 -0.703 1.00 0.89 H new ATOM 0 HB2 GLU A 52 4.246 17.020 0.271 1.00 1.09 H new ATOM 0 HB3 GLU A 52 5.668 16.905 -0.747 1.00 1.09 H new ATOM 0 HG2 GLU A 52 4.116 18.414 -1.788 1.00 1.70 H new ATOM 0 HG3 GLU A 52 4.206 16.961 -2.765 1.00 1.70 H new ATOM 821 N TYR A 53 6.262 13.884 -1.778 1.00 0.65 N ATOM 822 CA TYR A 53 6.957 13.223 -2.871 1.00 0.61 C ATOM 823 C TYR A 53 6.473 11.781 -3.021 1.00 0.52 C ATOM 824 O TYR A 53 7.145 10.958 -3.640 1.00 0.52 O ATOM 825 CB TYR A 53 8.468 13.236 -2.622 1.00 0.62 C ATOM 826 CG TYR A 53 9.088 14.618 -2.617 1.00 0.82 C ATOM 827 CD1 TYR A 53 8.978 15.447 -3.724 1.00 1.23 C ATOM 828 CD2 TYR A 53 9.764 15.099 -1.504 1.00 0.83 C ATOM 829 CE1 TYR A 53 9.528 16.713 -3.727 1.00 1.44 C ATOM 830 CE2 TYR A 53 10.315 16.367 -1.498 1.00 1.01 C ATOM 831 CZ TYR A 53 10.257 17.142 -2.605 1.00 1.25 C ATOM 832 OH TYR A 53 10.738 18.435 -2.609 1.00 1.48 O ATOM 0 H TYR A 53 6.727 13.798 -0.874 1.00 0.65 H new ATOM 0 HA TYR A 53 6.740 13.765 -3.792 1.00 0.61 H new ATOM 0 HB2 TYR A 53 8.671 12.756 -1.664 1.00 0.62 H new ATOM 0 HB3 TYR A 53 8.956 12.635 -3.389 1.00 0.62 H new ATOM 0 HD1 TYR A 53 8.452 15.095 -4.599 1.00 1.23 H new ATOM 0 HD2 TYR A 53 9.861 14.473 -0.629 1.00 0.83 H new ATOM 0 HE1 TYR A 53 9.400 17.364 -4.579 1.00 1.44 H new ATOM 0 HE2 TYR A 53 10.794 16.741 -0.605 1.00 1.01 H new ATOM 0 HH TYR A 53 11.223 18.606 -1.775 1.00 1.48 H new ATOM 842 N ASP A 54 5.315 11.481 -2.433 1.00 0.52 N ATOM 843 CA ASP A 54 4.724 10.145 -2.508 1.00 0.52 C ATOM 844 C ASP A 54 4.470 9.726 -3.949 1.00 0.57 C ATOM 845 O ASP A 54 4.337 10.565 -4.844 1.00 0.68 O ATOM 846 CB ASP A 54 3.405 10.092 -1.726 1.00 0.65 C ATOM 847 CG ASP A 54 2.306 10.925 -2.363 1.00 0.88 C ATOM 848 OD1 ASP A 54 1.657 10.442 -3.313 1.00 1.22 O ATOM 849 OD2 ASP A 54 2.082 12.069 -1.912 1.00 1.22 O ATOM 0 H ASP A 54 4.764 12.151 -1.896 1.00 0.52 H new ATOM 0 HA ASP A 54 5.439 9.452 -2.065 1.00 0.52 H new ATOM 0 HB2 ASP A 54 3.073 9.056 -1.653 1.00 0.65 H new ATOM 0 HB3 ASP A 54 3.577 10.444 -0.709 1.00 0.65 H new ATOM 854 N GLN A 55 4.415 8.423 -4.171 1.00 0.54 N ATOM 855 CA GLN A 55 4.126 7.889 -5.487 1.00 0.60 C ATOM 856 C GLN A 55 2.865 7.034 -5.441 1.00 0.46 C ATOM 857 O GLN A 55 2.863 5.950 -4.850 1.00 0.57 O ATOM 858 CB GLN A 55 5.289 7.035 -6.016 1.00 0.78 C ATOM 859 CG GLN A 55 6.673 7.637 -5.809 1.00 0.87 C ATOM 860 CD GLN A 55 7.344 7.139 -4.541 1.00 0.88 C ATOM 861 OE1 GLN A 55 6.684 6.827 -3.556 1.00 1.85 O ATOM 862 NE2 GLN A 55 8.664 7.033 -4.569 1.00 0.81 N ATOM 0 H GLN A 55 4.568 7.715 -3.453 1.00 0.54 H new ATOM 0 HA GLN A 55 3.980 8.735 -6.159 1.00 0.60 H new ATOM 0 HB2 GLN A 55 5.256 6.061 -5.529 1.00 0.78 H new ATOM 0 HB3 GLN A 55 5.139 6.863 -7.082 1.00 0.78 H new ATOM 0 HG2 GLN A 55 7.301 7.396 -6.666 1.00 0.87 H new ATOM 0 HG3 GLN A 55 6.590 8.723 -5.769 1.00 0.87 H new ATOM 0 HE21 GLN A 55 9.180 7.302 -5.407 1.00 0.81 H new ATOM 0 HE22 GLN A 55 9.165 6.682 -3.753 1.00 0.81 H new ATOM 871 N VAL A 56 1.787 7.533 -6.030 1.00 0.41 N ATOM 872 CA VAL A 56 0.599 6.721 -6.233 1.00 0.37 C ATOM 873 C VAL A 56 0.904 5.652 -7.269 1.00 0.36 C ATOM 874 O VAL A 56 0.954 5.926 -8.469 1.00 0.44 O ATOM 875 CB VAL A 56 -0.621 7.555 -6.686 1.00 0.50 C ATOM 876 CG1 VAL A 56 -1.812 6.652 -6.980 1.00 0.80 C ATOM 877 CG2 VAL A 56 -0.985 8.590 -5.631 1.00 1.08 C ATOM 0 H VAL A 56 1.712 8.491 -6.373 1.00 0.41 H new ATOM 0 HA VAL A 56 0.337 6.269 -5.277 1.00 0.37 H new ATOM 0 HB VAL A 56 -0.353 8.078 -7.604 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -2.660 7.259 -7.297 1.00 0.80 H new ATOM 0 HG12 VAL A 56 -1.551 5.952 -7.773 1.00 0.80 H new ATOM 0 HG13 VAL A 56 -2.079 6.098 -6.080 1.00 0.80 H new ATOM 0 HG21 VAL A 56 -1.846 9.167 -5.969 1.00 1.08 H new ATOM 0 HG22 VAL A 56 -1.230 8.086 -4.696 1.00 1.08 H new ATOM 0 HG23 VAL A 56 -0.140 9.260 -5.471 1.00 1.08 H new ATOM 887 N LEU A 57 1.136 4.444 -6.788 1.00 0.34 N ATOM 888 CA LEU A 57 1.591 3.350 -7.627 1.00 0.39 C ATOM 889 C LEU A 57 0.540 2.937 -8.637 1.00 0.36 C ATOM 890 O LEU A 57 0.829 2.801 -9.825 1.00 0.48 O ATOM 891 CB LEU A 57 1.977 2.162 -6.752 1.00 0.44 C ATOM 892 CG LEU A 57 3.179 2.411 -5.850 1.00 0.55 C ATOM 893 CD1 LEU A 57 3.453 1.211 -4.963 1.00 1.05 C ATOM 894 CD2 LEU A 57 4.394 2.734 -6.696 1.00 0.77 C ATOM 0 H LEU A 57 1.015 4.194 -5.807 1.00 0.34 H new ATOM 0 HA LEU A 57 2.461 3.694 -8.187 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.123 1.890 -6.132 1.00 0.44 H new ATOM 0 HB3 LEU A 57 2.190 1.307 -7.394 1.00 0.44 H new ATOM 0 HG LEU A 57 2.958 3.259 -5.202 1.00 0.55 H new ATOM 0 HD11 LEU A 57 4.316 1.416 -4.330 1.00 1.05 H new ATOM 0 HD12 LEU A 57 2.582 1.015 -4.337 1.00 1.05 H new ATOM 0 HD13 LEU A 57 3.658 0.339 -5.584 1.00 1.05 H new ATOM 0 HD21 LEU A 57 5.252 2.912 -6.048 1.00 0.77 H new ATOM 0 HD22 LEU A 57 4.608 1.897 -7.360 1.00 0.77 H new ATOM 0 HD23 LEU A 57 4.197 3.627 -7.290 1.00 0.77 H new ATOM 906 N ASP A 58 -0.677 2.735 -8.167 1.00 0.31 N ATOM 907 CA ASP A 58 -1.755 2.316 -9.041 1.00 0.35 C ATOM 908 C ASP A 58 -3.100 2.602 -8.391 1.00 0.33 C ATOM 909 O ASP A 58 -3.172 2.904 -7.196 1.00 0.33 O ATOM 910 CB ASP A 58 -1.633 0.822 -9.362 1.00 0.43 C ATOM 911 CG ASP A 58 -2.168 0.472 -10.738 1.00 0.71 C ATOM 912 OD1 ASP A 58 -3.111 1.145 -11.200 1.00 0.92 O ATOM 913 OD2 ASP A 58 -1.668 -0.495 -11.353 1.00 1.31 O ATOM 0 H ASP A 58 -0.942 2.854 -7.189 1.00 0.31 H new ATOM 0 HA ASP A 58 -1.686 2.880 -9.971 1.00 0.35 H new ATOM 0 HB2 ASP A 58 -0.586 0.525 -9.298 1.00 0.43 H new ATOM 0 HB3 ASP A 58 -2.174 0.248 -8.610 1.00 0.43 H new ATOM 918 N SER A 59 -4.150 2.500 -9.180 1.00 0.42 N ATOM 919 CA SER A 59 -5.500 2.745 -8.722 1.00 0.43 C ATOM 920 C SER A 59 -6.461 1.794 -9.428 1.00 0.46 C ATOM 921 O SER A 59 -6.678 1.894 -10.637 1.00 0.58 O ATOM 922 CB SER A 59 -5.883 4.205 -8.975 1.00 0.52 C ATOM 923 OG SER A 59 -5.485 4.620 -10.274 1.00 1.09 O ATOM 0 H SER A 59 -4.089 2.243 -10.165 1.00 0.42 H new ATOM 0 HA SER A 59 -5.560 2.562 -7.649 1.00 0.43 H new ATOM 0 HB2 SER A 59 -6.961 4.326 -8.865 1.00 0.52 H new ATOM 0 HB3 SER A 59 -5.413 4.843 -8.226 1.00 0.52 H new ATOM 0 HG SER A 59 -5.687 3.911 -10.920 1.00 1.09 H new ATOM 929 N VAL A 60 -7.007 0.858 -8.673 1.00 0.39 N ATOM 930 CA VAL A 60 -7.892 -0.156 -9.221 1.00 0.45 C ATOM 931 C VAL A 60 -9.344 0.180 -8.894 1.00 0.38 C ATOM 932 O VAL A 60 -9.705 0.334 -7.728 1.00 0.39 O ATOM 933 CB VAL A 60 -7.535 -1.555 -8.667 1.00 0.54 C ATOM 934 CG1 VAL A 60 -8.412 -2.632 -9.278 1.00 1.22 C ATOM 935 CG2 VAL A 60 -6.069 -1.869 -8.917 1.00 1.11 C ATOM 0 H VAL A 60 -6.851 0.778 -7.668 1.00 0.39 H new ATOM 0 HA VAL A 60 -7.765 -0.171 -10.303 1.00 0.45 H new ATOM 0 HB VAL A 60 -7.716 -1.541 -7.592 1.00 0.54 H new ATOM 0 HG11 VAL A 60 -8.135 -3.603 -8.867 1.00 1.22 H new ATOM 0 HG12 VAL A 60 -9.457 -2.425 -9.047 1.00 1.22 H new ATOM 0 HG13 VAL A 60 -8.275 -2.643 -10.359 1.00 1.22 H new ATOM 0 HG21 VAL A 60 -5.836 -2.857 -8.521 1.00 1.11 H new ATOM 0 HG22 VAL A 60 -5.871 -1.852 -9.989 1.00 1.11 H new ATOM 0 HG23 VAL A 60 -5.448 -1.123 -8.421 1.00 1.11 H new ATOM 945 N LEU A 61 -10.160 0.314 -9.932 1.00 0.40 N ATOM 946 CA LEU A 61 -11.567 0.673 -9.775 1.00 0.39 C ATOM 947 C LEU A 61 -12.456 -0.530 -10.059 1.00 0.38 C ATOM 948 O LEU A 61 -12.368 -1.121 -11.135 1.00 0.57 O ATOM 949 CB LEU A 61 -11.962 1.802 -10.747 1.00 0.51 C ATOM 950 CG LEU A 61 -11.283 3.168 -10.557 1.00 0.62 C ATOM 951 CD1 LEU A 61 -11.374 3.616 -9.116 1.00 1.31 C ATOM 952 CD2 LEU A 61 -9.834 3.144 -11.021 1.00 1.34 C ATOM 0 H LEU A 61 -9.870 0.178 -10.900 1.00 0.40 H new ATOM 0 HA LEU A 61 -11.704 1.010 -8.748 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -11.755 1.461 -11.761 1.00 0.51 H new ATOM 0 HB3 LEU A 61 -13.040 1.948 -10.674 1.00 0.51 H new ATOM 0 HG LEU A 61 -11.816 3.888 -11.178 1.00 0.62 H new ATOM 0 HD11 LEU A 61 -10.887 4.585 -9.005 1.00 1.31 H new ATOM 0 HD12 LEU A 61 -12.422 3.701 -8.827 1.00 1.31 H new ATOM 0 HD13 LEU A 61 -10.879 2.886 -8.476 1.00 1.31 H new ATOM 0 HD21 LEU A 61 -9.388 4.127 -10.871 1.00 1.34 H new ATOM 0 HD22 LEU A 61 -9.280 2.402 -10.446 1.00 1.34 H new ATOM 0 HD23 LEU A 61 -9.795 2.886 -12.079 1.00 1.34 H new ATOM 964 N VAL A 62 -13.307 -0.905 -9.111 1.00 0.27 N ATOM 965 CA VAL A 62 -14.301 -1.937 -9.387 1.00 0.27 C ATOM 966 C VAL A 62 -15.701 -1.322 -9.382 1.00 0.26 C ATOM 967 O VAL A 62 -16.261 -1.019 -8.328 1.00 0.30 O ATOM 968 CB VAL A 62 -14.229 -3.079 -8.343 1.00 0.34 C ATOM 969 CG1 VAL A 62 -15.254 -4.162 -8.651 1.00 0.72 C ATOM 970 CG2 VAL A 62 -12.825 -3.669 -8.286 1.00 0.59 C ATOM 0 H VAL A 62 -13.331 -0.521 -8.166 1.00 0.27 H new ATOM 0 HA VAL A 62 -14.088 -2.359 -10.369 1.00 0.27 H new ATOM 0 HB VAL A 62 -14.464 -2.658 -7.365 1.00 0.34 H new ATOM 0 HG11 VAL A 62 -15.184 -4.953 -7.904 1.00 0.72 H new ATOM 0 HG12 VAL A 62 -16.255 -3.732 -8.631 1.00 0.72 H new ATOM 0 HG13 VAL A 62 -15.058 -4.578 -9.639 1.00 0.72 H new ATOM 0 HG21 VAL A 62 -12.796 -4.469 -7.547 1.00 0.59 H new ATOM 0 HG22 VAL A 62 -12.558 -4.069 -9.264 1.00 0.59 H new ATOM 0 HG23 VAL A 62 -12.115 -2.891 -8.006 1.00 0.59 H new ATOM 980 N GLY A 63 -16.225 -1.091 -10.577 1.00 0.28 N ATOM 981 CA GLY A 63 -17.572 -0.581 -10.741 1.00 0.33 C ATOM 982 C GLY A 63 -18.550 -1.646 -11.236 1.00 0.36 C ATOM 983 O GLY A 63 -18.334 -2.192 -12.320 1.00 0.42 O ATOM 0 H GLY A 63 -15.729 -1.252 -11.454 1.00 0.28 H new ATOM 0 HA2 GLY A 63 -17.924 -0.185 -9.789 1.00 0.33 H new ATOM 0 HA3 GLY A 63 -17.558 0.250 -11.447 1.00 0.33 H new ATOM 987 N PRO A 64 -19.619 -1.997 -10.501 1.00 0.39 N ATOM 988 CA PRO A 64 -19.832 -1.664 -9.101 1.00 0.39 C ATOM 989 C PRO A 64 -19.428 -2.838 -8.217 1.00 0.38 C ATOM 990 O PRO A 64 -19.166 -3.933 -8.718 1.00 0.41 O ATOM 991 CB PRO A 64 -21.337 -1.434 -9.059 1.00 0.48 C ATOM 992 CG PRO A 64 -21.893 -2.414 -10.040 1.00 0.55 C ATOM 993 CD PRO A 64 -20.786 -2.737 -11.022 1.00 0.48 C ATOM 0 HA PRO A 64 -19.253 -0.812 -8.745 1.00 0.39 H new ATOM 0 HB2 PRO A 64 -21.737 -1.603 -8.059 1.00 0.48 H new ATOM 0 HB3 PRO A 64 -21.590 -0.410 -9.334 1.00 0.48 H new ATOM 0 HG2 PRO A 64 -22.233 -3.317 -9.532 1.00 0.55 H new ATOM 0 HG3 PRO A 64 -22.756 -1.994 -10.557 1.00 0.55 H new ATOM 0 HD2 PRO A 64 -20.592 -3.809 -11.066 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -21.043 -2.418 -12.032 1.00 0.48 H new ATOM 1001 N VAL A 65 -19.338 -2.621 -6.923 1.00 0.39 N ATOM 1002 CA VAL A 65 -18.902 -3.678 -6.028 1.00 0.40 C ATOM 1003 C VAL A 65 -20.099 -4.319 -5.318 1.00 0.41 C ATOM 1004 O VAL A 65 -20.732 -3.701 -4.465 1.00 0.48 O ATOM 1005 CB VAL A 65 -17.894 -3.148 -4.992 1.00 0.47 C ATOM 1006 CG1 VAL A 65 -16.859 -4.212 -4.681 1.00 0.81 C ATOM 1007 CG2 VAL A 65 -17.223 -1.878 -5.494 1.00 0.95 C ATOM 0 H VAL A 65 -19.557 -1.735 -6.468 1.00 0.39 H new ATOM 0 HA VAL A 65 -18.406 -4.438 -6.632 1.00 0.40 H new ATOM 0 HB VAL A 65 -18.432 -2.905 -4.076 1.00 0.47 H new ATOM 0 HG11 VAL A 65 -16.151 -3.827 -3.947 1.00 0.81 H new ATOM 0 HG12 VAL A 65 -17.355 -5.095 -4.278 1.00 0.81 H new ATOM 0 HG13 VAL A 65 -16.327 -4.479 -5.594 1.00 0.81 H new ATOM 0 HG21 VAL A 65 -16.515 -1.521 -4.746 1.00 0.95 H new ATOM 0 HG22 VAL A 65 -16.694 -2.089 -6.423 1.00 0.95 H new ATOM 0 HG23 VAL A 65 -17.979 -1.113 -5.672 1.00 0.95 H new ATOM 1017 N PRO A 66 -20.435 -5.565 -5.689 1.00 0.43 N ATOM 1018 CA PRO A 66 -21.574 -6.283 -5.113 1.00 0.48 C ATOM 1019 C PRO A 66 -21.274 -6.876 -3.740 1.00 0.39 C ATOM 1020 O PRO A 66 -20.132 -7.233 -3.441 1.00 0.33 O ATOM 1021 CB PRO A 66 -21.839 -7.389 -6.134 1.00 0.59 C ATOM 1022 CG PRO A 66 -20.516 -7.652 -6.769 1.00 0.70 C ATOM 1023 CD PRO A 66 -19.741 -6.362 -6.716 1.00 0.46 C ATOM 0 HA PRO A 66 -22.424 -5.623 -4.942 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -22.231 -8.285 -5.653 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -22.576 -7.076 -6.873 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -19.985 -8.444 -6.241 1.00 0.70 H new ATOM 0 HG3 PRO A 66 -20.642 -7.985 -7.799 1.00 0.70 H new ATOM 0 HD2 PRO A 66 -18.698 -6.535 -6.449 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -19.743 -5.856 -7.682 1.00 0.46 H new ATOM 1031 N ALA A 67 -22.317 -6.978 -2.918 1.00 0.41 N ATOM 1032 CA ALA A 67 -22.194 -7.490 -1.559 1.00 0.36 C ATOM 1033 C ALA A 67 -21.652 -8.911 -1.549 1.00 0.34 C ATOM 1034 O ALA A 67 -22.208 -9.810 -2.183 1.00 0.39 O ATOM 1035 CB ALA A 67 -23.535 -7.437 -0.846 1.00 0.40 C ATOM 0 H ALA A 67 -23.266 -6.709 -3.176 1.00 0.41 H new ATOM 0 HA ALA A 67 -21.485 -6.854 -1.029 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -23.424 -7.823 0.167 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -23.885 -6.405 -0.805 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -24.260 -8.044 -1.388 1.00 0.40 H new ATOM 1041 N GLY A 68 -20.569 -9.106 -0.820 1.00 0.32 N ATOM 1042 CA GLY A 68 -19.938 -10.400 -0.742 1.00 0.33 C ATOM 1043 C GLY A 68 -18.470 -10.268 -0.431 1.00 0.27 C ATOM 1044 O GLY A 68 -17.896 -9.189 -0.583 1.00 0.26 O ATOM 0 H GLY A 68 -20.110 -8.378 -0.273 1.00 0.32 H new ATOM 0 HA2 GLY A 68 -20.424 -10.999 0.028 1.00 0.33 H new ATOM 0 HA3 GLY A 68 -20.067 -10.929 -1.686 1.00 0.33 H new ATOM 1048 N ARG A 69 -17.856 -11.344 0.017 1.00 0.28 N ATOM 1049 CA ARG A 69 -16.441 -11.319 0.319 1.00 0.26 C ATOM 1050 C ARG A 69 -15.634 -11.561 -0.950 1.00 0.26 C ATOM 1051 O ARG A 69 -15.644 -12.655 -1.513 1.00 0.37 O ATOM 1052 CB ARG A 69 -16.098 -12.350 1.396 1.00 0.32 C ATOM 1053 CG ARG A 69 -14.646 -12.308 1.831 1.00 0.39 C ATOM 1054 CD ARG A 69 -14.424 -13.100 3.111 1.00 0.48 C ATOM 1055 NE ARG A 69 -15.239 -12.600 4.224 1.00 1.24 N ATOM 1056 CZ ARG A 69 -14.828 -12.549 5.494 1.00 1.73 C ATOM 1057 NH1 ARG A 69 -13.602 -12.940 5.822 1.00 1.65 N ATOM 1058 NH2 ARG A 69 -15.650 -12.096 6.435 1.00 2.78 N ATOM 0 H ARG A 69 -18.312 -12.242 0.179 1.00 0.28 H new ATOM 0 HA ARG A 69 -16.182 -10.335 0.710 1.00 0.26 H new ATOM 0 HB2 ARG A 69 -16.735 -12.182 2.265 1.00 0.32 H new ATOM 0 HB3 ARG A 69 -16.328 -13.347 1.020 1.00 0.32 H new ATOM 0 HG2 ARG A 69 -14.016 -12.712 1.038 1.00 0.39 H new ATOM 0 HG3 ARG A 69 -14.341 -11.273 1.985 1.00 0.39 H new ATOM 0 HD2 ARG A 69 -14.661 -14.149 2.932 1.00 0.48 H new ATOM 0 HD3 ARG A 69 -13.370 -13.054 3.386 1.00 0.48 H new ATOM 0 HE ARG A 69 -16.181 -12.270 4.014 1.00 1.24 H new ATOM 0 HH11 ARG A 69 -12.966 -13.283 5.102 1.00 1.65 H new ATOM 0 HH12 ARG A 69 -13.296 -12.898 6.794 1.00 1.65 H new ATOM 0 HH21 ARG A 69 -16.590 -11.789 6.186 1.00 2.78 H new ATOM 0 HH22 ARG A 69 -15.341 -12.055 7.406 1.00 2.78 H new ATOM 1072 N HIS A 70 -14.965 -10.519 -1.411 1.00 0.21 N ATOM 1073 CA HIS A 70 -14.190 -10.581 -2.638 1.00 0.24 C ATOM 1074 C HIS A 70 -12.703 -10.598 -2.320 1.00 0.25 C ATOM 1075 O HIS A 70 -12.272 -10.024 -1.324 1.00 0.37 O ATOM 1076 CB HIS A 70 -14.507 -9.378 -3.526 1.00 0.30 C ATOM 1077 CG HIS A 70 -15.899 -9.371 -4.085 1.00 0.35 C ATOM 1078 ND1 HIS A 70 -16.224 -9.927 -5.302 1.00 0.60 N ATOM 1079 CD2 HIS A 70 -17.052 -8.857 -3.591 1.00 0.41 C ATOM 1080 CE1 HIS A 70 -17.511 -9.755 -5.535 1.00 0.62 C ATOM 1081 NE2 HIS A 70 -18.039 -9.109 -4.512 1.00 0.47 N ATOM 0 H HIS A 70 -14.943 -9.610 -0.948 1.00 0.21 H new ATOM 0 HA HIS A 70 -14.455 -11.497 -3.167 1.00 0.24 H new ATOM 0 HB2 HIS A 70 -14.356 -8.466 -2.949 1.00 0.30 H new ATOM 0 HB3 HIS A 70 -13.796 -9.354 -4.352 1.00 0.30 H new ATOM 0 HD2 HIS A 70 -17.172 -8.344 -2.648 1.00 0.41 H new ATOM 0 HE1 HIS A 70 -18.043 -10.087 -6.414 1.00 0.62 H new ATOM 0 HE2 HIS A 70 -19.019 -8.841 -4.421 1.00 0.47 H new ATOM 1090 N MET A 71 -11.921 -11.246 -3.163 1.00 0.33 N ATOM 1091 CA MET A 71 -10.481 -11.312 -2.960 1.00 0.38 C ATOM 1092 C MET A 71 -9.748 -11.043 -4.263 1.00 0.38 C ATOM 1093 O MET A 71 -9.777 -11.863 -5.180 1.00 0.48 O ATOM 1094 CB MET A 71 -10.084 -12.683 -2.413 1.00 0.47 C ATOM 1095 CG MET A 71 -8.582 -12.884 -2.294 1.00 0.60 C ATOM 1096 SD MET A 71 -8.152 -14.524 -1.683 1.00 0.80 S ATOM 1097 CE MET A 71 -8.890 -15.553 -2.952 1.00 1.80 C ATOM 0 H MET A 71 -12.255 -11.734 -3.994 1.00 0.33 H new ATOM 0 HA MET A 71 -10.201 -10.547 -2.235 1.00 0.38 H new ATOM 0 HB2 MET A 71 -10.538 -12.818 -1.431 1.00 0.47 H new ATOM 0 HB3 MET A 71 -10.494 -13.456 -3.063 1.00 0.47 H new ATOM 0 HG2 MET A 71 -8.120 -12.730 -3.269 1.00 0.60 H new ATOM 0 HG3 MET A 71 -8.170 -12.130 -1.623 1.00 0.60 H new ATOM 0 HE1 MET A 71 -8.444 -16.547 -2.920 1.00 1.80 H new ATOM 0 HE2 MET A 71 -9.963 -15.631 -2.778 1.00 1.80 H new ATOM 0 HE3 MET A 71 -8.713 -15.107 -3.931 1.00 1.80 H new ATOM 1107 N PHE A 72 -9.103 -9.894 -4.353 1.00 0.33 N ATOM 1108 CA PHE A 72 -8.325 -9.564 -5.534 1.00 0.31 C ATOM 1109 C PHE A 72 -6.893 -9.247 -5.129 1.00 0.29 C ATOM 1110 O PHE A 72 -6.646 -8.694 -4.053 1.00 0.30 O ATOM 1111 CB PHE A 72 -8.952 -8.392 -6.312 1.00 0.33 C ATOM 1112 CG PHE A 72 -8.677 -7.026 -5.740 1.00 0.31 C ATOM 1113 CD1 PHE A 72 -9.392 -6.546 -4.655 1.00 0.37 C ATOM 1114 CD2 PHE A 72 -7.702 -6.217 -6.305 1.00 0.31 C ATOM 1115 CE1 PHE A 72 -9.138 -5.287 -4.144 1.00 0.36 C ATOM 1116 CE2 PHE A 72 -7.444 -4.960 -5.798 1.00 0.32 C ATOM 1117 CZ PHE A 72 -8.163 -4.495 -4.715 1.00 0.29 C ATOM 0 H PHE A 72 -9.102 -9.177 -3.627 1.00 0.33 H new ATOM 0 HA PHE A 72 -8.323 -10.426 -6.201 1.00 0.31 H new ATOM 0 HB2 PHE A 72 -8.585 -8.420 -7.338 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -10.031 -8.540 -6.355 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -10.156 -7.162 -4.204 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -7.137 -6.576 -7.153 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -9.702 -4.923 -3.298 1.00 0.36 H new ATOM 0 HE2 PHE A 72 -6.681 -4.341 -6.247 1.00 0.32 H new ATOM 0 HZ PHE A 72 -7.962 -3.512 -4.315 1.00 0.29 H new ATOM 1127 N VAL A 73 -5.951 -9.614 -5.974 1.00 0.29 N ATOM 1128 CA VAL A 73 -4.553 -9.380 -5.687 1.00 0.29 C ATOM 1129 C VAL A 73 -4.102 -8.080 -6.330 1.00 0.30 C ATOM 1130 O VAL A 73 -3.937 -7.998 -7.549 1.00 0.47 O ATOM 1131 CB VAL A 73 -3.661 -10.541 -6.173 1.00 0.36 C ATOM 1132 CG1 VAL A 73 -2.207 -10.300 -5.796 1.00 1.12 C ATOM 1133 CG2 VAL A 73 -4.151 -11.865 -5.604 1.00 1.00 C ATOM 0 H VAL A 73 -6.130 -10.076 -6.866 1.00 0.29 H new ATOM 0 HA VAL A 73 -4.447 -9.312 -4.604 1.00 0.29 H new ATOM 0 HB VAL A 73 -3.726 -10.589 -7.260 1.00 0.36 H new ATOM 0 HG11 VAL A 73 -1.597 -11.132 -6.149 1.00 1.12 H new ATOM 0 HG12 VAL A 73 -1.860 -9.375 -6.256 1.00 1.12 H new ATOM 0 HG13 VAL A 73 -2.120 -10.221 -4.712 1.00 1.12 H new ATOM 0 HG21 VAL A 73 -3.510 -12.672 -5.958 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -4.120 -11.827 -4.515 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -5.175 -12.045 -5.931 1.00 1.00 H new ATOM 1143 N PHE A 74 -3.937 -7.062 -5.508 1.00 0.26 N ATOM 1144 CA PHE A 74 -3.463 -5.779 -5.975 1.00 0.25 C ATOM 1145 C PHE A 74 -1.961 -5.865 -6.173 1.00 0.25 C ATOM 1146 O PHE A 74 -1.221 -6.201 -5.248 1.00 0.31 O ATOM 1147 CB PHE A 74 -3.800 -4.682 -4.959 1.00 0.28 C ATOM 1148 CG PHE A 74 -3.734 -3.274 -5.496 1.00 0.27 C ATOM 1149 CD1 PHE A 74 -2.669 -2.846 -6.277 1.00 0.43 C ATOM 1150 CD2 PHE A 74 -4.744 -2.373 -5.206 1.00 0.39 C ATOM 1151 CE1 PHE A 74 -2.614 -1.551 -6.755 1.00 0.42 C ATOM 1152 CE2 PHE A 74 -4.694 -1.077 -5.678 1.00 0.44 C ATOM 1153 CZ PHE A 74 -3.628 -0.665 -6.453 1.00 0.31 C ATOM 0 H PHE A 74 -4.127 -7.102 -4.507 1.00 0.26 H new ATOM 0 HA PHE A 74 -3.950 -5.527 -6.917 1.00 0.25 H new ATOM 0 HB2 PHE A 74 -4.804 -4.861 -4.573 1.00 0.28 H new ATOM 0 HB3 PHE A 74 -3.115 -4.766 -4.116 1.00 0.28 H new ATOM 0 HD1 PHE A 74 -1.872 -3.535 -6.514 1.00 0.43 H new ATOM 0 HD2 PHE A 74 -5.582 -2.688 -4.602 1.00 0.39 H new ATOM 0 HE1 PHE A 74 -1.780 -1.233 -7.363 1.00 0.42 H new ATOM 0 HE2 PHE A 74 -5.489 -0.385 -5.441 1.00 0.44 H new ATOM 0 HZ PHE A 74 -3.588 0.349 -6.822 1.00 0.31 H new ATOM 1163 N GLN A 75 -1.518 -5.580 -7.378 1.00 0.24 N ATOM 1164 CA GLN A 75 -0.100 -5.602 -7.677 1.00 0.27 C ATOM 1165 C GLN A 75 0.310 -4.235 -8.196 1.00 0.32 C ATOM 1166 O GLN A 75 -0.154 -3.796 -9.249 1.00 0.41 O ATOM 1167 CB GLN A 75 0.231 -6.682 -8.709 1.00 0.32 C ATOM 1168 CG GLN A 75 -0.385 -8.037 -8.396 1.00 0.49 C ATOM 1169 CD GLN A 75 -0.021 -9.104 -9.413 1.00 0.52 C ATOM 1170 OE1 GLN A 75 0.068 -10.286 -9.084 1.00 1.14 O ATOM 1171 NE2 GLN A 75 0.184 -8.700 -10.656 1.00 1.12 N ATOM 0 H GLN A 75 -2.116 -5.331 -8.166 1.00 0.24 H new ATOM 0 HA GLN A 75 0.453 -5.837 -6.767 1.00 0.27 H new ATOM 0 HB2 GLN A 75 -0.115 -6.353 -9.689 1.00 0.32 H new ATOM 0 HB3 GLN A 75 1.314 -6.791 -8.773 1.00 0.32 H new ATOM 0 HG2 GLN A 75 -0.058 -8.359 -7.407 1.00 0.49 H new ATOM 0 HG3 GLN A 75 -1.470 -7.936 -8.356 1.00 0.49 H new ATOM 0 HE21 GLN A 75 0.101 -7.711 -10.891 1.00 1.12 H new ATOM 0 HE22 GLN A 75 0.425 -9.378 -11.379 1.00 1.12 H new ATOM 1180 N ALA A 76 1.169 -3.565 -7.457 1.00 0.36 N ATOM 1181 CA ALA A 76 1.551 -2.208 -7.796 1.00 0.46 C ATOM 1182 C ALA A 76 2.981 -2.158 -8.298 1.00 0.40 C ATOM 1183 O ALA A 76 3.809 -2.976 -7.906 1.00 0.48 O ATOM 1184 CB ALA A 76 1.367 -1.294 -6.598 1.00 0.56 C ATOM 0 H ALA A 76 1.616 -3.936 -6.619 1.00 0.36 H new ATOM 0 HA ALA A 76 0.903 -1.859 -8.600 1.00 0.46 H new ATOM 0 HB1 ALA A 76 1.658 -0.279 -6.867 1.00 0.56 H new ATOM 0 HB2 ALA A 76 0.321 -1.303 -6.291 1.00 0.56 H new ATOM 0 HB3 ALA A 76 1.990 -1.644 -5.775 1.00 0.56 H new ATOM 1190 N ASP A 77 3.259 -1.191 -9.156 1.00 0.56 N ATOM 1191 CA ASP A 77 4.572 -1.065 -9.780 1.00 0.61 C ATOM 1192 C ASP A 77 5.614 -0.597 -8.767 1.00 0.43 C ATOM 1193 O ASP A 77 5.308 -0.388 -7.590 1.00 0.47 O ATOM 1194 CB ASP A 77 4.505 -0.069 -10.939 1.00 0.95 C ATOM 1195 CG ASP A 77 5.390 -0.461 -12.105 1.00 1.54 C ATOM 1196 OD1 ASP A 77 6.627 -0.340 -11.989 1.00 2.06 O ATOM 1197 OD2 ASP A 77 4.846 -0.891 -13.145 1.00 2.13 O ATOM 0 H ASP A 77 2.590 -0.475 -9.440 1.00 0.56 H new ATOM 0 HA ASP A 77 4.866 -2.045 -10.155 1.00 0.61 H new ATOM 0 HB2 ASP A 77 3.474 0.012 -11.283 1.00 0.95 H new ATOM 0 HB3 ASP A 77 4.800 0.918 -10.581 1.00 0.95 H new ATOM 1202 N ALA A 78 6.843 -0.431 -9.228 1.00 0.45 N ATOM 1203 CA ALA A 78 7.909 0.070 -8.393 1.00 0.36 C ATOM 1204 C ALA A 78 7.869 1.592 -8.359 1.00 0.37 C ATOM 1205 O ALA A 78 7.852 2.243 -9.406 1.00 0.46 O ATOM 1206 CB ALA A 78 9.250 -0.423 -8.909 1.00 0.40 C ATOM 0 H ALA A 78 7.123 -0.640 -10.186 1.00 0.45 H new ATOM 0 HA ALA A 78 7.775 -0.302 -7.377 1.00 0.36 H new ATOM 0 HB1 ALA A 78 10.048 -0.040 -8.273 1.00 0.40 H new ATOM 0 HB2 ALA A 78 9.267 -1.513 -8.895 1.00 0.40 H new ATOM 0 HB3 ALA A 78 9.399 -0.071 -9.930 1.00 0.40 H new ATOM 1212 N PRO A 79 7.828 2.173 -7.153 1.00 0.34 N ATOM 1213 CA PRO A 79 7.763 3.626 -6.964 1.00 0.43 C ATOM 1214 C PRO A 79 8.889 4.366 -7.678 1.00 0.41 C ATOM 1215 O PRO A 79 9.971 3.816 -7.881 1.00 0.47 O ATOM 1216 CB PRO A 79 7.898 3.795 -5.449 1.00 0.47 C ATOM 1217 CG PRO A 79 7.432 2.504 -4.879 1.00 0.53 C ATOM 1218 CD PRO A 79 7.824 1.449 -5.871 1.00 0.33 C ATOM 0 HA PRO A 79 6.845 4.042 -7.378 1.00 0.43 H new ATOM 0 HB2 PRO A 79 8.929 4.003 -5.165 1.00 0.47 H new ATOM 0 HB3 PRO A 79 7.294 4.627 -5.089 1.00 0.47 H new ATOM 0 HG2 PRO A 79 7.892 2.317 -3.909 1.00 0.53 H new ATOM 0 HG3 PRO A 79 6.353 2.513 -4.724 1.00 0.53 H new ATOM 0 HD2 PRO A 79 8.803 1.028 -5.644 1.00 0.33 H new ATOM 0 HD3 PRO A 79 7.115 0.621 -5.879 1.00 0.33 H new ATOM 1226 N ASN A 80 8.615 5.607 -8.074 1.00 0.43 N ATOM 1227 CA ASN A 80 9.614 6.466 -8.709 1.00 0.46 C ATOM 1228 C ASN A 80 10.884 6.528 -7.866 1.00 0.40 C ATOM 1229 O ASN A 80 10.872 7.070 -6.758 1.00 0.39 O ATOM 1230 CB ASN A 80 9.076 7.892 -8.899 1.00 0.56 C ATOM 1231 CG ASN A 80 7.853 7.973 -9.798 1.00 1.33 C ATOM 1232 OD1 ASN A 80 7.048 7.044 -9.868 1.00 2.19 O ATOM 1233 ND2 ASN A 80 7.699 9.095 -10.482 1.00 1.59 N ATOM 0 H ASN A 80 7.700 6.044 -7.965 1.00 0.43 H new ATOM 0 HA ASN A 80 9.841 6.035 -9.684 1.00 0.46 H new ATOM 0 HB2 ASN A 80 8.826 8.309 -7.923 1.00 0.56 H new ATOM 0 HB3 ASN A 80 9.866 8.515 -9.319 1.00 0.56 H new ATOM 0 HD21 ASN A 80 6.891 9.213 -11.094 1.00 1.59 H new ATOM 0 HD22 ASN A 80 8.388 9.842 -10.398 1.00 1.59 H new ATOM 1240 N PRO A 81 11.997 5.980 -8.382 1.00 0.41 N ATOM 1241 CA PRO A 81 13.274 5.945 -7.663 1.00 0.41 C ATOM 1242 C PRO A 81 13.814 7.343 -7.392 1.00 0.43 C ATOM 1243 O PRO A 81 14.571 7.559 -6.449 1.00 0.48 O ATOM 1244 CB PRO A 81 14.212 5.178 -8.606 1.00 0.47 C ATOM 1245 CG PRO A 81 13.313 4.473 -9.562 1.00 0.54 C ATOM 1246 CD PRO A 81 12.101 5.347 -9.706 1.00 0.48 C ATOM 0 HA PRO A 81 13.174 5.478 -6.683 1.00 0.41 H new ATOM 0 HB2 PRO A 81 14.887 5.856 -9.128 1.00 0.47 H new ATOM 0 HB3 PRO A 81 14.833 4.472 -8.055 1.00 0.47 H new ATOM 0 HG2 PRO A 81 13.804 4.325 -10.524 1.00 0.54 H new ATOM 0 HG3 PRO A 81 13.041 3.486 -9.187 1.00 0.54 H new ATOM 0 HD2 PRO A 81 12.226 6.085 -10.498 1.00 0.48 H new ATOM 0 HD3 PRO A 81 11.210 4.767 -9.948 1.00 0.48 H new ATOM 1254 N GLY A 82 13.398 8.293 -8.212 1.00 0.45 N ATOM 1255 CA GLY A 82 13.835 9.663 -8.045 1.00 0.49 C ATOM 1256 C GLY A 82 13.129 10.370 -6.903 1.00 0.48 C ATOM 1257 O GLY A 82 13.496 11.485 -6.538 1.00 0.51 O ATOM 0 H GLY A 82 12.762 8.140 -8.995 1.00 0.45 H new ATOM 0 HA2 GLY A 82 14.910 9.677 -7.866 1.00 0.49 H new ATOM 0 HA3 GLY A 82 13.658 10.211 -8.970 1.00 0.49 H new ATOM 1261 N LEU A 83 12.120 9.725 -6.329 1.00 0.46 N ATOM 1262 CA LEU A 83 11.364 10.329 -5.240 1.00 0.49 C ATOM 1263 C LEU A 83 11.745 9.729 -3.889 1.00 0.46 C ATOM 1264 O LEU A 83 11.420 10.294 -2.848 1.00 0.52 O ATOM 1265 CB LEU A 83 9.857 10.184 -5.480 1.00 0.52 C ATOM 1266 CG LEU A 83 9.304 10.994 -6.656 1.00 0.58 C ATOM 1267 CD1 LEU A 83 7.810 10.762 -6.820 1.00 1.60 C ATOM 1268 CD2 LEU A 83 9.590 12.475 -6.462 1.00 1.34 C ATOM 0 H LEU A 83 11.809 8.791 -6.597 1.00 0.46 H new ATOM 0 HA LEU A 83 11.616 11.389 -5.218 1.00 0.49 H new ATOM 0 HB2 LEU A 83 9.631 9.131 -5.647 1.00 0.52 H new ATOM 0 HB3 LEU A 83 9.330 10.483 -4.574 1.00 0.52 H new ATOM 0 HG LEU A 83 9.804 10.657 -7.564 1.00 0.58 H new ATOM 0 HD11 LEU A 83 7.441 11.348 -7.662 1.00 1.60 H new ATOM 0 HD12 LEU A 83 7.624 9.704 -7.005 1.00 1.60 H new ATOM 0 HD13 LEU A 83 7.292 11.067 -5.911 1.00 1.60 H new ATOM 0 HD21 LEU A 83 9.190 13.036 -7.307 1.00 1.34 H new ATOM 0 HD22 LEU A 83 9.118 12.819 -5.542 1.00 1.34 H new ATOM 0 HD23 LEU A 83 10.667 12.632 -6.399 1.00 1.34 H new ATOM 1280 N ILE A 84 12.422 8.583 -3.903 1.00 0.41 N ATOM 1281 CA ILE A 84 12.888 7.972 -2.662 1.00 0.40 C ATOM 1282 C ILE A 84 14.217 8.593 -2.219 1.00 0.46 C ATOM 1283 O ILE A 84 15.226 8.494 -2.918 1.00 0.52 O ATOM 1284 CB ILE A 84 13.038 6.443 -2.804 1.00 0.37 C ATOM 1285 CG1 ILE A 84 11.718 5.829 -3.283 1.00 0.34 C ATOM 1286 CG2 ILE A 84 13.460 5.825 -1.477 1.00 0.39 C ATOM 1287 CD1 ILE A 84 11.765 4.324 -3.439 1.00 0.33 C ATOM 0 H ILE A 84 12.658 8.064 -4.749 1.00 0.41 H new ATOM 0 HA ILE A 84 12.134 8.167 -1.899 1.00 0.40 H new ATOM 0 HB ILE A 84 13.812 6.233 -3.543 1.00 0.37 H new ATOM 0 HG12 ILE A 84 10.930 6.087 -2.575 1.00 0.34 H new ATOM 0 HG13 ILE A 84 11.446 6.276 -4.239 1.00 0.34 H new ATOM 0 HG21 ILE A 84 13.561 4.746 -1.594 1.00 0.39 H new ATOM 0 HG22 ILE A 84 14.415 6.248 -1.166 1.00 0.39 H new ATOM 0 HG23 ILE A 84 12.705 6.038 -0.720 1.00 0.39 H new ATOM 0 HD11 ILE A 84 10.795 3.963 -3.781 1.00 0.33 H new ATOM 0 HD12 ILE A 84 12.529 4.058 -4.169 1.00 0.33 H new ATOM 0 HD13 ILE A 84 12.005 3.866 -2.479 1.00 0.33 H new ATOM 1299 N PRO A 85 14.215 9.255 -1.048 1.00 0.48 N ATOM 1300 CA PRO A 85 15.374 9.987 -0.529 1.00 0.57 C ATOM 1301 C PRO A 85 16.414 9.080 0.122 1.00 0.56 C ATOM 1302 O PRO A 85 16.093 7.980 0.579 1.00 0.55 O ATOM 1303 CB PRO A 85 14.746 10.910 0.513 1.00 0.68 C ATOM 1304 CG PRO A 85 13.584 10.140 1.038 1.00 0.81 C ATOM 1305 CD PRO A 85 13.077 9.312 -0.116 1.00 0.50 C ATOM 0 HA PRO A 85 15.920 10.500 -1.321 1.00 0.57 H new ATOM 0 HB2 PRO A 85 15.453 11.153 1.306 1.00 0.68 H new ATOM 0 HB3 PRO A 85 14.429 11.854 0.069 1.00 0.68 H new ATOM 0 HG2 PRO A 85 13.882 9.505 1.872 1.00 0.81 H new ATOM 0 HG3 PRO A 85 12.808 10.810 1.408 1.00 0.81 H new ATOM 0 HD2 PRO A 85 12.779 8.315 0.210 1.00 0.50 H new ATOM 0 HD3 PRO A 85 12.204 9.770 -0.581 1.00 0.50 H new ATOM 1313 N ASP A 86 17.649 9.570 0.193 1.00 0.67 N ATOM 1314 CA ASP A 86 18.750 8.845 0.830 1.00 0.76 C ATOM 1315 C ASP A 86 18.395 8.465 2.263 1.00 0.78 C ATOM 1316 O ASP A 86 18.712 7.372 2.727 1.00 0.86 O ATOM 1317 CB ASP A 86 20.017 9.706 0.874 1.00 0.98 C ATOM 1318 CG ASP A 86 20.503 10.150 -0.488 1.00 1.52 C ATOM 1319 OD1 ASP A 86 19.977 11.151 -1.009 1.00 2.29 O ATOM 1320 OD2 ASP A 86 21.381 9.469 -1.059 1.00 1.92 O ATOM 0 H ASP A 86 17.916 10.478 -0.188 1.00 0.67 H new ATOM 0 HA ASP A 86 18.926 7.947 0.237 1.00 0.76 H new ATOM 0 HB2 ASP A 86 19.825 10.588 1.486 1.00 0.98 H new ATOM 0 HB3 ASP A 86 20.810 9.143 1.366 1.00 0.98 H new ATOM 1325 N ALA A 87 17.733 9.388 2.947 1.00 0.83 N ATOM 1326 CA ALA A 87 17.443 9.256 4.370 1.00 0.99 C ATOM 1327 C ALA A 87 16.575 8.043 4.693 1.00 0.90 C ATOM 1328 O ALA A 87 16.792 7.374 5.705 1.00 1.07 O ATOM 1329 CB ALA A 87 16.776 10.525 4.876 1.00 1.25 C ATOM 0 H ALA A 87 17.381 10.251 2.531 1.00 0.83 H new ATOM 0 HA ALA A 87 18.395 9.102 4.878 1.00 0.99 H new ATOM 0 HB1 ALA A 87 16.560 10.423 5.940 1.00 1.25 H new ATOM 0 HB2 ALA A 87 17.442 11.373 4.720 1.00 1.25 H new ATOM 0 HB3 ALA A 87 15.846 10.689 4.331 1.00 1.25 H new ATOM 1335 N ASP A 88 15.608 7.739 3.839 1.00 0.76 N ATOM 1336 CA ASP A 88 14.615 6.723 4.181 1.00 0.78 C ATOM 1337 C ASP A 88 14.691 5.500 3.266 1.00 0.62 C ATOM 1338 O ASP A 88 14.037 4.489 3.518 1.00 0.64 O ATOM 1339 CB ASP A 88 13.217 7.335 4.128 1.00 0.99 C ATOM 1340 CG ASP A 88 12.189 6.493 4.851 1.00 1.41 C ATOM 1341 OD1 ASP A 88 12.264 6.402 6.094 1.00 1.68 O ATOM 1342 OD2 ASP A 88 11.296 5.935 4.184 1.00 1.94 O ATOM 0 H ASP A 88 15.488 8.169 2.922 1.00 0.76 H new ATOM 0 HA ASP A 88 14.832 6.378 5.192 1.00 0.78 H new ATOM 0 HB2 ASP A 88 13.243 8.331 4.570 1.00 0.99 H new ATOM 0 HB3 ASP A 88 12.916 7.456 3.087 1.00 0.99 H new ATOM 1347 N ALA A 89 15.499 5.588 2.215 1.00 0.54 N ATOM 1348 CA ALA A 89 15.609 4.505 1.241 1.00 0.49 C ATOM 1349 C ALA A 89 16.136 3.227 1.882 1.00 0.44 C ATOM 1350 O ALA A 89 15.673 2.133 1.574 1.00 0.51 O ATOM 1351 CB ALA A 89 16.505 4.915 0.084 1.00 0.48 C ATOM 0 H ALA A 89 16.087 6.397 2.015 1.00 0.54 H new ATOM 0 HA ALA A 89 14.607 4.304 0.861 1.00 0.49 H new ATOM 0 HB1 ALA A 89 16.574 4.095 -0.631 1.00 0.48 H new ATOM 0 HB2 ALA A 89 16.084 5.791 -0.409 1.00 0.48 H new ATOM 0 HB3 ALA A 89 17.500 5.153 0.461 1.00 0.48 H new ATOM 1357 N VAL A 90 17.101 3.373 2.775 1.00 0.41 N ATOM 1358 CA VAL A 90 17.702 2.230 3.448 1.00 0.43 C ATOM 1359 C VAL A 90 17.104 2.092 4.852 1.00 0.43 C ATOM 1360 O VAL A 90 17.801 1.770 5.815 1.00 0.49 O ATOM 1361 CB VAL A 90 19.237 2.399 3.556 1.00 0.49 C ATOM 1362 CG1 VAL A 90 19.913 1.067 3.851 1.00 0.56 C ATOM 1363 CG2 VAL A 90 19.799 3.013 2.285 1.00 0.54 C ATOM 0 H VAL A 90 17.487 4.275 3.053 1.00 0.41 H new ATOM 0 HA VAL A 90 17.492 1.334 2.864 1.00 0.43 H new ATOM 0 HB VAL A 90 19.444 3.074 4.386 1.00 0.49 H new ATOM 0 HG11 VAL A 90 20.991 1.214 3.922 1.00 0.56 H new ATOM 0 HG12 VAL A 90 19.538 0.670 4.794 1.00 0.56 H new ATOM 0 HG13 VAL A 90 19.695 0.363 3.048 1.00 0.56 H new ATOM 0 HG21 VAL A 90 20.879 3.123 2.381 1.00 0.54 H new ATOM 0 HG22 VAL A 90 19.574 2.365 1.438 1.00 0.54 H new ATOM 0 HG23 VAL A 90 19.347 3.992 2.123 1.00 0.54 H new ATOM 1373 N GLY A 91 15.803 2.325 4.966 1.00 0.42 N ATOM 1374 CA GLY A 91 15.191 2.411 6.275 1.00 0.46 C ATOM 1375 C GLY A 91 13.795 1.831 6.319 1.00 0.43 C ATOM 1376 O GLY A 91 13.577 0.688 5.920 1.00 0.62 O ATOM 0 H GLY A 91 15.165 2.455 4.181 1.00 0.42 H new ATOM 0 HA2 GLY A 91 15.818 1.888 6.997 1.00 0.46 H new ATOM 0 HA3 GLY A 91 15.153 3.456 6.583 1.00 0.46 H new ATOM 1380 N VAL A 92 12.846 2.610 6.817 1.00 0.40 N ATOM 1381 CA VAL A 92 11.470 2.153 6.932 1.00 0.38 C ATOM 1382 C VAL A 92 10.491 3.170 6.342 1.00 0.36 C ATOM 1383 O VAL A 92 10.234 4.229 6.917 1.00 0.55 O ATOM 1384 CB VAL A 92 11.098 1.822 8.399 1.00 0.50 C ATOM 1385 CG1 VAL A 92 11.418 2.983 9.333 1.00 1.07 C ATOM 1386 CG2 VAL A 92 9.631 1.430 8.508 1.00 1.23 C ATOM 0 H VAL A 92 13.004 3.562 7.148 1.00 0.40 H new ATOM 0 HA VAL A 92 11.391 1.233 6.352 1.00 0.38 H new ATOM 0 HB VAL A 92 11.706 0.972 8.710 1.00 0.50 H new ATOM 0 HG11 VAL A 92 11.144 2.715 10.353 1.00 1.07 H new ATOM 0 HG12 VAL A 92 12.485 3.202 9.289 1.00 1.07 H new ATOM 0 HG13 VAL A 92 10.854 3.864 9.025 1.00 1.07 H new ATOM 0 HG21 VAL A 92 9.392 1.202 9.547 1.00 1.23 H new ATOM 0 HG22 VAL A 92 9.007 2.255 8.165 1.00 1.23 H new ATOM 0 HG23 VAL A 92 9.442 0.552 7.891 1.00 1.23 H new ATOM 1396 N THR A 93 9.955 2.828 5.186 1.00 0.28 N ATOM 1397 CA THR A 93 9.001 3.654 4.488 1.00 0.28 C ATOM 1398 C THR A 93 7.591 3.112 4.737 1.00 0.27 C ATOM 1399 O THR A 93 7.432 2.008 5.256 1.00 0.41 O ATOM 1400 CB THR A 93 9.315 3.641 2.981 1.00 0.35 C ATOM 1401 OG1 THR A 93 10.730 3.745 2.780 1.00 0.63 O ATOM 1402 CG2 THR A 93 8.629 4.785 2.266 1.00 0.59 C ATOM 0 H THR A 93 10.176 1.957 4.703 1.00 0.28 H new ATOM 0 HA THR A 93 9.062 4.680 4.852 1.00 0.28 H new ATOM 0 HB THR A 93 8.944 2.702 2.570 1.00 0.35 H new ATOM 0 HG1 THR A 93 11.066 4.549 3.229 1.00 0.63 H new ATOM 0 HG21 THR A 93 8.871 4.748 1.204 1.00 0.59 H new ATOM 0 HG22 THR A 93 7.550 4.700 2.396 1.00 0.59 H new ATOM 0 HG23 THR A 93 8.971 5.732 2.683 1.00 0.59 H new ATOM 1410 N VAL A 94 6.570 3.879 4.402 1.00 0.25 N ATOM 1411 CA VAL A 94 5.203 3.410 4.561 1.00 0.25 C ATOM 1412 C VAL A 94 4.552 3.193 3.196 1.00 0.24 C ATOM 1413 O VAL A 94 4.715 4.006 2.286 1.00 0.28 O ATOM 1414 CB VAL A 94 4.352 4.407 5.382 1.00 0.30 C ATOM 1415 CG1 VAL A 94 2.956 3.854 5.632 1.00 0.36 C ATOM 1416 CG2 VAL A 94 5.034 4.748 6.700 1.00 0.32 C ATOM 0 H VAL A 94 6.658 4.821 4.021 1.00 0.25 H new ATOM 0 HA VAL A 94 5.244 2.465 5.102 1.00 0.25 H new ATOM 0 HB VAL A 94 4.257 5.323 4.799 1.00 0.30 H new ATOM 0 HG11 VAL A 94 2.378 4.574 6.211 1.00 0.36 H new ATOM 0 HG12 VAL A 94 2.460 3.673 4.678 1.00 0.36 H new ATOM 0 HG13 VAL A 94 3.029 2.918 6.186 1.00 0.36 H new ATOM 0 HG21 VAL A 94 4.416 5.451 7.259 1.00 0.32 H new ATOM 0 HG22 VAL A 94 5.169 3.839 7.286 1.00 0.32 H new ATOM 0 HG23 VAL A 94 6.006 5.199 6.501 1.00 0.32 H new ATOM 1426 N VAL A 95 3.840 2.087 3.053 1.00 0.22 N ATOM 1427 CA VAL A 95 3.061 1.826 1.861 1.00 0.22 C ATOM 1428 C VAL A 95 1.602 1.699 2.266 1.00 0.24 C ATOM 1429 O VAL A 95 1.214 0.771 2.979 1.00 0.34 O ATOM 1430 CB VAL A 95 3.552 0.562 1.104 1.00 0.26 C ATOM 1431 CG1 VAL A 95 3.643 -0.649 2.026 1.00 0.54 C ATOM 1432 CG2 VAL A 95 2.652 0.264 -0.085 1.00 0.60 C ATOM 0 H VAL A 95 3.788 1.351 3.757 1.00 0.22 H new ATOM 0 HA VAL A 95 3.183 2.655 1.164 1.00 0.22 H new ATOM 0 HB VAL A 95 4.557 0.771 0.737 1.00 0.26 H new ATOM 0 HG11 VAL A 95 3.990 -1.513 1.459 1.00 0.54 H new ATOM 0 HG12 VAL A 95 4.344 -0.440 2.834 1.00 0.54 H new ATOM 0 HG13 VAL A 95 2.660 -0.862 2.446 1.00 0.54 H new ATOM 0 HG21 VAL A 95 3.014 -0.625 -0.601 1.00 0.60 H new ATOM 0 HG22 VAL A 95 1.634 0.092 0.264 1.00 0.60 H new ATOM 0 HG23 VAL A 95 2.663 1.111 -0.771 1.00 0.60 H new ATOM 1442 N LEU A 96 0.801 2.662 1.858 1.00 0.21 N ATOM 1443 CA LEU A 96 -0.552 2.752 2.358 1.00 0.26 C ATOM 1444 C LEU A 96 -1.582 2.635 1.247 1.00 0.24 C ATOM 1445 O LEU A 96 -1.505 3.314 0.226 1.00 0.38 O ATOM 1446 CB LEU A 96 -0.737 4.039 3.175 1.00 0.44 C ATOM 1447 CG LEU A 96 -0.268 5.336 2.509 1.00 0.61 C ATOM 1448 CD1 LEU A 96 -1.425 6.039 1.824 1.00 1.13 C ATOM 1449 CD2 LEU A 96 0.387 6.255 3.528 1.00 1.21 C ATOM 0 H LEU A 96 1.061 3.386 1.188 1.00 0.21 H new ATOM 0 HA LEU A 96 -0.720 1.903 3.020 1.00 0.26 H new ATOM 0 HB2 LEU A 96 -1.795 4.142 3.418 1.00 0.44 H new ATOM 0 HB3 LEU A 96 -0.203 3.926 4.118 1.00 0.44 H new ATOM 0 HG LEU A 96 0.472 5.080 1.751 1.00 0.61 H new ATOM 0 HD11 LEU A 96 -1.068 6.958 1.358 1.00 1.13 H new ATOM 0 HD12 LEU A 96 -1.847 5.385 1.061 1.00 1.13 H new ATOM 0 HD13 LEU A 96 -2.192 6.280 2.560 1.00 1.13 H new ATOM 0 HD21 LEU A 96 0.713 7.171 3.035 1.00 1.21 H new ATOM 0 HD22 LEU A 96 -0.331 6.500 4.311 1.00 1.21 H new ATOM 0 HD23 LEU A 96 1.248 5.754 3.969 1.00 1.21 H new ATOM 1461 N ILE A 97 -2.537 1.745 1.458 1.00 0.22 N ATOM 1462 CA ILE A 97 -3.626 1.554 0.524 1.00 0.24 C ATOM 1463 C ILE A 97 -4.830 2.380 0.955 1.00 0.26 C ATOM 1464 O ILE A 97 -5.426 2.127 2.004 1.00 0.28 O ATOM 1465 CB ILE A 97 -4.030 0.067 0.429 1.00 0.27 C ATOM 1466 CG1 ILE A 97 -2.828 -0.787 0.011 1.00 0.27 C ATOM 1467 CG2 ILE A 97 -5.179 -0.112 -0.555 1.00 0.33 C ATOM 1468 CD1 ILE A 97 -3.133 -2.269 -0.060 1.00 0.30 C ATOM 0 H ILE A 97 -2.577 1.139 2.278 1.00 0.22 H new ATOM 0 HA ILE A 97 -3.286 1.881 -0.459 1.00 0.24 H new ATOM 0 HB ILE A 97 -4.365 -0.264 1.412 1.00 0.27 H new ATOM 0 HG12 ILE A 97 -2.475 -0.450 -0.964 1.00 0.27 H new ATOM 0 HG13 ILE A 97 -2.014 -0.625 0.718 1.00 0.27 H new ATOM 0 HG21 ILE A 97 -5.451 -1.166 -0.609 1.00 0.33 H new ATOM 0 HG22 ILE A 97 -6.039 0.468 -0.219 1.00 0.33 H new ATOM 0 HG23 ILE A 97 -4.871 0.234 -1.541 1.00 0.33 H new ATOM 0 HD11 ILE A 97 -2.237 -2.811 -0.362 1.00 0.30 H new ATOM 0 HD12 ILE A 97 -3.457 -2.621 0.919 1.00 0.30 H new ATOM 0 HD13 ILE A 97 -3.925 -2.443 -0.789 1.00 0.30 H new ATOM 1480 N THR A 98 -5.157 3.381 0.161 1.00 0.29 N ATOM 1481 CA THR A 98 -6.292 4.239 0.442 1.00 0.33 C ATOM 1482 C THR A 98 -7.469 3.860 -0.444 1.00 0.28 C ATOM 1483 O THR A 98 -7.320 3.717 -1.661 1.00 0.37 O ATOM 1484 CB THR A 98 -5.943 5.721 0.214 1.00 0.43 C ATOM 1485 OG1 THR A 98 -5.418 5.896 -1.109 1.00 1.42 O ATOM 1486 CG2 THR A 98 -4.933 6.214 1.236 1.00 1.07 C ATOM 0 H THR A 98 -4.649 3.621 -0.690 1.00 0.29 H new ATOM 0 HA THR A 98 -6.559 4.101 1.490 1.00 0.33 H new ATOM 0 HB THR A 98 -6.855 6.306 0.329 1.00 0.43 H new ATOM 0 HG1 THR A 98 -5.199 6.840 -1.252 1.00 1.42 H new ATOM 0 HG21 THR A 98 -4.708 7.264 1.048 1.00 1.07 H new ATOM 0 HG22 THR A 98 -5.347 6.106 2.238 1.00 1.07 H new ATOM 0 HG23 THR A 98 -4.018 5.627 1.156 1.00 1.07 H new ATOM 1494 N CYS A 99 -8.627 3.690 0.162 1.00 0.28 N ATOM 1495 CA CYS A 99 -9.815 3.323 -0.581 1.00 0.29 C ATOM 1496 C CYS A 99 -10.792 4.489 -0.645 1.00 0.31 C ATOM 1497 O CYS A 99 -11.373 4.890 0.367 1.00 0.33 O ATOM 1498 CB CYS A 99 -10.475 2.107 0.054 1.00 0.36 C ATOM 1499 SG CYS A 99 -9.365 0.692 0.227 1.00 1.32 S ATOM 0 H CYS A 99 -8.770 3.800 1.166 1.00 0.28 H new ATOM 0 HA CYS A 99 -9.522 3.070 -1.600 1.00 0.29 H new ATOM 0 HB2 CYS A 99 -10.856 2.382 1.038 1.00 0.36 H new ATOM 0 HB3 CYS A 99 -11.334 1.813 -0.549 1.00 0.36 H new ATOM 0 HG CYS A 99 -9.629 -0.182 -0.698 1.00 1.32 H new ATOM 1505 N THR A 100 -10.959 5.023 -1.840 1.00 0.34 N ATOM 1506 CA THR A 100 -11.808 6.177 -2.056 1.00 0.38 C ATOM 1507 C THR A 100 -13.180 5.748 -2.571 1.00 0.37 C ATOM 1508 O THR A 100 -13.285 5.092 -3.608 1.00 0.41 O ATOM 1509 CB THR A 100 -11.167 7.137 -3.080 1.00 0.43 C ATOM 1510 OG1 THR A 100 -9.776 7.316 -2.790 1.00 0.47 O ATOM 1511 CG2 THR A 100 -11.860 8.489 -3.070 1.00 0.50 C ATOM 0 H THR A 100 -10.511 4.670 -2.685 1.00 0.34 H new ATOM 0 HA THR A 100 -11.923 6.688 -1.100 1.00 0.38 H new ATOM 0 HB THR A 100 -11.280 6.692 -4.069 1.00 0.43 H new ATOM 0 HG1 THR A 100 -9.272 7.377 -3.628 1.00 0.47 H new ATOM 0 HG21 THR A 100 -11.388 9.145 -3.801 1.00 0.50 H new ATOM 0 HG22 THR A 100 -12.912 8.360 -3.324 1.00 0.50 H new ATOM 0 HG23 THR A 100 -11.778 8.933 -2.078 1.00 0.50 H new ATOM 1519 N TYR A 101 -14.227 6.103 -1.844 1.00 0.37 N ATOM 1520 CA TYR A 101 -15.581 5.857 -2.305 1.00 0.40 C ATOM 1521 C TYR A 101 -16.387 7.147 -2.230 1.00 0.44 C ATOM 1522 O TYR A 101 -16.486 7.757 -1.166 1.00 0.44 O ATOM 1523 CB TYR A 101 -16.241 4.755 -1.476 1.00 0.41 C ATOM 1524 CG TYR A 101 -17.649 4.426 -1.912 1.00 0.43 C ATOM 1525 CD1 TYR A 101 -17.902 3.862 -3.157 1.00 0.53 C ATOM 1526 CD2 TYR A 101 -18.723 4.671 -1.074 1.00 0.68 C ATOM 1527 CE1 TYR A 101 -19.190 3.555 -3.551 1.00 0.58 C ATOM 1528 CE2 TYR A 101 -20.009 4.367 -1.461 1.00 0.73 C ATOM 1529 CZ TYR A 101 -20.241 3.811 -2.697 1.00 0.56 C ATOM 1530 OH TYR A 101 -21.531 3.506 -3.073 1.00 0.65 O ATOM 0 H TYR A 101 -14.164 6.561 -0.935 1.00 0.37 H new ATOM 0 HA TYR A 101 -15.549 5.520 -3.341 1.00 0.40 H new ATOM 0 HB2 TYR A 101 -15.632 3.853 -1.536 1.00 0.41 H new ATOM 0 HB3 TYR A 101 -16.256 5.060 -0.430 1.00 0.41 H new ATOM 0 HD1 TYR A 101 -17.079 3.661 -3.827 1.00 0.53 H new ATOM 0 HD2 TYR A 101 -18.550 5.107 -0.101 1.00 0.68 H new ATOM 0 HE1 TYR A 101 -19.372 3.117 -4.521 1.00 0.58 H new ATOM 0 HE2 TYR A 101 -20.835 4.565 -0.794 1.00 0.73 H new ATOM 0 HH TYR A 101 -22.161 3.919 -2.446 1.00 0.65 H new ATOM 1540 N ARG A 102 -16.931 7.569 -3.373 1.00 0.52 N ATOM 1541 CA ARG A 102 -17.664 8.835 -3.484 1.00 0.59 C ATOM 1542 C ARG A 102 -16.734 10.028 -3.269 1.00 0.57 C ATOM 1543 O ARG A 102 -17.190 11.136 -2.988 1.00 0.64 O ATOM 1544 CB ARG A 102 -18.831 8.900 -2.485 1.00 0.65 C ATOM 1545 CG ARG A 102 -19.937 7.892 -2.757 1.00 0.75 C ATOM 1546 CD ARG A 102 -20.594 8.128 -4.108 1.00 0.86 C ATOM 1547 NE ARG A 102 -21.219 9.451 -4.203 1.00 1.26 N ATOM 1548 CZ ARG A 102 -21.422 10.092 -5.356 1.00 1.58 C ATOM 1549 NH1 ARG A 102 -21.034 9.540 -6.497 1.00 1.51 N ATOM 1550 NH2 ARG A 102 -22.011 11.281 -5.368 1.00 2.45 N ATOM 0 H ARG A 102 -16.877 7.045 -4.247 1.00 0.52 H new ATOM 0 HA ARG A 102 -18.071 8.881 -4.494 1.00 0.59 H new ATOM 0 HB2 ARG A 102 -18.444 8.736 -1.479 1.00 0.65 H new ATOM 0 HB3 ARG A 102 -19.256 9.904 -2.504 1.00 0.65 H new ATOM 0 HG2 ARG A 102 -19.526 6.883 -2.724 1.00 0.75 H new ATOM 0 HG3 ARG A 102 -20.689 7.956 -1.971 1.00 0.75 H new ATOM 0 HD2 ARG A 102 -19.847 8.025 -4.895 1.00 0.86 H new ATOM 0 HD3 ARG A 102 -21.348 7.360 -4.281 1.00 0.86 H new ATOM 0 HE ARG A 102 -21.515 9.907 -3.340 1.00 1.26 H new ATOM 0 HH11 ARG A 102 -20.581 8.626 -6.493 1.00 1.51 H new ATOM 0 HH12 ARG A 102 -21.189 10.029 -7.379 1.00 1.51 H new ATOM 0 HH21 ARG A 102 -22.311 11.710 -4.493 1.00 2.45 H new ATOM 0 HH22 ARG A 102 -22.163 11.766 -6.252 1.00 2.45 H new ATOM 1564 N GLY A 103 -15.430 9.803 -3.414 1.00 0.52 N ATOM 1565 CA GLY A 103 -14.464 10.855 -3.163 1.00 0.53 C ATOM 1566 C GLY A 103 -14.093 10.918 -1.698 1.00 0.49 C ATOM 1567 O GLY A 103 -13.308 11.764 -1.274 1.00 0.57 O ATOM 0 H GLY A 103 -15.027 8.911 -3.701 1.00 0.52 H new ATOM 0 HA2 GLY A 103 -13.569 10.681 -3.760 1.00 0.53 H new ATOM 0 HA3 GLY A 103 -14.876 11.814 -3.478 1.00 0.53 H new ATOM 1571 N GLN A 104 -14.667 10.004 -0.928 1.00 0.45 N ATOM 1572 CA GLN A 104 -14.448 9.938 0.506 1.00 0.44 C ATOM 1573 C GLN A 104 -13.729 8.643 0.862 1.00 0.37 C ATOM 1574 O GLN A 104 -14.192 7.556 0.523 1.00 0.37 O ATOM 1575 CB GLN A 104 -15.792 10.011 1.233 1.00 0.51 C ATOM 1576 CG GLN A 104 -16.574 11.280 0.920 1.00 0.66 C ATOM 1577 CD GLN A 104 -17.935 11.342 1.591 1.00 0.89 C ATOM 1578 OE1 GLN A 104 -18.411 12.422 1.942 1.00 1.31 O ATOM 1579 NE2 GLN A 104 -18.590 10.202 1.756 1.00 0.98 N ATOM 0 H GLN A 104 -15.299 9.287 -1.283 1.00 0.45 H new ATOM 0 HA GLN A 104 -13.828 10.780 0.816 1.00 0.44 H new ATOM 0 HB2 GLN A 104 -16.394 9.144 0.959 1.00 0.51 H new ATOM 0 HB3 GLN A 104 -15.620 9.953 2.308 1.00 0.51 H new ATOM 0 HG2 GLN A 104 -15.986 12.144 1.231 1.00 0.66 H new ATOM 0 HG3 GLN A 104 -16.707 11.357 -0.159 1.00 0.66 H new ATOM 0 HE21 GLN A 104 -18.169 9.323 1.455 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -19.516 10.203 2.184 1.00 0.98 H new ATOM 1588 N GLU A 105 -12.595 8.758 1.526 1.00 0.36 N ATOM 1589 CA GLU A 105 -11.824 7.587 1.915 1.00 0.32 C ATOM 1590 C GLU A 105 -12.358 7.003 3.212 1.00 0.32 C ATOM 1591 O GLU A 105 -12.533 7.716 4.198 1.00 0.43 O ATOM 1592 CB GLU A 105 -10.355 7.954 2.056 1.00 0.40 C ATOM 1593 CG GLU A 105 -9.695 8.285 0.729 1.00 0.49 C ATOM 1594 CD GLU A 105 -8.378 9.005 0.912 1.00 0.99 C ATOM 1595 OE1 GLU A 105 -7.534 8.517 1.692 1.00 1.59 O ATOM 1596 OE2 GLU A 105 -8.196 10.082 0.307 1.00 1.28 O ATOM 0 H GLU A 105 -12.185 9.648 1.808 1.00 0.36 H new ATOM 0 HA GLU A 105 -11.921 6.829 1.137 1.00 0.32 H new ATOM 0 HB2 GLU A 105 -10.263 8.810 2.725 1.00 0.40 H new ATOM 0 HB3 GLU A 105 -9.823 7.126 2.523 1.00 0.40 H new ATOM 0 HG2 GLU A 105 -9.530 7.365 0.168 1.00 0.49 H new ATOM 0 HG3 GLU A 105 -10.367 8.905 0.135 1.00 0.49 H new ATOM 1603 N PHE A 106 -12.620 5.706 3.201 1.00 0.26 N ATOM 1604 CA PHE A 106 -13.221 5.036 4.351 1.00 0.27 C ATOM 1605 C PHE A 106 -12.231 4.117 5.057 1.00 0.26 C ATOM 1606 O PHE A 106 -12.508 3.614 6.141 1.00 0.29 O ATOM 1607 CB PHE A 106 -14.450 4.236 3.917 1.00 0.27 C ATOM 1608 CG PHE A 106 -14.187 3.272 2.794 1.00 0.26 C ATOM 1609 CD1 PHE A 106 -14.341 3.673 1.479 1.00 0.27 C ATOM 1610 CD2 PHE A 106 -13.798 1.967 3.054 1.00 0.28 C ATOM 1611 CE1 PHE A 106 -14.110 2.794 0.443 1.00 0.29 C ATOM 1612 CE2 PHE A 106 -13.568 1.081 2.019 1.00 0.31 C ATOM 1613 CZ PHE A 106 -13.725 1.497 0.712 1.00 0.31 C ATOM 0 H PHE A 106 -12.427 5.093 2.409 1.00 0.26 H new ATOM 0 HA PHE A 106 -13.520 5.811 5.057 1.00 0.27 H new ATOM 0 HB2 PHE A 106 -14.832 3.683 4.775 1.00 0.27 H new ATOM 0 HB3 PHE A 106 -15.233 4.930 3.611 1.00 0.27 H new ATOM 0 HD1 PHE A 106 -14.646 4.686 1.262 1.00 0.27 H new ATOM 0 HD2 PHE A 106 -13.674 1.640 4.076 1.00 0.28 H new ATOM 0 HE1 PHE A 106 -14.230 3.121 -0.579 1.00 0.29 H new ATOM 0 HE2 PHE A 106 -13.266 0.066 2.232 1.00 0.31 H new ATOM 0 HZ PHE A 106 -13.546 0.807 -0.100 1.00 0.31 H new ATOM 1623 N ILE A 107 -11.098 3.867 4.430 1.00 0.24 N ATOM 1624 CA ILE A 107 -10.069 3.045 5.041 1.00 0.24 C ATOM 1625 C ILE A 107 -8.702 3.388 4.466 1.00 0.22 C ATOM 1626 O ILE A 107 -8.585 3.795 3.307 1.00 0.25 O ATOM 1627 CB ILE A 107 -10.347 1.529 4.882 1.00 0.28 C ATOM 1628 CG1 ILE A 107 -9.384 0.716 5.760 1.00 0.29 C ATOM 1629 CG2 ILE A 107 -10.232 1.107 3.426 1.00 0.30 C ATOM 1630 CD1 ILE A 107 -9.505 -0.784 5.579 1.00 0.37 C ATOM 0 H ILE A 107 -10.866 4.219 3.501 1.00 0.24 H new ATOM 0 HA ILE A 107 -10.081 3.266 6.108 1.00 0.24 H new ATOM 0 HB ILE A 107 -11.367 1.331 5.210 1.00 0.28 H new ATOM 0 HG12 ILE A 107 -8.361 1.018 5.536 1.00 0.29 H new ATOM 0 HG13 ILE A 107 -9.567 0.962 6.806 1.00 0.29 H new ATOM 0 HG21 ILE A 107 -10.431 0.039 3.340 1.00 0.30 H new ATOM 0 HG22 ILE A 107 -10.956 1.661 2.828 1.00 0.30 H new ATOM 0 HG23 ILE A 107 -9.226 1.319 3.064 1.00 0.30 H new ATOM 0 HD11 ILE A 107 -8.793 -1.288 6.232 1.00 0.37 H new ATOM 0 HD12 ILE A 107 -10.517 -1.101 5.832 1.00 0.37 H new ATOM 0 HD13 ILE A 107 -9.292 -1.044 4.542 1.00 0.37 H new ATOM 1642 N ARG A 108 -7.686 3.243 5.292 1.00 0.23 N ATOM 1643 CA ARG A 108 -6.318 3.442 4.882 1.00 0.24 C ATOM 1644 C ARG A 108 -5.434 2.376 5.517 1.00 0.24 C ATOM 1645 O ARG A 108 -5.308 2.315 6.742 1.00 0.29 O ATOM 1646 CB ARG A 108 -5.857 4.824 5.311 1.00 0.29 C ATOM 1647 CG ARG A 108 -4.388 5.076 5.074 1.00 0.34 C ATOM 1648 CD ARG A 108 -3.931 6.297 5.838 1.00 0.58 C ATOM 1649 NE ARG A 108 -4.172 6.169 7.276 1.00 0.60 N ATOM 1650 CZ ARG A 108 -3.783 7.086 8.166 1.00 0.88 C ATOM 1651 NH1 ARG A 108 -3.302 8.250 7.749 1.00 1.14 N ATOM 1652 NH2 ARG A 108 -3.915 6.861 9.468 1.00 0.95 N ATOM 0 H ARG A 108 -7.791 2.982 6.272 1.00 0.23 H new ATOM 0 HA ARG A 108 -6.246 3.362 3.797 1.00 0.24 H new ATOM 0 HB2 ARG A 108 -6.436 5.574 4.772 1.00 0.29 H new ATOM 0 HB3 ARG A 108 -6.072 4.956 6.371 1.00 0.29 H new ATOM 0 HG2 ARG A 108 -3.809 4.207 5.386 1.00 0.34 H new ATOM 0 HG3 ARG A 108 -4.204 5.216 4.009 1.00 0.34 H new ATOM 0 HD2 ARG A 108 -2.867 6.457 5.662 1.00 0.58 H new ATOM 0 HD3 ARG A 108 -4.452 7.177 5.460 1.00 0.58 H new ATOM 0 HE ARG A 108 -4.660 5.340 7.615 1.00 0.60 H new ATOM 0 HH11 ARG A 108 -3.230 8.444 6.750 1.00 1.14 H new ATOM 0 HH12 ARG A 108 -3.005 8.951 8.427 1.00 1.14 H new ATOM 0 HH21 ARG A 108 -4.316 5.982 9.796 1.00 0.95 H new ATOM 0 HH22 ARG A 108 -3.615 7.567 10.141 1.00 0.95 H new ATOM 1666 N VAL A 109 -4.843 1.537 4.685 1.00 0.22 N ATOM 1667 CA VAL A 109 -3.977 0.466 5.163 1.00 0.22 C ATOM 1668 C VAL A 109 -2.515 0.889 5.121 1.00 0.24 C ATOM 1669 O VAL A 109 -1.920 0.956 4.053 1.00 0.38 O ATOM 1670 CB VAL A 109 -4.148 -0.816 4.325 1.00 0.24 C ATOM 1671 CG1 VAL A 109 -3.130 -1.868 4.742 1.00 0.27 C ATOM 1672 CG2 VAL A 109 -5.564 -1.357 4.450 1.00 0.27 C ATOM 0 H VAL A 109 -4.946 1.574 3.671 1.00 0.22 H new ATOM 0 HA VAL A 109 -4.269 0.259 6.193 1.00 0.22 H new ATOM 0 HB VAL A 109 -3.972 -0.566 3.279 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -3.267 -2.766 4.139 1.00 0.27 H new ATOM 0 HG12 VAL A 109 -2.123 -1.480 4.591 1.00 0.27 H new ATOM 0 HG13 VAL A 109 -3.271 -2.113 5.795 1.00 0.27 H new ATOM 0 HG21 VAL A 109 -5.662 -2.262 3.850 1.00 0.27 H new ATOM 0 HG22 VAL A 109 -5.774 -1.589 5.494 1.00 0.27 H new ATOM 0 HG23 VAL A 109 -6.272 -0.608 4.095 1.00 0.27 H new ATOM 1682 N GLY A 110 -1.947 1.169 6.281 1.00 0.22 N ATOM 1683 CA GLY A 110 -0.562 1.588 6.348 1.00 0.25 C ATOM 1684 C GLY A 110 0.370 0.457 6.728 1.00 0.21 C ATOM 1685 O GLY A 110 0.389 0.018 7.875 1.00 0.27 O ATOM 0 H GLY A 110 -2.421 1.114 7.182 1.00 0.22 H new ATOM 0 HA2 GLY A 110 -0.261 1.993 5.382 1.00 0.25 H new ATOM 0 HA3 GLY A 110 -0.465 2.394 7.075 1.00 0.25 H new ATOM 1689 N TYR A 111 1.129 -0.027 5.765 1.00 0.23 N ATOM 1690 CA TYR A 111 2.132 -1.048 6.025 1.00 0.24 C ATOM 1691 C TYR A 111 3.519 -0.433 6.056 1.00 0.23 C ATOM 1692 O TYR A 111 3.899 0.309 5.157 1.00 0.27 O ATOM 1693 CB TYR A 111 2.072 -2.158 4.976 1.00 0.32 C ATOM 1694 CG TYR A 111 1.083 -3.244 5.320 1.00 0.27 C ATOM 1695 CD1 TYR A 111 1.284 -4.079 6.410 1.00 0.29 C ATOM 1696 CD2 TYR A 111 -0.053 -3.435 4.545 1.00 0.30 C ATOM 1697 CE1 TYR A 111 0.379 -5.078 6.718 1.00 0.32 C ATOM 1698 CE2 TYR A 111 -0.960 -4.430 4.844 1.00 0.32 C ATOM 1699 CZ TYR A 111 -0.731 -5.242 5.977 1.00 0.33 C ATOM 1700 OH TYR A 111 -1.647 -6.241 6.222 1.00 0.40 O ATOM 0 H TYR A 111 1.072 0.270 4.791 1.00 0.23 H new ATOM 0 HA TYR A 111 1.918 -1.487 6.999 1.00 0.24 H new ATOM 0 HB2 TYR A 111 1.806 -1.725 4.012 1.00 0.32 H new ATOM 0 HB3 TYR A 111 3.063 -2.599 4.865 1.00 0.32 H new ATOM 0 HD1 TYR A 111 2.160 -3.947 7.027 1.00 0.29 H new ATOM 0 HD2 TYR A 111 -0.229 -2.794 3.694 1.00 0.30 H new ATOM 0 HE1 TYR A 111 0.565 -5.730 7.559 1.00 0.32 H new ATOM 0 HE2 TYR A 111 -1.830 -4.586 4.223 1.00 0.32 H new ATOM 0 HH TYR A 111 -1.631 -6.887 5.485 1.00 0.40 H new ATOM 1710 N TYR A 112 4.262 -0.733 7.102 1.00 0.25 N ATOM 1711 CA TYR A 112 5.609 -0.214 7.246 1.00 0.25 C ATOM 1712 C TYR A 112 6.603 -1.174 6.614 1.00 0.27 C ATOM 1713 O TYR A 112 6.733 -2.314 7.044 1.00 0.33 O ATOM 1714 CB TYR A 112 5.943 0.010 8.724 1.00 0.29 C ATOM 1715 CG TYR A 112 5.079 1.060 9.390 1.00 0.37 C ATOM 1716 CD1 TYR A 112 3.780 0.767 9.786 1.00 0.50 C ATOM 1717 CD2 TYR A 112 5.564 2.342 9.628 1.00 0.48 C ATOM 1718 CE1 TYR A 112 2.989 1.720 10.397 1.00 0.62 C ATOM 1719 CE2 TYR A 112 4.779 3.300 10.240 1.00 0.60 C ATOM 1720 CZ TYR A 112 3.493 2.996 10.601 1.00 0.64 C ATOM 1721 OH TYR A 112 2.708 3.932 11.239 1.00 0.78 O ATOM 0 H TYR A 112 3.956 -1.335 7.867 1.00 0.25 H new ATOM 0 HA TYR A 112 5.673 0.746 6.734 1.00 0.25 H new ATOM 0 HB2 TYR A 112 5.832 -0.933 9.260 1.00 0.29 H new ATOM 0 HB3 TYR A 112 6.989 0.304 8.811 1.00 0.29 H new ATOM 0 HD1 TYR A 112 3.382 -0.222 9.613 1.00 0.50 H new ATOM 0 HD2 TYR A 112 6.571 2.593 9.329 1.00 0.48 H new ATOM 0 HE1 TYR A 112 1.986 1.474 10.713 1.00 0.62 H new ATOM 0 HE2 TYR A 112 5.178 4.285 10.433 1.00 0.60 H new ATOM 0 HH TYR A 112 3.199 4.777 11.309 1.00 0.78 H new ATOM 1731 N VAL A 113 7.286 -0.722 5.582 1.00 0.27 N ATOM 1732 CA VAL A 113 8.241 -1.561 4.884 1.00 0.31 C ATOM 1733 C VAL A 113 9.671 -1.234 5.305 1.00 0.28 C ATOM 1734 O VAL A 113 10.095 -0.079 5.276 1.00 0.31 O ATOM 1735 CB VAL A 113 8.101 -1.440 3.347 1.00 0.42 C ATOM 1736 CG1 VAL A 113 8.136 0.013 2.897 1.00 0.96 C ATOM 1737 CG2 VAL A 113 9.192 -2.238 2.654 1.00 1.19 C ATOM 0 H VAL A 113 7.198 0.223 5.207 1.00 0.27 H new ATOM 0 HA VAL A 113 8.019 -2.591 5.163 1.00 0.31 H new ATOM 0 HB VAL A 113 7.131 -1.850 3.066 1.00 0.42 H new ATOM 0 HG11 VAL A 113 8.035 0.061 1.813 1.00 0.96 H new ATOM 0 HG12 VAL A 113 7.314 0.558 3.362 1.00 0.96 H new ATOM 0 HG13 VAL A 113 9.084 0.463 3.193 1.00 0.96 H new ATOM 0 HG21 VAL A 113 9.081 -2.144 1.574 1.00 1.19 H new ATOM 0 HG22 VAL A 113 10.168 -1.856 2.953 1.00 1.19 H new ATOM 0 HG23 VAL A 113 9.111 -3.287 2.937 1.00 1.19 H new ATOM 1747 N ASN A 114 10.401 -2.258 5.712 1.00 0.29 N ATOM 1748 CA ASN A 114 11.793 -2.101 6.084 1.00 0.32 C ATOM 1749 C ASN A 114 12.688 -2.445 4.906 1.00 0.32 C ATOM 1750 O ASN A 114 12.796 -3.605 4.511 1.00 0.35 O ATOM 1751 CB ASN A 114 12.132 -2.983 7.288 1.00 0.42 C ATOM 1752 CG ASN A 114 12.554 -2.178 8.505 1.00 0.84 C ATOM 1753 OD1 ASN A 114 12.302 -2.574 9.646 1.00 1.63 O ATOM 1754 ND2 ASN A 114 13.197 -1.042 8.275 1.00 1.28 N ATOM 0 H ASN A 114 10.049 -3.212 5.793 1.00 0.29 H new ATOM 0 HA ASN A 114 11.964 -1.062 6.364 1.00 0.32 H new ATOM 0 HB2 ASN A 114 11.264 -3.591 7.543 1.00 0.42 H new ATOM 0 HB3 ASN A 114 12.934 -3.669 7.016 1.00 0.42 H new ATOM 0 HD21 ASN A 114 13.502 -0.461 9.056 1.00 1.28 H new ATOM 0 HD22 ASN A 114 13.387 -0.748 7.317 1.00 1.28 H new ATOM 1761 N ASN A 115 13.315 -1.430 4.346 1.00 0.34 N ATOM 1762 CA ASN A 115 14.149 -1.591 3.169 1.00 0.39 C ATOM 1763 C ASN A 115 15.603 -1.787 3.571 1.00 0.43 C ATOM 1764 O ASN A 115 16.194 -0.945 4.244 1.00 0.50 O ATOM 1765 CB ASN A 115 14.009 -0.380 2.248 1.00 0.48 C ATOM 1766 CG ASN A 115 12.632 -0.281 1.616 1.00 0.50 C ATOM 1767 OD1 ASN A 115 11.993 -1.293 1.325 1.00 0.95 O ATOM 1768 ND2 ASN A 115 12.161 0.941 1.412 1.00 0.60 N ATOM 0 H ASN A 115 13.262 -0.472 4.692 1.00 0.34 H new ATOM 0 HA ASN A 115 13.818 -2.478 2.628 1.00 0.39 H new ATOM 0 HB2 ASN A 115 14.210 0.528 2.816 1.00 0.48 H new ATOM 0 HB3 ASN A 115 14.762 -0.437 1.462 1.00 0.48 H new ATOM 0 HD21 ASN A 115 11.237 1.069 1.000 1.00 0.60 H new ATOM 0 HD22 ASN A 115 12.723 1.753 1.667 1.00 0.60 H new ATOM 1775 N GLU A 116 16.157 -2.910 3.156 1.00 0.42 N ATOM 1776 CA GLU A 116 17.524 -3.296 3.496 1.00 0.50 C ATOM 1777 C GLU A 116 18.223 -3.822 2.252 1.00 0.45 C ATOM 1778 O GLU A 116 17.584 -4.447 1.411 1.00 0.54 O ATOM 1779 CB GLU A 116 17.504 -4.394 4.566 1.00 0.69 C ATOM 1780 CG GLU A 116 16.877 -3.965 5.881 1.00 1.26 C ATOM 1781 CD GLU A 116 17.868 -3.329 6.833 1.00 1.58 C ATOM 1782 OE1 GLU A 116 18.766 -2.589 6.377 1.00 1.97 O ATOM 1783 OE2 GLU A 116 17.751 -3.569 8.053 1.00 1.87 O ATOM 0 H GLU A 116 15.672 -3.589 2.569 1.00 0.42 H new ATOM 0 HA GLU A 116 18.057 -2.427 3.881 1.00 0.50 H new ATOM 0 HB2 GLU A 116 16.958 -5.254 4.179 1.00 0.69 H new ATOM 0 HB3 GLU A 116 18.526 -4.723 4.753 1.00 0.69 H new ATOM 0 HG2 GLU A 116 16.072 -3.259 5.679 1.00 1.26 H new ATOM 0 HG3 GLU A 116 16.426 -4.833 6.362 1.00 1.26 H new ATOM 1790 N TYR A 117 19.519 -3.562 2.121 1.00 0.46 N ATOM 1791 CA TYR A 117 20.284 -4.081 1.004 1.00 0.46 C ATOM 1792 C TYR A 117 20.266 -5.605 1.006 1.00 0.52 C ATOM 1793 O TYR A 117 20.330 -6.241 2.060 1.00 0.60 O ATOM 1794 CB TYR A 117 21.730 -3.579 1.056 1.00 0.48 C ATOM 1795 CG TYR A 117 21.875 -2.078 0.906 1.00 0.48 C ATOM 1796 CD1 TYR A 117 21.429 -1.428 -0.238 1.00 0.55 C ATOM 1797 CD2 TYR A 117 22.472 -1.314 1.903 1.00 0.54 C ATOM 1798 CE1 TYR A 117 21.573 -0.061 -0.385 1.00 0.61 C ATOM 1799 CE2 TYR A 117 22.623 0.053 1.763 1.00 0.59 C ATOM 1800 CZ TYR A 117 22.170 0.673 0.618 1.00 0.60 C ATOM 1801 OH TYR A 117 22.321 2.034 0.469 1.00 0.69 O ATOM 0 H TYR A 117 20.057 -2.995 2.776 1.00 0.46 H new ATOM 0 HA TYR A 117 19.822 -3.722 0.084 1.00 0.46 H new ATOM 0 HB2 TYR A 117 22.174 -3.882 2.004 1.00 0.48 H new ATOM 0 HB3 TYR A 117 22.301 -4.068 0.267 1.00 0.48 H new ATOM 0 HD1 TYR A 117 20.962 -2.000 -1.026 1.00 0.55 H new ATOM 0 HD2 TYR A 117 22.824 -1.797 2.803 1.00 0.54 H new ATOM 0 HE1 TYR A 117 21.220 0.429 -1.280 1.00 0.61 H new ATOM 0 HE2 TYR A 117 23.093 0.631 2.545 1.00 0.59 H new ATOM 0 HH TYR A 117 22.759 2.404 1.264 1.00 0.69 H new ATOM 1811 N THR A 118 20.180 -6.181 -0.177 1.00 0.54 N ATOM 1812 CA THR A 118 20.198 -7.617 -0.329 1.00 0.65 C ATOM 1813 C THR A 118 21.610 -8.098 -0.116 1.00 0.74 C ATOM 1814 O THR A 118 21.860 -9.111 0.540 1.00 0.84 O ATOM 1815 CB THR A 118 19.725 -8.036 -1.734 1.00 0.67 C ATOM 1816 OG1 THR A 118 20.433 -7.285 -2.733 1.00 0.66 O ATOM 1817 CG2 THR A 118 18.230 -7.819 -1.896 1.00 0.77 C ATOM 0 H THR A 118 20.096 -5.667 -1.054 1.00 0.54 H new ATOM 0 HA THR A 118 19.520 -8.059 0.401 1.00 0.65 H new ATOM 0 HB THR A 118 19.934 -9.099 -1.859 1.00 0.67 H new ATOM 0 HG1 THR A 118 21.202 -7.804 -3.048 1.00 0.66 H new ATOM 0 HG21 THR A 118 17.925 -8.123 -2.897 1.00 0.77 H new ATOM 0 HG22 THR A 118 17.694 -8.414 -1.156 1.00 0.77 H new ATOM 0 HG23 THR A 118 17.998 -6.764 -1.751 1.00 0.77 H new ATOM 1825 N GLU A 119 22.532 -7.319 -0.648 1.00 0.78 N ATOM 1826 CA GLU A 119 23.934 -7.641 -0.571 1.00 0.92 C ATOM 1827 C GLU A 119 24.454 -7.312 0.814 1.00 0.95 C ATOM 1828 O GLU A 119 24.399 -6.156 1.239 1.00 0.90 O ATOM 1829 CB GLU A 119 24.718 -6.862 -1.619 1.00 1.00 C ATOM 1830 CG GLU A 119 24.047 -6.863 -2.974 1.00 1.29 C ATOM 1831 CD GLU A 119 23.847 -8.251 -3.539 1.00 1.50 C ATOM 1832 OE1 GLU A 119 24.839 -8.885 -3.942 1.00 1.67 O ATOM 1833 OE2 GLU A 119 22.686 -8.706 -3.591 1.00 2.24 O ATOM 0 H GLU A 119 22.327 -6.451 -1.142 1.00 0.78 H new ATOM 0 HA GLU A 119 24.063 -8.706 -0.764 1.00 0.92 H new ATOM 0 HB2 GLU A 119 24.843 -5.833 -1.282 1.00 1.00 H new ATOM 0 HB3 GLU A 119 25.716 -7.291 -1.713 1.00 1.00 H new ATOM 0 HG2 GLU A 119 23.079 -6.368 -2.893 1.00 1.29 H new ATOM 0 HG3 GLU A 119 24.648 -6.278 -3.670 1.00 1.29 H new ATOM 1840 N THR A 120 24.946 -8.318 1.517 1.00 1.07 N ATOM 1841 CA THR A 120 25.534 -8.108 2.830 1.00 1.14 C ATOM 1842 C THR A 120 26.661 -7.085 2.722 1.00 1.12 C ATOM 1843 O THR A 120 26.869 -6.273 3.619 1.00 1.13 O ATOM 1844 CB THR A 120 26.078 -9.427 3.411 1.00 1.31 C ATOM 1845 OG1 THR A 120 25.085 -10.457 3.282 1.00 1.36 O ATOM 1846 CG2 THR A 120 26.453 -9.267 4.878 1.00 1.41 C ATOM 0 H THR A 120 24.950 -9.288 1.201 1.00 1.07 H new ATOM 0 HA THR A 120 24.760 -7.736 3.502 1.00 1.14 H new ATOM 0 HB THR A 120 26.974 -9.701 2.854 1.00 1.31 H new ATOM 0 HG1 THR A 120 25.434 -11.295 3.651 1.00 1.36 H new ATOM 0 HG21 THR A 120 26.834 -10.214 5.262 1.00 1.41 H new ATOM 0 HG22 THR A 120 27.222 -8.500 4.976 1.00 1.41 H new ATOM 0 HG23 THR A 120 25.572 -8.972 5.449 1.00 1.41 H new ATOM 1854 N GLU A 121 27.341 -7.107 1.578 1.00 1.13 N ATOM 1855 CA GLU A 121 28.420 -6.176 1.279 1.00 1.14 C ATOM 1856 C GLU A 121 27.927 -4.728 1.382 1.00 1.03 C ATOM 1857 O GLU A 121 28.594 -3.878 1.976 1.00 1.09 O ATOM 1858 CB GLU A 121 28.965 -6.479 -0.127 1.00 1.18 C ATOM 1859 CG GLU A 121 30.353 -5.930 -0.417 1.00 1.27 C ATOM 1860 CD GLU A 121 30.362 -4.457 -0.771 1.00 1.56 C ATOM 1861 OE1 GLU A 121 29.784 -4.093 -1.816 1.00 2.21 O ATOM 1862 OE2 GLU A 121 30.964 -3.661 -0.020 1.00 2.05 O ATOM 0 H GLU A 121 27.156 -7.776 0.830 1.00 1.13 H new ATOM 0 HA GLU A 121 29.223 -6.299 2.006 1.00 1.14 H new ATOM 0 HB2 GLU A 121 28.983 -7.560 -0.267 1.00 1.18 H new ATOM 0 HB3 GLU A 121 28.271 -6.074 -0.863 1.00 1.18 H new ATOM 0 HG2 GLU A 121 30.987 -6.089 0.455 1.00 1.27 H new ATOM 0 HG3 GLU A 121 30.794 -6.495 -1.238 1.00 1.27 H new ATOM 1869 N LEU A 122 26.735 -4.455 0.856 1.00 0.90 N ATOM 1870 CA LEU A 122 26.222 -3.094 0.857 1.00 0.82 C ATOM 1871 C LEU A 122 25.644 -2.734 2.218 1.00 0.82 C ATOM 1872 O LEU A 122 25.479 -1.560 2.538 1.00 0.83 O ATOM 1873 CB LEU A 122 25.180 -2.903 -0.243 1.00 0.75 C ATOM 1874 CG LEU A 122 25.724 -3.017 -1.666 1.00 0.82 C ATOM 1875 CD1 LEU A 122 24.626 -2.744 -2.676 1.00 0.88 C ATOM 1876 CD2 LEU A 122 26.887 -2.058 -1.871 1.00 0.87 C ATOM 0 H LEU A 122 26.118 -5.147 0.431 1.00 0.90 H new ATOM 0 HA LEU A 122 27.054 -2.420 0.654 1.00 0.82 H new ATOM 0 HB2 LEU A 122 24.391 -3.644 -0.110 1.00 0.75 H new ATOM 0 HB3 LEU A 122 24.720 -1.922 -0.122 1.00 0.75 H new ATOM 0 HG LEU A 122 26.087 -4.034 -1.816 1.00 0.82 H new ATOM 0 HD11 LEU A 122 25.030 -2.829 -3.685 1.00 0.88 H new ATOM 0 HD12 LEU A 122 23.822 -3.469 -2.545 1.00 0.88 H new ATOM 0 HD13 LEU A 122 24.235 -1.738 -2.526 1.00 0.88 H new ATOM 0 HD21 LEU A 122 27.262 -2.153 -2.890 1.00 0.87 H new ATOM 0 HD22 LEU A 122 26.549 -1.035 -1.702 1.00 0.87 H new ATOM 0 HD23 LEU A 122 27.684 -2.297 -1.167 1.00 0.87 H new ATOM 1888 N ARG A 123 25.342 -3.747 3.017 1.00 0.86 N ATOM 1889 CA ARG A 123 24.887 -3.524 4.382 1.00 0.94 C ATOM 1890 C ARG A 123 26.086 -3.211 5.267 1.00 1.11 C ATOM 1891 O ARG A 123 25.970 -2.508 6.273 1.00 1.19 O ATOM 1892 CB ARG A 123 24.143 -4.751 4.910 1.00 0.98 C ATOM 1893 CG ARG A 123 23.003 -5.182 4.007 1.00 0.89 C ATOM 1894 CD ARG A 123 22.314 -6.439 4.510 1.00 1.00 C ATOM 1895 NE ARG A 123 21.398 -6.177 5.622 1.00 1.20 N ATOM 1896 CZ ARG A 123 20.393 -6.987 5.950 1.00 1.56 C ATOM 1897 NH1 ARG A 123 20.190 -8.101 5.258 1.00 1.82 N ATOM 1898 NH2 ARG A 123 19.596 -6.682 6.966 1.00 2.03 N ATOM 0 H ARG A 123 25.403 -4.728 2.745 1.00 0.86 H new ATOM 0 HA ARG A 123 24.197 -2.680 4.394 1.00 0.94 H new ATOM 0 HB2 ARG A 123 24.846 -5.577 5.019 1.00 0.98 H new ATOM 0 HB3 ARG A 123 23.751 -4.533 5.903 1.00 0.98 H new ATOM 0 HG2 ARG A 123 22.274 -4.375 3.935 1.00 0.89 H new ATOM 0 HG3 ARG A 123 23.385 -5.357 3.001 1.00 0.89 H new ATOM 0 HD2 ARG A 123 21.761 -6.898 3.690 1.00 1.00 H new ATOM 0 HD3 ARG A 123 23.068 -7.159 4.828 1.00 1.00 H new ATOM 0 HE ARG A 123 21.537 -5.330 6.174 1.00 1.20 H new ATOM 0 HH11 ARG A 123 20.803 -8.335 4.477 1.00 1.82 H new ATOM 0 HH12 ARG A 123 19.421 -8.723 5.507 1.00 1.82 H new ATOM 0 HH21 ARG A 123 19.752 -5.826 7.498 1.00 2.03 H new ATOM 0 HH22 ARG A 123 18.827 -7.304 7.215 1.00 2.03 H new ATOM 1912 N GLU A 124 27.239 -3.743 4.875 1.00 1.20 N ATOM 1913 CA GLU A 124 28.500 -3.444 5.538 1.00 1.39 C ATOM 1914 C GLU A 124 28.823 -1.965 5.397 1.00 1.37 C ATOM 1915 O GLU A 124 29.185 -1.301 6.368 1.00 1.49 O ATOM 1916 CB GLU A 124 29.637 -4.269 4.931 1.00 1.53 C ATOM 1917 CG GLU A 124 29.462 -5.770 5.079 1.00 1.66 C ATOM 1918 CD GLU A 124 29.676 -6.247 6.495 1.00 2.03 C ATOM 1919 OE1 GLU A 124 28.712 -6.245 7.285 1.00 2.06 O ATOM 1920 OE2 GLU A 124 30.819 -6.633 6.823 1.00 2.84 O ATOM 0 H GLU A 124 27.324 -4.391 4.092 1.00 1.20 H new ATOM 0 HA GLU A 124 28.400 -3.699 6.593 1.00 1.39 H new ATOM 0 HB2 GLU A 124 29.722 -4.027 3.872 1.00 1.53 H new ATOM 0 HB3 GLU A 124 30.576 -3.975 5.401 1.00 1.53 H new ATOM 0 HG2 GLU A 124 28.459 -6.048 4.754 1.00 1.66 H new ATOM 0 HG3 GLU A 124 30.164 -6.280 4.419 1.00 1.66 H new ATOM 1927 N ASN A 125 28.687 -1.451 4.182 1.00 1.27 N ATOM 1928 CA ASN A 125 28.963 -0.049 3.922 1.00 1.30 C ATOM 1929 C ASN A 125 27.933 0.529 2.953 1.00 1.14 C ATOM 1930 O ASN A 125 28.035 0.363 1.739 1.00 1.10 O ATOM 1931 CB ASN A 125 30.405 0.135 3.402 1.00 1.45 C ATOM 1932 CG ASN A 125 30.690 -0.603 2.101 1.00 1.58 C ATOM 1933 OD1 ASN A 125 30.680 -0.010 1.022 1.00 2.19 O ATOM 1934 ND2 ASN A 125 30.943 -1.900 2.195 1.00 1.62 N ATOM 0 H ASN A 125 28.388 -1.984 3.365 1.00 1.27 H new ATOM 0 HA ASN A 125 28.881 0.504 4.858 1.00 1.30 H new ATOM 0 HB2 ASN A 125 30.595 1.198 3.254 1.00 1.45 H new ATOM 0 HB3 ASN A 125 31.103 -0.210 4.165 1.00 1.45 H new ATOM 0 HD21 ASN A 125 31.139 -2.444 1.354 1.00 1.62 H new ATOM 0 HD22 ASN A 125 30.942 -2.355 3.108 1.00 1.62 H new ATOM 1941 N PRO A 126 26.881 1.167 3.495 1.00 1.13 N ATOM 1942 CA PRO A 126 25.860 1.837 2.690 1.00 1.06 C ATOM 1943 C PRO A 126 26.461 2.925 1.808 1.00 1.09 C ATOM 1944 O PRO A 126 27.055 3.884 2.304 1.00 1.19 O ATOM 1945 CB PRO A 126 24.912 2.445 3.730 1.00 1.15 C ATOM 1946 CG PRO A 126 25.136 1.636 4.957 1.00 1.23 C ATOM 1947 CD PRO A 126 26.591 1.268 4.933 1.00 1.24 C ATOM 0 HA PRO A 126 25.361 1.150 2.006 1.00 1.06 H new ATOM 0 HB2 PRO A 126 25.135 3.498 3.903 1.00 1.15 H new ATOM 0 HB3 PRO A 126 23.874 2.389 3.402 1.00 1.15 H new ATOM 0 HG2 PRO A 126 24.890 2.205 5.853 1.00 1.23 H new ATOM 0 HG3 PRO A 126 24.506 0.747 4.961 1.00 1.23 H new ATOM 0 HD2 PRO A 126 27.207 2.026 5.417 1.00 1.24 H new ATOM 0 HD3 PRO A 126 26.778 0.327 5.450 1.00 1.24 H new ATOM 1955 N PRO A 127 26.327 2.767 0.486 1.00 1.05 N ATOM 1956 CA PRO A 127 26.877 3.705 -0.502 1.00 1.13 C ATOM 1957 C PRO A 127 26.309 5.119 -0.365 1.00 1.19 C ATOM 1958 O PRO A 127 25.295 5.335 0.306 1.00 1.14 O ATOM 1959 CB PRO A 127 26.466 3.090 -1.846 1.00 1.11 C ATOM 1960 CG PRO A 127 26.199 1.658 -1.545 1.00 1.01 C ATOM 1961 CD PRO A 127 25.632 1.643 -0.160 1.00 0.97 C ATOM 0 HA PRO A 127 27.953 3.827 -0.381 1.00 1.13 H new ATOM 0 HB2 PRO A 127 25.581 3.580 -2.251 1.00 1.11 H new ATOM 0 HB3 PRO A 127 27.257 3.197 -2.588 1.00 1.11 H new ATOM 0 HG2 PRO A 127 25.498 1.230 -2.261 1.00 1.01 H new ATOM 0 HG3 PRO A 127 27.113 1.067 -1.602 1.00 1.01 H new ATOM 0 HD2 PRO A 127 24.551 1.783 -0.163 1.00 0.97 H new ATOM 0 HD3 PRO A 127 25.829 0.699 0.348 1.00 0.97 H new ATOM 1969 N VAL A 128 26.980 6.078 -1.000 1.00 1.34 N ATOM 1970 CA VAL A 128 26.553 7.478 -0.975 1.00 1.44 C ATOM 1971 C VAL A 128 25.143 7.626 -1.550 1.00 1.22 C ATOM 1972 O VAL A 128 24.421 8.570 -1.231 1.00 1.28 O ATOM 1973 CB VAL A 128 27.541 8.372 -1.759 1.00 1.71 C ATOM 1974 CG1 VAL A 128 27.640 7.928 -3.211 1.00 1.92 C ATOM 1975 CG2 VAL A 128 27.141 9.839 -1.670 1.00 2.16 C ATOM 0 H VAL A 128 27.828 5.910 -1.542 1.00 1.34 H new ATOM 0 HA VAL A 128 26.542 7.803 0.065 1.00 1.44 H new ATOM 0 HB VAL A 128 28.525 8.263 -1.302 1.00 1.71 H new ATOM 0 HG11 VAL A 128 28.341 8.572 -3.742 1.00 1.92 H new ATOM 0 HG12 VAL A 128 27.992 6.897 -3.253 1.00 1.92 H new ATOM 0 HG13 VAL A 128 26.658 7.996 -3.680 1.00 1.92 H new ATOM 0 HG21 VAL A 128 27.853 10.445 -2.230 1.00 2.16 H new ATOM 0 HG22 VAL A 128 26.144 9.970 -2.090 1.00 2.16 H new ATOM 0 HG23 VAL A 128 27.140 10.153 -0.626 1.00 2.16 H new ATOM 1985 N LYS A 129 24.760 6.684 -2.397 1.00 1.07 N ATOM 1986 CA LYS A 129 23.416 6.637 -2.939 1.00 0.88 C ATOM 1987 C LYS A 129 22.840 5.241 -2.797 1.00 0.76 C ATOM 1988 O LYS A 129 23.428 4.270 -3.279 1.00 0.80 O ATOM 1989 CB LYS A 129 23.405 7.070 -4.407 1.00 1.00 C ATOM 1990 CG LYS A 129 23.263 8.570 -4.584 1.00 1.12 C ATOM 1991 CD LYS A 129 21.877 9.035 -4.164 1.00 1.29 C ATOM 1992 CE LYS A 129 21.801 10.547 -4.052 1.00 1.46 C ATOM 1993 NZ LYS A 129 22.643 11.053 -2.937 1.00 1.96 N ATOM 0 H LYS A 129 25.370 5.935 -2.725 1.00 1.07 H new ATOM 0 HA LYS A 129 22.795 7.332 -2.374 1.00 0.88 H new ATOM 0 HB2 LYS A 129 24.328 6.740 -4.884 1.00 1.00 H new ATOM 0 HB3 LYS A 129 22.584 6.570 -4.921 1.00 1.00 H new ATOM 0 HG2 LYS A 129 24.019 9.084 -3.991 1.00 1.12 H new ATOM 0 HG3 LYS A 129 23.440 8.836 -5.626 1.00 1.12 H new ATOM 0 HD2 LYS A 129 21.141 8.687 -4.889 1.00 1.29 H new ATOM 0 HD3 LYS A 129 21.618 8.586 -3.205 1.00 1.29 H new ATOM 0 HE2 LYS A 129 22.126 10.999 -4.989 1.00 1.46 H new ATOM 0 HE3 LYS A 129 20.766 10.850 -3.894 1.00 1.46 H new ATOM 0 HZ1 LYS A 129 22.416 12.052 -2.756 1.00 1.96 H new ATOM 0 HZ2 LYS A 129 22.456 10.495 -2.080 1.00 1.96 H new ATOM 0 HZ3 LYS A 129 23.647 10.967 -3.194 1.00 1.96 H new ATOM 2007 N PRO A 130 21.701 5.121 -2.096 1.00 0.66 N ATOM 2008 CA PRO A 130 20.991 3.850 -1.945 1.00 0.57 C ATOM 2009 C PRO A 130 20.686 3.215 -3.295 1.00 0.52 C ATOM 2010 O PRO A 130 20.535 3.913 -4.301 1.00 0.64 O ATOM 2011 CB PRO A 130 19.691 4.231 -1.223 1.00 0.55 C ATOM 2012 CG PRO A 130 19.608 5.721 -1.301 1.00 0.64 C ATOM 2013 CD PRO A 130 21.021 6.212 -1.387 1.00 0.71 C ATOM 0 HA PRO A 130 21.582 3.115 -1.399 1.00 0.57 H new ATOM 0 HB2 PRO A 130 18.828 3.765 -1.699 1.00 0.55 H new ATOM 0 HB3 PRO A 130 19.705 3.893 -0.187 1.00 0.55 H new ATOM 0 HG2 PRO A 130 19.033 6.034 -2.172 1.00 0.64 H new ATOM 0 HG3 PRO A 130 19.106 6.130 -0.424 1.00 0.64 H new ATOM 0 HD2 PRO A 130 21.090 7.153 -1.932 1.00 0.71 H new ATOM 0 HD3 PRO A 130 21.451 6.383 -0.400 1.00 0.71 H new ATOM 2021 N ASP A 131 20.574 1.902 -3.321 1.00 0.45 N ATOM 2022 CA ASP A 131 20.431 1.196 -4.585 1.00 0.45 C ATOM 2023 C ASP A 131 19.137 0.413 -4.603 1.00 0.39 C ATOM 2024 O ASP A 131 18.909 -0.453 -3.764 1.00 0.39 O ATOM 2025 CB ASP A 131 21.615 0.266 -4.850 1.00 0.53 C ATOM 2026 CG ASP A 131 21.600 -0.264 -6.271 1.00 0.82 C ATOM 2027 OD1 ASP A 131 20.780 -1.160 -6.567 1.00 1.28 O ATOM 2028 OD2 ASP A 131 22.417 0.198 -7.092 1.00 1.06 O ATOM 0 H ASP A 131 20.579 1.305 -2.494 1.00 0.45 H new ATOM 0 HA ASP A 131 20.411 1.941 -5.380 1.00 0.45 H new ATOM 0 HB2 ASP A 131 22.547 0.802 -4.671 1.00 0.53 H new ATOM 0 HB3 ASP A 131 21.587 -0.568 -4.149 1.00 0.53 H new ATOM 2033 N PHE A 132 18.298 0.729 -5.571 1.00 0.38 N ATOM 2034 CA PHE A 132 16.950 0.191 -5.644 1.00 0.35 C ATOM 2035 C PHE A 132 16.936 -1.228 -6.208 1.00 0.37 C ATOM 2036 O PHE A 132 15.966 -1.967 -6.040 1.00 0.38 O ATOM 2037 CB PHE A 132 16.095 1.138 -6.481 1.00 0.38 C ATOM 2038 CG PHE A 132 16.132 2.541 -5.949 1.00 0.38 C ATOM 2039 CD1 PHE A 132 15.247 2.946 -4.964 1.00 0.35 C ATOM 2040 CD2 PHE A 132 17.074 3.445 -6.413 1.00 0.46 C ATOM 2041 CE1 PHE A 132 15.301 4.228 -4.451 1.00 0.40 C ATOM 2042 CE2 PHE A 132 17.131 4.727 -5.907 1.00 0.50 C ATOM 2043 CZ PHE A 132 16.244 5.120 -4.924 1.00 0.46 C ATOM 0 H PHE A 132 18.531 1.367 -6.332 1.00 0.38 H new ATOM 0 HA PHE A 132 16.535 0.120 -4.639 1.00 0.35 H new ATOM 0 HB2 PHE A 132 16.448 1.131 -7.512 1.00 0.38 H new ATOM 0 HB3 PHE A 132 15.065 0.782 -6.495 1.00 0.38 H new ATOM 0 HD1 PHE A 132 14.507 2.253 -4.593 1.00 0.35 H new ATOM 0 HD2 PHE A 132 17.772 3.142 -7.180 1.00 0.46 H new ATOM 0 HE1 PHE A 132 14.607 4.532 -3.681 1.00 0.40 H new ATOM 0 HE2 PHE A 132 17.868 5.423 -6.279 1.00 0.50 H new ATOM 0 HZ PHE A 132 16.287 6.123 -4.526 1.00 0.46 H new ATOM 2053 N SER A 133 18.017 -1.608 -6.867 1.00 0.42 N ATOM 2054 CA SER A 133 18.149 -2.955 -7.399 1.00 0.47 C ATOM 2055 C SER A 133 18.757 -3.877 -6.344 1.00 0.48 C ATOM 2056 O SER A 133 18.656 -5.103 -6.434 1.00 0.62 O ATOM 2057 CB SER A 133 19.011 -2.948 -8.665 1.00 0.54 C ATOM 2058 OG SER A 133 18.947 -4.199 -9.337 1.00 1.46 O ATOM 0 H SER A 133 18.818 -1.002 -7.047 1.00 0.42 H new ATOM 0 HA SER A 133 17.159 -3.327 -7.661 1.00 0.47 H new ATOM 0 HB2 SER A 133 18.674 -2.156 -9.333 1.00 0.54 H new ATOM 0 HB3 SER A 133 20.045 -2.725 -8.403 1.00 0.54 H new ATOM 0 HG SER A 133 19.505 -4.167 -10.142 1.00 1.46 H new ATOM 2064 N LYS A 134 19.353 -3.280 -5.321 1.00 0.40 N ATOM 2065 CA LYS A 134 19.984 -4.040 -4.257 1.00 0.43 C ATOM 2066 C LYS A 134 19.185 -3.859 -3.002 1.00 0.39 C ATOM 2067 O LYS A 134 19.638 -4.168 -1.908 1.00 0.46 O ATOM 2068 CB LYS A 134 21.417 -3.576 -4.007 1.00 0.48 C ATOM 2069 CG LYS A 134 22.373 -3.877 -5.154 1.00 0.65 C ATOM 2070 CD LYS A 134 22.239 -5.310 -5.648 1.00 0.78 C ATOM 2071 CE LYS A 134 23.236 -5.607 -6.758 1.00 1.00 C ATOM 2072 NZ LYS A 134 22.936 -6.886 -7.457 1.00 1.87 N ATOM 0 H LYS A 134 19.411 -2.268 -5.208 1.00 0.40 H new ATOM 0 HA LYS A 134 20.016 -5.088 -4.554 1.00 0.43 H new ATOM 0 HB2 LYS A 134 21.414 -2.502 -3.823 1.00 0.48 H new ATOM 0 HB3 LYS A 134 21.790 -4.054 -3.101 1.00 0.48 H new ATOM 0 HG2 LYS A 134 22.178 -3.190 -5.978 1.00 0.65 H new ATOM 0 HG3 LYS A 134 23.398 -3.701 -4.827 1.00 0.65 H new ATOM 0 HD2 LYS A 134 22.399 -5.999 -4.819 1.00 0.78 H new ATOM 0 HD3 LYS A 134 21.225 -5.478 -6.012 1.00 0.78 H new ATOM 0 HE2 LYS A 134 23.227 -4.790 -7.480 1.00 1.00 H new ATOM 0 HE3 LYS A 134 24.241 -5.651 -6.339 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 23.641 -7.047 -8.205 1.00 1.87 H new ATOM 0 HZ2 LYS A 134 22.970 -7.670 -6.775 1.00 1.87 H new ATOM 0 HZ3 LYS A 134 21.987 -6.836 -7.881 1.00 1.87 H new ATOM 2086 N LEU A 135 17.996 -3.337 -3.173 1.00 0.41 N ATOM 2087 CA LEU A 135 17.154 -3.032 -2.054 1.00 0.40 C ATOM 2088 C LEU A 135 16.055 -4.068 -1.935 1.00 0.41 C ATOM 2089 O LEU A 135 15.296 -4.296 -2.876 1.00 0.46 O ATOM 2090 CB LEU A 135 16.564 -1.640 -2.210 1.00 0.41 C ATOM 2091 CG LEU A 135 16.031 -1.054 -0.920 1.00 0.36 C ATOM 2092 CD1 LEU A 135 17.161 -0.886 0.086 1.00 0.79 C ATOM 2093 CD2 LEU A 135 15.330 0.266 -1.179 1.00 0.74 C ATOM 0 H LEU A 135 17.592 -3.115 -4.083 1.00 0.41 H new ATOM 0 HA LEU A 135 17.750 -3.054 -1.142 1.00 0.40 H new ATOM 0 HB2 LEU A 135 17.328 -0.975 -2.612 1.00 0.41 H new ATOM 0 HB3 LEU A 135 15.757 -1.678 -2.942 1.00 0.41 H new ATOM 0 HG LEU A 135 15.298 -1.742 -0.500 1.00 0.36 H new ATOM 0 HD11 LEU A 135 16.766 -0.464 1.010 1.00 0.79 H new ATOM 0 HD12 LEU A 135 17.610 -1.857 0.294 1.00 0.79 H new ATOM 0 HD13 LEU A 135 17.917 -0.217 -0.324 1.00 0.79 H new ATOM 0 HD21 LEU A 135 14.955 0.669 -0.238 1.00 0.74 H new ATOM 0 HD22 LEU A 135 16.034 0.971 -1.621 1.00 0.74 H new ATOM 0 HD23 LEU A 135 14.497 0.107 -1.864 1.00 0.74 H new ATOM 2105 N GLN A 136 15.995 -4.705 -0.786 1.00 0.40 N ATOM 2106 CA GLN A 136 14.991 -5.709 -0.513 1.00 0.41 C ATOM 2107 C GLN A 136 13.942 -5.122 0.405 1.00 0.38 C ATOM 2108 O GLN A 136 14.262 -4.622 1.485 1.00 0.44 O ATOM 2109 CB GLN A 136 15.619 -6.932 0.152 1.00 0.46 C ATOM 2110 CG GLN A 136 14.754 -8.174 0.065 1.00 0.58 C ATOM 2111 CD GLN A 136 15.132 -9.229 1.086 1.00 0.79 C ATOM 2112 OE1 GLN A 136 14.996 -10.427 0.839 1.00 1.63 O ATOM 2113 NE2 GLN A 136 15.589 -8.791 2.246 1.00 0.72 N ATOM 0 H GLN A 136 16.642 -4.541 -0.014 1.00 0.40 H new ATOM 0 HA GLN A 136 14.537 -6.020 -1.454 1.00 0.41 H new ATOM 0 HB2 GLN A 136 16.583 -7.136 -0.315 1.00 0.46 H new ATOM 0 HB3 GLN A 136 15.814 -6.707 1.200 1.00 0.46 H new ATOM 0 HG2 GLN A 136 13.710 -7.894 0.208 1.00 0.58 H new ATOM 0 HG3 GLN A 136 14.836 -8.598 -0.936 1.00 0.58 H new ATOM 0 HE21 GLN A 136 15.687 -7.789 2.410 1.00 0.72 H new ATOM 0 HE22 GLN A 136 15.844 -9.455 2.977 1.00 0.72 H new ATOM 2122 N ARG A 137 12.697 -5.173 -0.017 1.00 0.36 N ATOM 2123 CA ARG A 137 11.625 -4.628 0.779 1.00 0.35 C ATOM 2124 C ARG A 137 11.105 -5.676 1.749 1.00 0.35 C ATOM 2125 O ARG A 137 10.411 -6.615 1.348 1.00 0.39 O ATOM 2126 CB ARG A 137 10.486 -4.148 -0.113 1.00 0.43 C ATOM 2127 CG ARG A 137 10.899 -3.120 -1.147 1.00 1.02 C ATOM 2128 CD ARG A 137 9.682 -2.570 -1.861 1.00 1.29 C ATOM 2129 NE ARG A 137 8.741 -3.636 -2.208 1.00 1.00 N ATOM 2130 CZ ARG A 137 8.336 -3.898 -3.438 1.00 1.85 C ATOM 2131 NH1 ARG A 137 8.749 -3.148 -4.444 1.00 2.82 N ATOM 2132 NH2 ARG A 137 7.502 -4.906 -3.661 1.00 2.05 N ATOM 0 H ARG A 137 12.405 -5.585 -0.903 1.00 0.36 H new ATOM 0 HA ARG A 137 12.015 -3.780 1.341 1.00 0.35 H new ATOM 0 HB2 ARG A 137 10.053 -5.008 -0.624 1.00 0.43 H new ATOM 0 HB3 ARG A 137 9.703 -3.722 0.514 1.00 0.43 H new ATOM 0 HG2 ARG A 137 11.443 -2.308 -0.665 1.00 1.02 H new ATOM 0 HG3 ARG A 137 11.578 -3.574 -1.869 1.00 1.02 H new ATOM 0 HD2 ARG A 137 9.186 -1.837 -1.225 1.00 1.29 H new ATOM 0 HD3 ARG A 137 9.994 -2.048 -2.766 1.00 1.29 H new ATOM 0 HE ARG A 137 8.374 -4.214 -1.452 1.00 1.00 H new ATOM 0 HH11 ARG A 137 9.381 -2.366 -4.271 1.00 2.82 H new ATOM 0 HH12 ARG A 137 8.436 -3.351 -5.393 1.00 2.82 H new ATOM 0 HH21 ARG A 137 7.174 -5.478 -2.883 1.00 2.05 H new ATOM 0 HH22 ARG A 137 7.189 -5.109 -4.610 1.00 2.05 H new ATOM 2146 N ASN A 138 11.452 -5.522 3.015 1.00 0.35 N ATOM 2147 CA ASN A 138 10.922 -6.380 4.058 1.00 0.39 C ATOM 2148 C ASN A 138 9.709 -5.707 4.677 1.00 0.39 C ATOM 2149 O ASN A 138 9.818 -4.973 5.659 1.00 0.49 O ATOM 2150 CB ASN A 138 11.986 -6.670 5.124 1.00 0.45 C ATOM 2151 CG ASN A 138 11.502 -7.628 6.202 1.00 0.52 C ATOM 2152 OD1 ASN A 138 11.644 -8.843 6.079 1.00 0.84 O ATOM 2153 ND2 ASN A 138 10.938 -7.083 7.269 1.00 0.67 N ATOM 0 H ASN A 138 12.101 -4.808 3.345 1.00 0.35 H new ATOM 0 HA ASN A 138 10.628 -7.336 3.624 1.00 0.39 H new ATOM 0 HB2 ASN A 138 12.869 -7.090 4.643 1.00 0.45 H new ATOM 0 HB3 ASN A 138 12.291 -5.733 5.589 1.00 0.45 H new ATOM 0 HD21 ASN A 138 10.603 -7.676 8.028 1.00 0.67 H new ATOM 0 HD22 ASN A 138 10.839 -6.070 7.332 1.00 0.67 H new ATOM 2160 N ILE A 139 8.563 -5.912 4.053 1.00 0.37 N ATOM 2161 CA ILE A 139 7.322 -5.309 4.506 1.00 0.36 C ATOM 2162 C ILE A 139 6.898 -5.903 5.839 1.00 0.37 C ATOM 2163 O ILE A 139 6.636 -7.103 5.939 1.00 0.46 O ATOM 2164 CB ILE A 139 6.208 -5.508 3.460 1.00 0.39 C ATOM 2165 CG1 ILE A 139 6.656 -4.913 2.121 1.00 0.42 C ATOM 2166 CG2 ILE A 139 4.902 -4.880 3.930 1.00 0.43 C ATOM 2167 CD1 ILE A 139 5.683 -5.144 0.983 1.00 0.48 C ATOM 0 H ILE A 139 8.466 -6.497 3.223 1.00 0.37 H new ATOM 0 HA ILE A 139 7.490 -4.240 4.636 1.00 0.36 H new ATOM 0 HB ILE A 139 6.027 -6.575 3.330 1.00 0.39 H new ATOM 0 HG12 ILE A 139 6.805 -3.840 2.245 1.00 0.42 H new ATOM 0 HG13 ILE A 139 7.622 -5.340 1.851 1.00 0.42 H new ATOM 0 HG21 ILE A 139 4.132 -5.034 3.174 1.00 0.43 H new ATOM 0 HG22 ILE A 139 4.591 -5.345 4.866 1.00 0.43 H new ATOM 0 HG23 ILE A 139 5.048 -3.811 4.087 1.00 0.43 H new ATOM 0 HD11 ILE A 139 6.075 -4.692 0.072 1.00 0.48 H new ATOM 0 HD12 ILE A 139 5.551 -6.215 0.829 1.00 0.48 H new ATOM 0 HD13 ILE A 139 4.722 -4.692 1.228 1.00 0.48 H new ATOM 2179 N LEU A 140 6.844 -5.061 6.858 1.00 0.35 N ATOM 2180 CA LEU A 140 6.485 -5.498 8.194 1.00 0.39 C ATOM 2181 C LEU A 140 4.985 -5.699 8.296 1.00 0.36 C ATOM 2182 O LEU A 140 4.249 -4.790 8.679 1.00 0.37 O ATOM 2183 CB LEU A 140 6.934 -4.476 9.243 1.00 0.47 C ATOM 2184 CG LEU A 140 8.416 -4.100 9.203 1.00 0.54 C ATOM 2185 CD1 LEU A 140 8.709 -2.971 10.179 1.00 0.88 C ATOM 2186 CD2 LEU A 140 9.281 -5.306 9.522 1.00 0.99 C ATOM 0 H LEU A 140 7.046 -4.064 6.782 1.00 0.35 H new ATOM 0 HA LEU A 140 6.992 -6.444 8.385 1.00 0.39 H new ATOM 0 HB2 LEU A 140 6.343 -3.569 9.117 1.00 0.47 H new ATOM 0 HB3 LEU A 140 6.704 -4.872 10.232 1.00 0.47 H new ATOM 0 HG LEU A 140 8.653 -3.758 8.195 1.00 0.54 H new ATOM 0 HD11 LEU A 140 9.768 -2.718 10.136 1.00 0.88 H new ATOM 0 HD12 LEU A 140 8.116 -2.096 9.912 1.00 0.88 H new ATOM 0 HD13 LEU A 140 8.453 -3.288 11.190 1.00 0.88 H new ATOM 0 HD21 LEU A 140 10.332 -5.019 9.489 1.00 0.99 H new ATOM 0 HD22 LEU A 140 9.037 -5.675 10.518 1.00 0.99 H new ATOM 0 HD23 LEU A 140 9.096 -6.091 8.789 1.00 0.99 H new ATOM 2198 N ALA A 141 4.530 -6.889 7.937 1.00 0.39 N ATOM 2199 CA ALA A 141 3.123 -7.233 8.066 1.00 0.42 C ATOM 2200 C ALA A 141 2.789 -7.497 9.529 1.00 0.49 C ATOM 2201 O ALA A 141 1.649 -7.789 9.884 1.00 0.55 O ATOM 2202 CB ALA A 141 2.783 -8.441 7.205 1.00 0.48 C ATOM 0 H ALA A 141 5.114 -7.632 7.554 1.00 0.39 H new ATOM 0 HA ALA A 141 2.521 -6.395 7.715 1.00 0.42 H new ATOM 0 HB1 ALA A 141 1.726 -8.681 7.316 1.00 0.48 H new ATOM 0 HB2 ALA A 141 2.995 -8.214 6.160 1.00 0.48 H new ATOM 0 HB3 ALA A 141 3.384 -9.294 7.521 1.00 0.48 H new ATOM 2208 N SER A 142 3.810 -7.396 10.369 1.00 0.52 N ATOM 2209 CA SER A 142 3.662 -7.540 11.804 1.00 0.62 C ATOM 2210 C SER A 142 2.986 -6.306 12.398 1.00 0.61 C ATOM 2211 O SER A 142 2.496 -6.330 13.529 1.00 0.70 O ATOM 2212 CB SER A 142 5.041 -7.728 12.427 1.00 0.72 C ATOM 2213 OG SER A 142 5.847 -8.563 11.611 1.00 1.42 O ATOM 0 H SER A 142 4.767 -7.211 10.069 1.00 0.52 H new ATOM 0 HA SER A 142 3.038 -8.408 12.017 1.00 0.62 H new ATOM 0 HB2 SER A 142 5.524 -6.759 12.554 1.00 0.72 H new ATOM 0 HB3 SER A 142 4.941 -8.167 13.420 1.00 0.72 H new ATOM 0 HG SER A 142 6.729 -8.672 12.025 1.00 1.42 H new ATOM 2219 N ASN A 143 2.971 -5.220 11.632 1.00 0.56 N ATOM 2220 CA ASN A 143 2.335 -3.990 12.076 1.00 0.60 C ATOM 2221 C ASN A 143 1.490 -3.394 10.955 1.00 0.49 C ATOM 2222 O ASN A 143 1.967 -2.566 10.179 1.00 0.49 O ATOM 2223 CB ASN A 143 3.385 -2.976 12.534 1.00 0.74 C ATOM 2224 CG ASN A 143 2.796 -1.827 13.339 1.00 1.25 C ATOM 2225 OD1 ASN A 143 1.630 -1.462 13.181 1.00 1.87 O ATOM 2226 ND2 ASN A 143 3.604 -1.251 14.212 1.00 1.91 N ATOM 0 H ASN A 143 3.391 -5.169 10.704 1.00 0.56 H new ATOM 0 HA ASN A 143 1.687 -4.227 12.920 1.00 0.60 H new ATOM 0 HB2 ASN A 143 4.135 -3.487 13.137 1.00 0.74 H new ATOM 0 HB3 ASN A 143 3.898 -2.574 11.660 1.00 0.74 H new ATOM 0 HD21 ASN A 143 3.268 -0.476 14.784 1.00 1.91 H new ATOM 0 HD22 ASN A 143 4.564 -1.582 14.314 1.00 1.91 H new ATOM 2233 N PRO A 144 0.238 -3.854 10.825 1.00 0.48 N ATOM 2234 CA PRO A 144 -0.713 -3.309 9.871 1.00 0.43 C ATOM 2235 C PRO A 144 -1.472 -2.124 10.457 1.00 0.39 C ATOM 2236 O PRO A 144 -2.342 -2.293 11.315 1.00 0.51 O ATOM 2237 CB PRO A 144 -1.673 -4.482 9.606 1.00 0.52 C ATOM 2238 CG PRO A 144 -1.283 -5.573 10.563 1.00 0.66 C ATOM 2239 CD PRO A 144 -0.357 -4.958 11.576 1.00 0.60 C ATOM 0 HA PRO A 144 -0.228 -2.935 8.969 1.00 0.43 H new ATOM 0 HB2 PRO A 144 -2.708 -4.180 9.763 1.00 0.52 H new ATOM 0 HB3 PRO A 144 -1.593 -4.824 8.574 1.00 0.52 H new ATOM 0 HG2 PRO A 144 -2.164 -5.992 11.050 1.00 0.66 H new ATOM 0 HG3 PRO A 144 -0.791 -6.390 10.036 1.00 0.66 H new ATOM 0 HD2 PRO A 144 -0.894 -4.607 12.457 1.00 0.60 H new ATOM 0 HD3 PRO A 144 0.396 -5.667 11.922 1.00 0.60 H new ATOM 2247 N ARG A 145 -1.137 -0.927 10.007 1.00 0.32 N ATOM 2248 CA ARG A 145 -1.788 0.275 10.500 1.00 0.33 C ATOM 2249 C ARG A 145 -3.103 0.494 9.763 1.00 0.30 C ATOM 2250 O ARG A 145 -3.158 1.207 8.762 1.00 0.33 O ATOM 2251 CB ARG A 145 -0.877 1.500 10.339 1.00 0.41 C ATOM 2252 CG ARG A 145 -1.456 2.772 10.943 1.00 0.98 C ATOM 2253 CD ARG A 145 -1.809 2.591 12.411 1.00 1.21 C ATOM 2254 NE ARG A 145 -0.625 2.483 13.262 1.00 1.63 N ATOM 2255 CZ ARG A 145 -0.652 2.033 14.516 1.00 2.42 C ATOM 2256 NH1 ARG A 145 -1.779 1.549 15.024 1.00 3.00 N ATOM 2257 NH2 ARG A 145 0.453 2.038 15.250 1.00 3.15 N ATOM 0 H ARG A 145 -0.419 -0.761 9.302 1.00 0.32 H new ATOM 0 HA ARG A 145 -1.992 0.144 11.563 1.00 0.33 H new ATOM 0 HB2 ARG A 145 0.085 1.291 10.806 1.00 0.41 H new ATOM 0 HB3 ARG A 145 -0.687 1.665 9.278 1.00 0.41 H new ATOM 0 HG2 ARG A 145 -0.736 3.584 10.840 1.00 0.98 H new ATOM 0 HG3 ARG A 145 -2.348 3.065 10.388 1.00 0.98 H new ATOM 0 HD2 ARG A 145 -2.415 3.434 12.742 1.00 1.21 H new ATOM 0 HD3 ARG A 145 -2.419 1.695 12.527 1.00 1.21 H new ATOM 0 HE ARG A 145 0.274 2.769 12.873 1.00 1.63 H new ATOM 0 HH11 ARG A 145 -2.625 1.521 14.454 1.00 3.00 H new ATOM 0 HH12 ARG A 145 -1.799 1.205 15.984 1.00 3.00 H new ATOM 0 HH21 ARG A 145 1.326 2.387 14.855 1.00 3.15 H new ATOM 0 HH22 ARG A 145 0.429 1.693 16.210 1.00 3.15 H new ATOM 2271 N VAL A 146 -4.153 -0.149 10.241 1.00 0.36 N ATOM 2272 CA VAL A 146 -5.457 -0.015 9.624 1.00 0.39 C ATOM 2273 C VAL A 146 -6.224 1.146 10.247 1.00 0.40 C ATOM 2274 O VAL A 146 -6.698 1.072 11.380 1.00 0.43 O ATOM 2275 CB VAL A 146 -6.272 -1.327 9.706 1.00 0.47 C ATOM 2276 CG1 VAL A 146 -6.355 -1.829 11.133 1.00 1.14 C ATOM 2277 CG2 VAL A 146 -7.662 -1.140 9.109 1.00 1.11 C ATOM 0 H VAL A 146 -4.127 -0.767 11.052 1.00 0.36 H new ATOM 0 HA VAL A 146 -5.302 0.199 8.566 1.00 0.39 H new ATOM 0 HB VAL A 146 -5.752 -2.083 9.118 1.00 0.47 H new ATOM 0 HG11 VAL A 146 -6.934 -2.752 11.161 1.00 1.14 H new ATOM 0 HG12 VAL A 146 -5.350 -2.019 11.511 1.00 1.14 H new ATOM 0 HG13 VAL A 146 -6.841 -1.078 11.755 1.00 1.14 H new ATOM 0 HG21 VAL A 146 -8.216 -2.076 9.178 1.00 1.11 H new ATOM 0 HG22 VAL A 146 -8.193 -0.363 9.659 1.00 1.11 H new ATOM 0 HG23 VAL A 146 -7.572 -0.848 8.063 1.00 1.11 H new ATOM 2287 N THR A 147 -6.297 2.242 9.517 1.00 0.40 N ATOM 2288 CA THR A 147 -7.060 3.391 9.957 1.00 0.42 C ATOM 2289 C THR A 147 -8.325 3.500 9.133 1.00 0.35 C ATOM 2290 O THR A 147 -8.274 3.799 7.941 1.00 0.33 O ATOM 2291 CB THR A 147 -6.254 4.692 9.824 1.00 0.47 C ATOM 2292 OG1 THR A 147 -4.956 4.521 10.409 1.00 0.56 O ATOM 2293 CG2 THR A 147 -6.972 5.847 10.509 1.00 0.52 C ATOM 0 H THR A 147 -5.836 2.360 8.615 1.00 0.40 H new ATOM 0 HA THR A 147 -7.303 3.250 11.010 1.00 0.42 H new ATOM 0 HB THR A 147 -6.152 4.925 8.764 1.00 0.47 H new ATOM 0 HG1 THR A 147 -4.895 5.051 11.231 1.00 0.56 H new ATOM 0 HG21 THR A 147 -6.382 6.757 10.401 1.00 0.52 H new ATOM 0 HG22 THR A 147 -7.950 5.992 10.049 1.00 0.52 H new ATOM 0 HG23 THR A 147 -7.099 5.620 11.568 1.00 0.52 H new ATOM 2301 N ARG A 148 -9.452 3.233 9.752 1.00 0.38 N ATOM 2302 CA ARG A 148 -10.706 3.247 9.037 1.00 0.34 C ATOM 2303 C ARG A 148 -11.546 4.455 9.424 1.00 0.37 C ATOM 2304 O ARG A 148 -11.676 4.804 10.600 1.00 0.47 O ATOM 2305 CB ARG A 148 -11.466 1.939 9.262 1.00 0.42 C ATOM 2306 CG ARG A 148 -11.489 1.495 10.714 1.00 0.57 C ATOM 2307 CD ARG A 148 -12.039 0.089 10.863 1.00 0.88 C ATOM 2308 NE ARG A 148 -11.719 -0.476 12.172 1.00 1.48 N ATOM 2309 CZ ARG A 148 -11.822 -1.769 12.482 1.00 2.08 C ATOM 2310 NH1 ARG A 148 -12.302 -2.638 11.597 1.00 2.11 N ATOM 2311 NH2 ARG A 148 -11.451 -2.189 13.684 1.00 3.00 N ATOM 0 H ARG A 148 -9.526 3.005 10.743 1.00 0.38 H new ATOM 0 HA ARG A 148 -10.492 3.331 7.972 1.00 0.34 H new ATOM 0 HB2 ARG A 148 -12.491 2.058 8.910 1.00 0.42 H new ATOM 0 HB3 ARG A 148 -11.011 1.155 8.657 1.00 0.42 H new ATOM 0 HG2 ARG A 148 -10.479 1.536 11.123 1.00 0.57 H new ATOM 0 HG3 ARG A 148 -12.097 2.187 11.296 1.00 0.57 H new ATOM 0 HD2 ARG A 148 -13.120 0.104 10.727 1.00 0.88 H new ATOM 0 HD3 ARG A 148 -11.628 -0.548 10.080 1.00 0.88 H new ATOM 0 HE ARG A 148 -11.395 0.162 12.898 1.00 1.48 H new ATOM 0 HH11 ARG A 148 -12.594 -2.317 10.674 1.00 2.11 H new ATOM 0 HH12 ARG A 148 -12.378 -3.625 11.841 1.00 2.11 H new ATOM 0 HH21 ARG A 148 -11.089 -1.524 14.367 1.00 3.00 H new ATOM 0 HH22 ARG A 148 -11.528 -3.177 13.925 1.00 3.00 H new ATOM 2325 N PHE A 149 -12.111 5.078 8.410 1.00 0.33 N ATOM 2326 CA PHE A 149 -12.837 6.325 8.560 1.00 0.36 C ATOM 2327 C PHE A 149 -14.332 6.084 8.384 1.00 0.38 C ATOM 2328 O PHE A 149 -14.740 5.168 7.667 1.00 0.46 O ATOM 2329 CB PHE A 149 -12.359 7.324 7.503 1.00 0.36 C ATOM 2330 CG PHE A 149 -10.865 7.375 7.348 1.00 0.36 C ATOM 2331 CD1 PHE A 149 -10.099 8.127 8.223 1.00 0.43 C ATOM 2332 CD2 PHE A 149 -10.226 6.680 6.333 1.00 0.33 C ATOM 2333 CE1 PHE A 149 -8.728 8.186 8.093 1.00 0.46 C ATOM 2334 CE2 PHE A 149 -8.852 6.736 6.198 1.00 0.34 C ATOM 2335 CZ PHE A 149 -8.105 7.446 7.042 1.00 0.40 C ATOM 0 H PHE A 149 -12.080 4.732 7.451 1.00 0.33 H new ATOM 0 HA PHE A 149 -12.653 6.725 9.557 1.00 0.36 H new ATOM 0 HB2 PHE A 149 -12.806 7.065 6.543 1.00 0.36 H new ATOM 0 HB3 PHE A 149 -12.722 8.318 7.765 1.00 0.36 H new ATOM 0 HD1 PHE A 149 -10.583 8.675 9.018 1.00 0.43 H new ATOM 0 HD2 PHE A 149 -10.808 6.089 5.641 1.00 0.33 H new ATOM 0 HE1 PHE A 149 -8.136 8.781 8.773 1.00 0.46 H new ATOM 0 HE2 PHE A 149 -8.375 6.195 5.394 1.00 0.34 H new ATOM 0 HZ PHE A 149 -7.031 7.462 6.932 1.00 0.40 H new ATOM 2345 N HIS A 150 -15.143 6.901 9.033 1.00 0.47 N ATOM 2346 CA HIS A 150 -16.589 6.828 8.869 1.00 0.51 C ATOM 2347 C HIS A 150 -17.016 7.773 7.755 1.00 0.52 C ATOM 2348 O HIS A 150 -16.694 8.959 7.793 1.00 0.60 O ATOM 2349 CB HIS A 150 -17.294 7.200 10.179 1.00 0.64 C ATOM 2350 CG HIS A 150 -18.793 7.123 10.118 1.00 1.38 C ATOM 2351 ND1 HIS A 150 -19.585 8.164 9.679 1.00 2.39 N ATOM 2352 CD2 HIS A 150 -19.644 6.123 10.447 1.00 1.74 C ATOM 2353 CE1 HIS A 150 -20.853 7.807 9.743 1.00 3.14 C ATOM 2354 NE2 HIS A 150 -20.916 6.574 10.204 1.00 2.73 N ATOM 0 H HIS A 150 -14.827 7.624 9.679 1.00 0.47 H new ATOM 0 HA HIS A 150 -16.870 5.808 8.607 1.00 0.51 H new ATOM 0 HB2 HIS A 150 -16.940 6.538 10.969 1.00 0.64 H new ATOM 0 HB3 HIS A 150 -17.005 8.213 10.458 1.00 0.64 H new ATOM 0 HD2 HIS A 150 -19.372 5.151 10.830 1.00 1.74 H new ATOM 0 HE1 HIS A 150 -21.697 8.421 9.465 1.00 3.14 H new ATOM 0 HE2 HIS A 150 -21.773 6.041 10.356 1.00 2.73 H new ATOM 2363 N ILE A 151 -17.717 7.255 6.756 1.00 0.48 N ATOM 2364 CA ILE A 151 -18.181 8.078 5.653 1.00 0.50 C ATOM 2365 C ILE A 151 -19.606 7.721 5.293 1.00 0.49 C ATOM 2366 O ILE A 151 -20.172 6.759 5.812 1.00 0.55 O ATOM 2367 CB ILE A 151 -17.323 7.927 4.374 1.00 0.48 C ATOM 2368 CG1 ILE A 151 -17.397 6.501 3.818 1.00 0.43 C ATOM 2369 CG2 ILE A 151 -15.881 8.312 4.645 1.00 0.52 C ATOM 2370 CD1 ILE A 151 -16.914 6.383 2.387 1.00 0.64 C ATOM 0 H ILE A 151 -17.975 6.271 6.688 1.00 0.48 H new ATOM 0 HA ILE A 151 -18.103 9.108 6.002 1.00 0.50 H new ATOM 0 HB ILE A 151 -17.730 8.604 3.623 1.00 0.48 H new ATOM 0 HG12 ILE A 151 -16.801 5.842 4.449 1.00 0.43 H new ATOM 0 HG13 ILE A 151 -18.428 6.151 3.875 1.00 0.43 H new ATOM 0 HG21 ILE A 151 -15.296 8.198 3.732 1.00 0.52 H new ATOM 0 HG22 ILE A 151 -15.838 9.349 4.977 1.00 0.52 H new ATOM 0 HG23 ILE A 151 -15.471 7.665 5.421 1.00 0.52 H new ATOM 0 HD11 ILE A 151 -16.995 5.346 2.060 1.00 0.64 H new ATOM 0 HD12 ILE A 151 -17.525 7.015 1.743 1.00 0.64 H new ATOM 0 HD13 ILE A 151 -15.874 6.702 2.327 1.00 0.64 H new ATOM 2382 N ASN A 152 -20.171 8.505 4.404 1.00 0.50 N ATOM 2383 CA ASN A 152 -21.473 8.215 3.853 1.00 0.51 C ATOM 2384 C ASN A 152 -21.309 7.506 2.514 1.00 0.49 C ATOM 2385 O ASN A 152 -20.700 8.029 1.581 1.00 0.52 O ATOM 2386 CB ASN A 152 -22.298 9.499 3.723 1.00 0.62 C ATOM 2387 CG ASN A 152 -21.595 10.586 2.931 1.00 0.87 C ATOM 2388 OD1 ASN A 152 -20.839 11.380 3.489 1.00 1.78 O ATOM 2389 ND2 ASN A 152 -21.836 10.638 1.630 1.00 1.33 N ATOM 0 H ASN A 152 -19.743 9.358 4.044 1.00 0.50 H new ATOM 0 HA ASN A 152 -22.017 7.552 4.525 1.00 0.51 H new ATOM 0 HB2 ASN A 152 -23.248 9.265 3.242 1.00 0.62 H new ATOM 0 HB3 ASN A 152 -22.529 9.877 4.719 1.00 0.62 H new ATOM 0 HD21 ASN A 152 -21.389 11.353 1.057 1.00 1.33 H new ATOM 0 HD22 ASN A 152 -22.469 9.963 1.201 1.00 1.33 H new ATOM 2396 N TRP A 153 -21.822 6.296 2.450 1.00 0.54 N ATOM 2397 CA TRP A 153 -21.669 5.445 1.277 1.00 0.59 C ATOM 2398 C TRP A 153 -22.737 5.734 0.226 1.00 0.72 C ATOM 2399 O TRP A 153 -22.769 5.115 -0.837 1.00 0.87 O ATOM 2400 CB TRP A 153 -21.728 3.983 1.699 1.00 0.63 C ATOM 2401 CG TRP A 153 -20.667 3.614 2.691 1.00 0.55 C ATOM 2402 CD1 TRP A 153 -20.660 3.887 4.026 1.00 0.59 C ATOM 2403 CD2 TRP A 153 -19.463 2.897 2.427 1.00 0.48 C ATOM 2404 NE1 TRP A 153 -19.522 3.390 4.604 1.00 0.56 N ATOM 2405 CE2 TRP A 153 -18.772 2.776 3.645 1.00 0.50 C ATOM 2406 CE3 TRP A 153 -18.901 2.349 1.276 1.00 0.49 C ATOM 2407 CZ2 TRP A 153 -17.549 2.122 3.743 1.00 0.52 C ATOM 2408 CZ3 TRP A 153 -17.690 1.699 1.373 1.00 0.52 C ATOM 2409 CH2 TRP A 153 -17.025 1.590 2.598 1.00 0.53 C ATOM 0 H TRP A 153 -22.357 5.870 3.206 1.00 0.54 H new ATOM 0 HA TRP A 153 -20.700 5.659 0.825 1.00 0.59 H new ATOM 0 HB2 TRP A 153 -22.708 3.775 2.129 1.00 0.63 H new ATOM 0 HB3 TRP A 153 -21.627 3.352 0.816 1.00 0.63 H new ATOM 0 HD1 TRP A 153 -21.439 4.418 4.552 1.00 0.59 H new ATOM 0 HE1 TRP A 153 -19.276 3.467 5.591 1.00 0.56 H new ATOM 0 HE3 TRP A 153 -19.406 2.432 0.325 1.00 0.49 H new ATOM 0 HZ2 TRP A 153 -17.033 2.038 4.688 1.00 0.52 H new ATOM 0 HZ3 TRP A 153 -17.247 1.267 0.488 1.00 0.52 H new ATOM 0 HH2 TRP A 153 -16.077 1.074 2.641 1.00 0.53 H new ATOM 2420 N GLU A 154 -23.599 6.682 0.525 1.00 0.80 N ATOM 2421 CA GLU A 154 -24.620 7.102 -0.395 1.00 0.99 C ATOM 2422 C GLU A 154 -24.425 8.567 -0.666 1.00 0.96 C ATOM 2423 O GLU A 154 -23.716 9.249 0.080 1.00 1.23 O ATOM 2424 CB GLU A 154 -26.027 6.864 0.162 1.00 1.23 C ATOM 2425 CG GLU A 154 -26.412 5.402 0.271 1.00 1.48 C ATOM 2426 CD GLU A 154 -25.842 4.719 1.498 1.00 1.70 C ATOM 2427 OE1 GLU A 154 -26.165 5.136 2.628 1.00 2.32 O ATOM 2428 OE2 GLU A 154 -25.036 3.774 1.336 1.00 2.07 O ATOM 0 H GLU A 154 -23.607 7.180 1.415 1.00 0.80 H new ATOM 0 HA GLU A 154 -24.533 6.516 -1.310 1.00 0.99 H new ATOM 0 HB2 GLU A 154 -26.097 7.321 1.149 1.00 1.23 H new ATOM 0 HB3 GLU A 154 -26.749 7.372 -0.477 1.00 1.23 H new ATOM 0 HG2 GLU A 154 -27.499 5.321 0.291 1.00 1.48 H new ATOM 0 HG3 GLU A 154 -26.069 4.876 -0.620 1.00 1.48 H new ATOM 2435 N ASP A 155 -25.041 9.057 -1.716 1.00 0.99 N ATOM 2436 CA ASP A 155 -24.944 10.461 -2.039 1.00 1.07 C ATOM 2437 C ASP A 155 -25.887 11.258 -1.154 1.00 1.02 C ATOM 2438 O ASP A 155 -26.934 11.745 -1.580 1.00 1.15 O ATOM 2439 CB ASP A 155 -25.240 10.671 -3.515 1.00 1.41 C ATOM 2440 CG ASP A 155 -25.051 12.110 -3.951 1.00 1.79 C ATOM 2441 OD1 ASP A 155 -23.900 12.594 -3.940 1.00 2.49 O ATOM 2442 OD2 ASP A 155 -26.049 12.761 -4.317 1.00 1.86 O ATOM 0 H ASP A 155 -25.612 8.508 -2.358 1.00 0.99 H new ATOM 0 HA ASP A 155 -23.931 10.816 -1.850 1.00 1.07 H new ATOM 0 HB2 ASP A 155 -24.589 10.028 -4.107 1.00 1.41 H new ATOM 0 HB3 ASP A 155 -26.265 10.364 -3.723 1.00 1.41 H new ATOM 2447 N ASN A 156 -25.519 11.323 0.112 1.00 1.06 N ATOM 2448 CA ASN A 156 -26.257 12.081 1.105 1.00 1.31 C ATOM 2449 C ASN A 156 -25.463 13.313 1.499 1.00 1.59 C ATOM 2450 O ASN A 156 -24.381 13.152 2.097 1.00 2.09 O ATOM 2451 CB ASN A 156 -26.551 11.223 2.343 1.00 1.55 C ATOM 2452 CG ASN A 156 -27.642 10.187 2.112 1.00 1.93 C ATOM 2453 OD1 ASN A 156 -28.333 9.783 3.046 1.00 2.57 O ATOM 2454 ND2 ASN A 156 -27.812 9.754 0.874 1.00 2.27 N ATOM 2455 OXT ASN A 156 -25.918 14.433 1.201 1.00 2.05 O ATOM 0 H ASN A 156 -24.695 10.849 0.482 1.00 1.06 H new ATOM 0 HA ASN A 156 -27.209 12.387 0.672 1.00 1.31 H new ATOM 0 HB2 ASN A 156 -25.637 10.715 2.650 1.00 1.55 H new ATOM 0 HB3 ASN A 156 -26.846 11.874 3.166 1.00 1.55 H new ATOM 0 HD21 ASN A 156 -28.534 9.063 0.670 1.00 2.27 H new ATOM 0 HD22 ASN A 156 -27.221 10.111 0.123 1.00 2.27 H new