USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=26 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= -0.995 X(o=-0.75,f=-0.45) USER MOD Set 1.2: A 152 ASN : amide:sc= 0.241 X(o=-0.75,f=-0.45) USER MOD Set 2.1: A 30 CYS SG : rot 152:sc= -0.872 USER MOD Set 2.2: A 70 HIS : no HD1:sc= 0.755 K(o=-0.12,f=-4.8!) USER MOD Set 3.1: A 14 ASN : amide:sc= -1.02 K(o=-1.1,f=-1.6!) USER MOD Set 3.2: A 138 ASN : amide:sc= -0.0327 K(o=-1.1,f=0.3) USER MOD Set 4.1: A 8 ASN : amide:sc= -1.23 K(o=-2.3,f=-1.1) USER MOD Set 4.2: A 27 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 3 LYS NZ :NH3+ -124:sc= 1.69 (180deg=0.323) USER MOD Single : A 5 GLN : amide:sc= 0.57 K(o=0.57,f=-2!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 96:sc= 1.17 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.565 K(o=-0.57,f=-1.9) USER MOD Single : A 23 GLN : amide:sc= -1.15 K(o=-1.2,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 40:sc= -0.507! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.18 K(o=-1.2,f=-12!) USER MOD Single : A 59 SER OG : rot 41:sc= 0.029 USER MOD Single : A 71 MET CE :methyl 157:sc= 0 (180deg=-0.566) USER MOD Single : A 75 GLN : amide:sc= -1.35 K(o=-1.3,f=-0.0051) USER MOD Single : A 80 ASN : amide:sc= -0.452 K(o=-0.45,f=-4.7!) USER MOD Single : A 93 THR OG1 : rot -86:sc= 0.651 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.00521 USER MOD Single : A 99 CYS SG : rot -95:sc= 1.2 USER MOD Single : A 100 THR OG1 : rot 129:sc= 1.29 USER MOD Single : A 101 TYR OH : rot 180:sc= 0.147 USER MOD Single : A 111 TYR OH : rot 30:sc= -0.141 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.0627 X(o=-0.063,f=0) USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 TYR OH : rot -172:sc= -2.76! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0594 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 1.09 K(o=1.1,f=-0.2) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot -29:sc= 0.323 USER MOD Single : A 134 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0282) USER MOD Single : A 136 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.2) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 THR OG1 : rot -109:sc= 0.887 USER MOD Single : A 150 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 156 ASN : amide:sc= -2.47! K(o=-2.5!,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -21.073 0.049 6.750 1.00 0.91 N ATOM 19 CA ALA A 2 -19.967 -0.154 5.838 1.00 0.66 C ATOM 20 C ALA A 2 -20.371 -1.139 4.755 1.00 0.57 C ATOM 21 O ALA A 2 -20.879 -2.217 5.047 1.00 0.68 O ATOM 22 CB ALA A 2 -18.738 -0.648 6.585 1.00 1.48 C ATOM 0 HA ALA A 2 -19.714 0.798 5.372 1.00 0.66 H new ATOM 0 HB1 ALA A 2 -17.919 -0.794 5.881 1.00 1.48 H new ATOM 0 HB2 ALA A 2 -18.446 0.089 7.333 1.00 1.48 H new ATOM 0 HB3 ALA A 2 -18.967 -1.593 7.077 1.00 1.48 H new ATOM 28 N LYS A 3 -20.180 -0.762 3.506 1.00 0.46 N ATOM 29 CA LYS A 3 -20.496 -1.657 2.409 1.00 0.45 C ATOM 30 C LYS A 3 -19.289 -2.523 2.072 1.00 0.35 C ATOM 31 O LYS A 3 -19.423 -3.542 1.413 1.00 0.36 O ATOM 32 CB LYS A 3 -20.978 -0.884 1.175 1.00 0.54 C ATOM 33 CG LYS A 3 -22.411 -0.371 1.279 1.00 0.82 C ATOM 34 CD LYS A 3 -22.527 0.818 2.217 1.00 0.81 C ATOM 35 CE LYS A 3 -23.963 1.052 2.666 1.00 0.91 C ATOM 36 NZ LYS A 3 -24.888 1.299 1.527 1.00 0.98 N ATOM 0 H LYS A 3 -19.812 0.147 3.227 1.00 0.46 H new ATOM 0 HA LYS A 3 -21.313 -2.305 2.725 1.00 0.45 H new ATOM 0 HB2 LYS A 3 -20.312 -0.037 1.007 1.00 0.54 H new ATOM 0 HB3 LYS A 3 -20.898 -1.530 0.301 1.00 0.54 H new ATOM 0 HG2 LYS A 3 -22.766 -0.086 0.289 1.00 0.82 H new ATOM 0 HG3 LYS A 3 -23.058 -1.174 1.631 1.00 0.82 H new ATOM 0 HD2 LYS A 3 -21.896 0.654 3.091 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -22.153 1.712 1.718 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -24.309 0.185 3.228 1.00 0.91 H new ATOM 0 HE3 LYS A 3 -23.993 1.905 3.344 1.00 0.91 H new ATOM 0 HZ1 LYS A 3 -25.375 2.207 1.666 1.00 0.98 H new ATOM 0 HZ2 LYS A 3 -24.346 1.329 0.640 1.00 0.98 H new ATOM 0 HZ3 LYS A 3 -25.591 0.534 1.478 1.00 0.98 H new ATOM 50 N VAL A 4 -18.117 -2.120 2.553 1.00 0.32 N ATOM 51 CA VAL A 4 -16.888 -2.879 2.342 1.00 0.29 C ATOM 52 C VAL A 4 -16.058 -2.918 3.621 1.00 0.33 C ATOM 53 O VAL A 4 -15.817 -1.887 4.252 1.00 0.45 O ATOM 54 CB VAL A 4 -16.028 -2.292 1.188 1.00 0.28 C ATOM 55 CG1 VAL A 4 -14.570 -2.710 1.311 1.00 0.31 C ATOM 56 CG2 VAL A 4 -16.573 -2.738 -0.158 1.00 0.27 C ATOM 0 H VAL A 4 -17.992 -1.265 3.096 1.00 0.32 H new ATOM 0 HA VAL A 4 -17.184 -3.890 2.063 1.00 0.29 H new ATOM 0 HB VAL A 4 -16.081 -1.206 1.260 1.00 0.28 H new ATOM 0 HG11 VAL A 4 -13.998 -2.282 0.488 1.00 0.31 H new ATOM 0 HG12 VAL A 4 -14.167 -2.351 2.258 1.00 0.31 H new ATOM 0 HG13 VAL A 4 -14.499 -3.797 1.275 1.00 0.31 H new ATOM 0 HG21 VAL A 4 -15.960 -2.319 -0.956 1.00 0.27 H new ATOM 0 HG22 VAL A 4 -16.551 -3.826 -0.217 1.00 0.27 H new ATOM 0 HG23 VAL A 4 -17.600 -2.390 -0.268 1.00 0.27 H new ATOM 66 N GLN A 5 -15.656 -4.116 4.012 1.00 0.30 N ATOM 67 CA GLN A 5 -14.762 -4.302 5.138 1.00 0.34 C ATOM 68 C GLN A 5 -13.602 -5.207 4.746 1.00 0.31 C ATOM 69 O GLN A 5 -13.801 -6.380 4.422 1.00 0.32 O ATOM 70 CB GLN A 5 -15.519 -4.909 6.316 1.00 0.41 C ATOM 71 CG GLN A 5 -16.461 -3.937 7.007 1.00 0.72 C ATOM 72 CD GLN A 5 -15.731 -2.835 7.752 1.00 0.81 C ATOM 73 OE1 GLN A 5 -15.428 -2.963 8.936 1.00 1.33 O ATOM 74 NE2 GLN A 5 -15.443 -1.743 7.062 1.00 1.39 N ATOM 0 H GLN A 5 -15.941 -4.984 3.558 1.00 0.30 H new ATOM 0 HA GLN A 5 -14.367 -3.330 5.433 1.00 0.34 H new ATOM 0 HB2 GLN A 5 -16.092 -5.767 5.964 1.00 0.41 H new ATOM 0 HB3 GLN A 5 -14.799 -5.283 7.044 1.00 0.41 H new ATOM 0 HG2 GLN A 5 -17.122 -3.490 6.265 1.00 0.72 H new ATOM 0 HG3 GLN A 5 -17.092 -4.486 7.707 1.00 0.72 H new ATOM 0 HE21 GLN A 5 -15.711 -1.674 6.080 1.00 1.39 H new ATOM 0 HE22 GLN A 5 -14.953 -0.970 7.512 1.00 1.39 H new ATOM 83 N VAL A 6 -12.396 -4.659 4.750 1.00 0.32 N ATOM 84 CA VAL A 6 -11.211 -5.445 4.448 1.00 0.34 C ATOM 85 C VAL A 6 -10.846 -6.309 5.649 1.00 0.38 C ATOM 86 O VAL A 6 -10.322 -5.819 6.648 1.00 0.60 O ATOM 87 CB VAL A 6 -10.009 -4.556 4.055 1.00 0.38 C ATOM 88 CG1 VAL A 6 -8.778 -5.407 3.769 1.00 1.12 C ATOM 89 CG2 VAL A 6 -10.355 -3.692 2.848 1.00 1.32 C ATOM 0 H VAL A 6 -12.213 -3.677 4.958 1.00 0.32 H new ATOM 0 HA VAL A 6 -11.444 -6.078 3.592 1.00 0.34 H new ATOM 0 HB VAL A 6 -9.781 -3.900 4.895 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -7.945 -4.760 3.494 1.00 1.12 H new ATOM 0 HG12 VAL A 6 -8.516 -5.979 4.659 1.00 1.12 H new ATOM 0 HG13 VAL A 6 -8.992 -6.092 2.948 1.00 1.12 H new ATOM 0 HG21 VAL A 6 -9.497 -3.073 2.586 1.00 1.32 H new ATOM 0 HG22 VAL A 6 -10.612 -4.332 2.004 1.00 1.32 H new ATOM 0 HG23 VAL A 6 -11.204 -3.052 3.090 1.00 1.32 H new ATOM 99 N ASN A 7 -11.154 -7.592 5.550 1.00 0.32 N ATOM 100 CA ASN A 7 -10.910 -8.522 6.641 1.00 0.36 C ATOM 101 C ASN A 7 -9.514 -9.117 6.528 1.00 0.37 C ATOM 102 O ASN A 7 -8.681 -8.960 7.423 1.00 0.46 O ATOM 103 CB ASN A 7 -11.961 -9.641 6.649 1.00 0.37 C ATOM 104 CG ASN A 7 -13.323 -9.182 7.149 1.00 0.45 C ATOM 105 OD1 ASN A 7 -13.605 -9.222 8.347 1.00 0.96 O ATOM 106 ND2 ASN A 7 -14.187 -8.757 6.238 1.00 0.53 N ATOM 0 H ASN A 7 -11.575 -8.014 4.722 1.00 0.32 H new ATOM 0 HA ASN A 7 -10.984 -7.972 7.579 1.00 0.36 H new ATOM 0 HB2 ASN A 7 -12.067 -10.038 5.639 1.00 0.37 H new ATOM 0 HB3 ASN A 7 -11.607 -10.458 7.277 1.00 0.37 H new ATOM 0 HD21 ASN A 7 -15.118 -8.450 6.522 1.00 0.53 H new ATOM 0 HD22 ASN A 7 -13.921 -8.737 5.253 1.00 0.53 H new ATOM 113 N ASN A 8 -9.258 -9.788 5.416 1.00 0.33 N ATOM 114 CA ASN A 8 -7.983 -10.453 5.210 1.00 0.39 C ATOM 115 C ASN A 8 -7.106 -9.633 4.279 1.00 0.39 C ATOM 116 O ASN A 8 -7.525 -9.271 3.183 1.00 0.48 O ATOM 117 CB ASN A 8 -8.190 -11.857 4.642 1.00 0.44 C ATOM 118 CG ASN A 8 -6.907 -12.669 4.606 1.00 0.70 C ATOM 119 OD1 ASN A 8 -6.701 -13.485 3.708 1.00 1.25 O ATOM 120 ND2 ASN A 8 -6.042 -12.468 5.589 1.00 1.47 N ATOM 0 H ASN A 8 -9.916 -9.886 4.643 1.00 0.33 H new ATOM 0 HA ASN A 8 -7.484 -10.543 6.175 1.00 0.39 H new ATOM 0 HB2 ASN A 8 -8.931 -12.383 5.244 1.00 0.44 H new ATOM 0 HB3 ASN A 8 -8.595 -11.780 3.633 1.00 0.44 H new ATOM 0 HD21 ASN A 8 -5.171 -12.998 5.618 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -6.247 -11.783 6.316 1.00 1.47 H new ATOM 127 N VAL A 9 -5.901 -9.332 4.712 1.00 0.42 N ATOM 128 CA VAL A 9 -4.972 -8.588 3.883 1.00 0.45 C ATOM 129 C VAL A 9 -3.557 -9.153 4.024 1.00 0.50 C ATOM 130 O VAL A 9 -2.902 -9.009 5.059 1.00 0.60 O ATOM 131 CB VAL A 9 -5.019 -7.073 4.204 1.00 0.48 C ATOM 132 CG1 VAL A 9 -4.755 -6.799 5.679 1.00 0.78 C ATOM 133 CG2 VAL A 9 -4.044 -6.308 3.324 1.00 1.01 C ATOM 0 H VAL A 9 -5.540 -9.589 5.631 1.00 0.42 H new ATOM 0 HA VAL A 9 -5.275 -8.702 2.842 1.00 0.45 H new ATOM 0 HB VAL A 9 -6.028 -6.721 3.987 1.00 0.48 H new ATOM 0 HG11 VAL A 9 -4.797 -5.725 5.863 1.00 0.78 H new ATOM 0 HG12 VAL A 9 -5.511 -7.300 6.283 1.00 0.78 H new ATOM 0 HG13 VAL A 9 -3.768 -7.175 5.948 1.00 0.78 H new ATOM 0 HG21 VAL A 9 -4.092 -5.246 3.565 1.00 1.01 H new ATOM 0 HG22 VAL A 9 -3.032 -6.674 3.498 1.00 1.01 H new ATOM 0 HG23 VAL A 9 -4.307 -6.455 2.276 1.00 1.01 H new ATOM 143 N VAL A 10 -3.106 -9.832 2.979 1.00 0.52 N ATOM 144 CA VAL A 10 -1.820 -10.513 3.008 1.00 0.61 C ATOM 145 C VAL A 10 -0.829 -9.882 2.036 1.00 0.47 C ATOM 146 O VAL A 10 -1.217 -9.297 1.022 1.00 0.48 O ATOM 147 CB VAL A 10 -1.962 -12.016 2.697 1.00 0.81 C ATOM 148 CG1 VAL A 10 -2.712 -12.721 3.816 1.00 1.54 C ATOM 149 CG2 VAL A 10 -2.665 -12.229 1.367 1.00 1.24 C ATOM 0 H VAL A 10 -3.613 -9.926 2.099 1.00 0.52 H new ATOM 0 HA VAL A 10 -1.436 -10.403 4.022 1.00 0.61 H new ATOM 0 HB VAL A 10 -0.963 -12.445 2.625 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -2.804 -13.781 3.581 1.00 1.54 H new ATOM 0 HG12 VAL A 10 -2.165 -12.603 4.751 1.00 1.54 H new ATOM 0 HG13 VAL A 10 -3.706 -12.285 3.919 1.00 1.54 H new ATOM 0 HG21 VAL A 10 -2.754 -13.297 1.169 1.00 1.24 H new ATOM 0 HG22 VAL A 10 -3.659 -11.783 1.405 1.00 1.24 H new ATOM 0 HG23 VAL A 10 -2.087 -11.759 0.571 1.00 1.24 H new ATOM 159 N VAL A 11 0.447 -10.006 2.363 1.00 0.44 N ATOM 160 CA VAL A 11 1.509 -9.410 1.577 1.00 0.39 C ATOM 161 C VAL A 11 2.419 -10.500 1.036 1.00 0.41 C ATOM 162 O VAL A 11 3.141 -11.156 1.787 1.00 0.52 O ATOM 163 CB VAL A 11 2.345 -8.409 2.403 1.00 0.48 C ATOM 164 CG1 VAL A 11 3.390 -7.738 1.525 1.00 0.81 C ATOM 165 CG2 VAL A 11 1.452 -7.370 3.063 1.00 0.91 C ATOM 0 H VAL A 11 0.773 -10.522 3.180 1.00 0.44 H new ATOM 0 HA VAL A 11 1.045 -8.864 0.756 1.00 0.39 H new ATOM 0 HB VAL A 11 2.858 -8.962 3.190 1.00 0.48 H new ATOM 0 HG11 VAL A 11 3.971 -7.035 2.123 1.00 0.81 H new ATOM 0 HG12 VAL A 11 4.054 -8.495 1.107 1.00 0.81 H new ATOM 0 HG13 VAL A 11 2.895 -7.202 0.715 1.00 0.81 H new ATOM 0 HG21 VAL A 11 2.065 -6.677 3.639 1.00 0.91 H new ATOM 0 HG22 VAL A 11 0.905 -6.821 2.297 1.00 0.91 H new ATOM 0 HG23 VAL A 11 0.745 -7.867 3.727 1.00 0.91 H new ATOM 175 N LEU A 12 2.372 -10.698 -0.264 1.00 0.40 N ATOM 176 CA LEU A 12 3.155 -11.738 -0.908 1.00 0.45 C ATOM 177 C LEU A 12 4.525 -11.213 -1.291 1.00 0.57 C ATOM 178 O LEU A 12 5.479 -11.968 -1.462 1.00 1.18 O ATOM 179 CB LEU A 12 2.428 -12.239 -2.148 1.00 0.50 C ATOM 180 CG LEU A 12 1.163 -13.058 -1.876 1.00 0.55 C ATOM 181 CD1 LEU A 12 0.009 -12.164 -1.455 1.00 0.92 C ATOM 182 CD2 LEU A 12 0.782 -13.867 -3.096 1.00 1.16 C ATOM 0 H LEU A 12 1.796 -10.149 -0.902 1.00 0.40 H new ATOM 0 HA LEU A 12 3.282 -12.563 -0.207 1.00 0.45 H new ATOM 0 HB2 LEU A 12 2.160 -11.381 -2.764 1.00 0.50 H new ATOM 0 HB3 LEU A 12 3.117 -12.848 -2.732 1.00 0.50 H new ATOM 0 HG LEU A 12 1.378 -13.742 -1.055 1.00 0.55 H new ATOM 0 HD11 LEU A 12 -0.875 -12.774 -1.269 1.00 0.92 H new ATOM 0 HD12 LEU A 12 0.278 -11.627 -0.545 1.00 0.92 H new ATOM 0 HD13 LEU A 12 -0.205 -11.448 -2.249 1.00 0.92 H new ATOM 0 HD21 LEU A 12 -0.119 -14.443 -2.884 1.00 1.16 H new ATOM 0 HD22 LEU A 12 0.595 -13.196 -3.934 1.00 1.16 H new ATOM 0 HD23 LEU A 12 1.595 -14.547 -3.350 1.00 1.16 H new ATOM 194 N ASP A 13 4.603 -9.903 -1.410 1.00 0.84 N ATOM 195 CA ASP A 13 5.824 -9.225 -1.809 1.00 1.01 C ATOM 196 C ASP A 13 6.876 -9.253 -0.709 1.00 0.85 C ATOM 197 O ASP A 13 8.062 -9.092 -0.963 1.00 1.01 O ATOM 198 CB ASP A 13 5.481 -7.790 -2.190 1.00 1.29 C ATOM 199 CG ASP A 13 6.694 -6.897 -2.316 1.00 2.15 C ATOM 200 OD1 ASP A 13 7.456 -7.049 -3.290 1.00 2.73 O ATOM 201 OD2 ASP A 13 6.900 -6.063 -1.435 1.00 2.57 O ATOM 0 H ASP A 13 3.819 -9.275 -1.232 1.00 0.84 H new ATOM 0 HA ASP A 13 6.253 -9.747 -2.664 1.00 1.01 H new ATOM 0 HB2 ASP A 13 4.941 -7.792 -3.137 1.00 1.29 H new ATOM 0 HB3 ASP A 13 4.808 -7.373 -1.440 1.00 1.29 H new ATOM 206 N ASN A 14 6.442 -9.500 0.505 1.00 0.68 N ATOM 207 CA ASN A 14 7.344 -9.435 1.646 1.00 0.63 C ATOM 208 C ASN A 14 8.023 -10.776 1.907 1.00 0.57 C ATOM 209 O ASN A 14 7.351 -11.792 2.090 1.00 0.67 O ATOM 210 CB ASN A 14 6.579 -9.013 2.899 1.00 0.78 C ATOM 211 CG ASN A 14 7.492 -8.857 4.097 1.00 0.96 C ATOM 212 OD1 ASN A 14 8.640 -8.451 3.961 1.00 1.88 O ATOM 213 ND2 ASN A 14 6.995 -9.193 5.274 1.00 1.40 N ATOM 0 H ASN A 14 5.479 -9.746 0.734 1.00 0.68 H new ATOM 0 HA ASN A 14 8.112 -8.699 1.410 1.00 0.63 H new ATOM 0 HB2 ASN A 14 6.065 -8.070 2.710 1.00 0.78 H new ATOM 0 HB3 ASN A 14 5.812 -9.755 3.122 1.00 0.78 H new ATOM 0 HD21 ASN A 14 7.572 -9.119 6.112 1.00 1.40 H new ATOM 0 HD22 ASN A 14 6.034 -9.527 5.345 1.00 1.40 H new ATOM 220 N PRO A 15 9.366 -10.806 1.922 1.00 0.51 N ATOM 221 CA PRO A 15 10.221 -9.715 1.467 1.00 0.45 C ATOM 222 C PRO A 15 10.824 -9.989 0.083 1.00 0.44 C ATOM 223 O PRO A 15 11.153 -11.133 -0.248 1.00 0.48 O ATOM 224 CB PRO A 15 11.319 -9.713 2.532 1.00 0.48 C ATOM 225 CG PRO A 15 11.339 -11.111 3.101 1.00 0.57 C ATOM 226 CD PRO A 15 10.184 -11.874 2.488 1.00 0.60 C ATOM 0 HA PRO A 15 9.686 -8.772 1.359 1.00 0.45 H new ATOM 0 HB2 PRO A 15 12.285 -9.453 2.098 1.00 0.48 H new ATOM 0 HB3 PRO A 15 11.110 -8.977 3.309 1.00 0.48 H new ATOM 0 HG2 PRO A 15 12.285 -11.603 2.875 1.00 0.57 H new ATOM 0 HG3 PRO A 15 11.246 -11.083 4.187 1.00 0.57 H new ATOM 0 HD2 PRO A 15 10.520 -12.576 1.725 1.00 0.60 H new ATOM 0 HD3 PRO A 15 9.638 -12.452 3.234 1.00 0.60 H new ATOM 234 N SER A 16 10.981 -8.948 -0.722 1.00 0.42 N ATOM 235 CA SER A 16 11.494 -9.115 -2.082 1.00 0.47 C ATOM 236 C SER A 16 12.269 -7.880 -2.529 1.00 0.45 C ATOM 237 O SER A 16 12.132 -6.816 -1.933 1.00 0.43 O ATOM 238 CB SER A 16 10.341 -9.379 -3.056 1.00 0.59 C ATOM 239 OG SER A 16 9.571 -10.496 -2.652 1.00 0.77 O ATOM 0 H SER A 16 10.764 -7.985 -0.464 1.00 0.42 H new ATOM 0 HA SER A 16 12.170 -9.970 -2.083 1.00 0.47 H new ATOM 0 HB2 SER A 16 9.703 -8.497 -3.115 1.00 0.59 H new ATOM 0 HB3 SER A 16 10.739 -9.552 -4.056 1.00 0.59 H new ATOM 0 HG SER A 16 8.792 -10.189 -2.143 1.00 0.77 H new ATOM 245 N PRO A 17 13.110 -8.013 -3.573 1.00 0.52 N ATOM 246 CA PRO A 17 13.847 -6.881 -4.146 1.00 0.52 C ATOM 247 C PRO A 17 12.924 -5.739 -4.567 1.00 0.48 C ATOM 248 O PRO A 17 11.797 -5.971 -5.019 1.00 0.58 O ATOM 249 CB PRO A 17 14.536 -7.485 -5.373 1.00 0.60 C ATOM 250 CG PRO A 17 14.638 -8.939 -5.076 1.00 0.83 C ATOM 251 CD PRO A 17 13.423 -9.278 -4.262 1.00 0.63 C ATOM 0 HA PRO A 17 14.537 -6.442 -3.425 1.00 0.52 H new ATOM 0 HB2 PRO A 17 13.957 -7.306 -6.279 1.00 0.60 H new ATOM 0 HB3 PRO A 17 15.520 -7.044 -5.531 1.00 0.60 H new ATOM 0 HG2 PRO A 17 14.668 -9.524 -5.995 1.00 0.83 H new ATOM 0 HG3 PRO A 17 15.552 -9.162 -4.526 1.00 0.83 H new ATOM 0 HD2 PRO A 17 12.597 -9.608 -4.892 1.00 0.63 H new ATOM 0 HD3 PRO A 17 13.625 -10.082 -3.554 1.00 0.63 H new ATOM 259 N PHE A 18 13.414 -4.512 -4.421 1.00 0.41 N ATOM 260 CA PHE A 18 12.637 -3.315 -4.738 1.00 0.37 C ATOM 261 C PHE A 18 12.102 -3.323 -6.174 1.00 0.36 C ATOM 262 O PHE A 18 10.983 -2.874 -6.419 1.00 0.37 O ATOM 263 CB PHE A 18 13.486 -2.057 -4.504 1.00 0.38 C ATOM 264 CG PHE A 18 13.013 -0.861 -5.284 1.00 0.34 C ATOM 265 CD1 PHE A 18 11.918 -0.125 -4.864 1.00 0.35 C ATOM 266 CD2 PHE A 18 13.657 -0.488 -6.453 1.00 0.35 C ATOM 267 CE1 PHE A 18 11.474 0.958 -5.599 1.00 0.37 C ATOM 268 CE2 PHE A 18 13.224 0.594 -7.188 1.00 0.36 C ATOM 269 CZ PHE A 18 12.127 1.319 -6.761 1.00 0.37 C ATOM 0 H PHE A 18 14.356 -4.318 -4.081 1.00 0.41 H new ATOM 0 HA PHE A 18 11.774 -3.309 -4.072 1.00 0.37 H new ATOM 0 HB2 PHE A 18 13.477 -1.815 -3.441 1.00 0.38 H new ATOM 0 HB3 PHE A 18 14.520 -2.271 -4.773 1.00 0.38 H new ATOM 0 HD1 PHE A 18 11.406 -0.400 -3.954 1.00 0.35 H new ATOM 0 HD2 PHE A 18 14.511 -1.054 -6.793 1.00 0.35 H new ATOM 0 HE1 PHE A 18 10.616 1.522 -5.264 1.00 0.37 H new ATOM 0 HE2 PHE A 18 13.740 0.875 -8.094 1.00 0.36 H new ATOM 0 HZ PHE A 18 11.781 2.166 -7.335 1.00 0.37 H new ATOM 279 N TYR A 19 12.893 -3.840 -7.113 1.00 0.38 N ATOM 280 CA TYR A 19 12.534 -3.786 -8.532 1.00 0.41 C ATOM 281 C TYR A 19 11.404 -4.752 -8.890 1.00 0.44 C ATOM 282 O TYR A 19 10.989 -4.834 -10.049 1.00 0.52 O ATOM 283 CB TYR A 19 13.758 -4.052 -9.408 1.00 0.45 C ATOM 284 CG TYR A 19 14.571 -2.809 -9.698 1.00 0.46 C ATOM 285 CD1 TYR A 19 14.233 -1.975 -10.755 1.00 0.52 C ATOM 286 CD2 TYR A 19 15.669 -2.465 -8.920 1.00 0.58 C ATOM 287 CE1 TYR A 19 14.965 -0.836 -11.032 1.00 0.56 C ATOM 288 CE2 TYR A 19 16.409 -1.328 -9.191 1.00 0.64 C ATOM 289 CZ TYR A 19 16.051 -0.516 -10.246 1.00 0.57 C ATOM 290 OH TYR A 19 16.788 0.616 -10.525 1.00 0.65 O ATOM 0 H TYR A 19 13.783 -4.299 -6.920 1.00 0.38 H new ATOM 0 HA TYR A 19 12.167 -2.778 -8.725 1.00 0.41 H new ATOM 0 HB2 TYR A 19 14.395 -4.787 -8.916 1.00 0.45 H new ATOM 0 HB3 TYR A 19 13.432 -4.492 -10.350 1.00 0.45 H new ATOM 0 HD1 TYR A 19 13.382 -2.221 -11.373 1.00 0.52 H new ATOM 0 HD2 TYR A 19 15.950 -3.096 -8.090 1.00 0.58 H new ATOM 0 HE1 TYR A 19 14.688 -0.200 -11.860 1.00 0.56 H new ATOM 0 HE2 TYR A 19 17.263 -1.078 -8.579 1.00 0.64 H new ATOM 0 HH TYR A 19 17.518 0.699 -9.877 1.00 0.65 H new ATOM 300 N ASN A 20 10.896 -5.470 -7.907 1.00 0.44 N ATOM 301 CA ASN A 20 9.744 -6.323 -8.120 1.00 0.48 C ATOM 302 C ASN A 20 8.493 -5.553 -7.686 1.00 0.42 C ATOM 303 O ASN A 20 8.585 -4.671 -6.837 1.00 0.52 O ATOM 304 CB ASN A 20 9.930 -7.653 -7.365 1.00 0.61 C ATOM 305 CG ASN A 20 8.863 -7.930 -6.327 1.00 1.03 C ATOM 306 OD1 ASN A 20 7.865 -8.593 -6.607 1.00 2.07 O ATOM 307 ND2 ASN A 20 9.081 -7.438 -5.123 1.00 0.69 N ATOM 0 H ASN A 20 11.262 -5.479 -6.955 1.00 0.44 H new ATOM 0 HA ASN A 20 9.631 -6.584 -9.172 1.00 0.48 H new ATOM 0 HB2 ASN A 20 9.940 -8.470 -8.087 1.00 0.61 H new ATOM 0 HB3 ASN A 20 10.904 -7.648 -6.876 1.00 0.61 H new ATOM 0 HD21 ASN A 20 8.407 -7.601 -4.375 1.00 0.69 H new ATOM 0 HD22 ASN A 20 9.924 -6.894 -4.939 1.00 0.69 H new ATOM 314 N PRO A 21 7.333 -5.814 -8.299 1.00 0.41 N ATOM 315 CA PRO A 21 6.103 -5.064 -8.010 1.00 0.38 C ATOM 316 C PRO A 21 5.552 -5.326 -6.606 1.00 0.35 C ATOM 317 O PRO A 21 5.712 -6.415 -6.060 1.00 0.42 O ATOM 318 CB PRO A 21 5.108 -5.570 -9.067 1.00 0.44 C ATOM 319 CG PRO A 21 5.929 -6.302 -10.075 1.00 0.62 C ATOM 320 CD PRO A 21 7.116 -6.836 -9.329 1.00 0.57 C ATOM 0 HA PRO A 21 6.284 -3.990 -8.045 1.00 0.38 H new ATOM 0 HB2 PRO A 21 4.361 -6.226 -8.620 1.00 0.44 H new ATOM 0 HB3 PRO A 21 4.570 -4.741 -9.527 1.00 0.44 H new ATOM 0 HG2 PRO A 21 5.358 -7.111 -10.531 1.00 0.62 H new ATOM 0 HG3 PRO A 21 6.241 -5.638 -10.881 1.00 0.62 H new ATOM 0 HD2 PRO A 21 6.914 -7.814 -8.893 1.00 0.57 H new ATOM 0 HD3 PRO A 21 7.985 -6.949 -9.977 1.00 0.57 H new ATOM 328 N PHE A 22 4.904 -4.312 -6.027 1.00 0.33 N ATOM 329 CA PHE A 22 4.187 -4.477 -4.767 1.00 0.34 C ATOM 330 C PHE A 22 3.075 -5.494 -4.953 1.00 0.33 C ATOM 331 O PHE A 22 2.109 -5.258 -5.682 1.00 0.41 O ATOM 332 CB PHE A 22 3.603 -3.148 -4.271 1.00 0.37 C ATOM 333 CG PHE A 22 4.568 -2.303 -3.484 1.00 0.39 C ATOM 334 CD1 PHE A 22 5.408 -1.404 -4.120 1.00 0.49 C ATOM 335 CD2 PHE A 22 4.628 -2.404 -2.101 1.00 0.43 C ATOM 336 CE1 PHE A 22 6.288 -0.626 -3.394 1.00 0.57 C ATOM 337 CE2 PHE A 22 5.505 -1.628 -1.373 1.00 0.53 C ATOM 338 CZ PHE A 22 6.336 -0.737 -2.021 1.00 0.58 C ATOM 0 H PHE A 22 4.863 -3.369 -6.413 1.00 0.33 H new ATOM 0 HA PHE A 22 4.893 -4.829 -4.014 1.00 0.34 H new ATOM 0 HB2 PHE A 22 3.253 -2.575 -5.130 1.00 0.37 H new ATOM 0 HB3 PHE A 22 2.731 -3.357 -3.651 1.00 0.37 H new ATOM 0 HD1 PHE A 22 5.374 -1.310 -5.195 1.00 0.49 H new ATOM 0 HD2 PHE A 22 3.980 -3.099 -1.589 1.00 0.43 H new ATOM 0 HE1 PHE A 22 6.939 0.070 -3.902 1.00 0.57 H new ATOM 0 HE2 PHE A 22 5.541 -1.717 -0.297 1.00 0.53 H new ATOM 0 HZ PHE A 22 7.023 -0.127 -1.453 1.00 0.58 H new ATOM 348 N GLN A 23 3.229 -6.625 -4.300 1.00 0.31 N ATOM 349 CA GLN A 23 2.345 -7.755 -4.493 1.00 0.34 C ATOM 350 C GLN A 23 1.449 -7.967 -3.274 1.00 0.33 C ATOM 351 O GLN A 23 1.869 -8.549 -2.267 1.00 0.38 O ATOM 352 CB GLN A 23 3.199 -8.992 -4.772 1.00 0.45 C ATOM 353 CG GLN A 23 2.412 -10.255 -5.040 1.00 0.97 C ATOM 354 CD GLN A 23 3.317 -11.419 -5.402 1.00 0.90 C ATOM 355 OE1 GLN A 23 2.935 -12.312 -6.155 1.00 1.41 O ATOM 356 NE2 GLN A 23 4.529 -11.411 -4.867 1.00 1.13 N ATOM 0 H GLN A 23 3.971 -6.788 -3.619 1.00 0.31 H new ATOM 0 HA GLN A 23 1.686 -7.566 -5.340 1.00 0.34 H new ATOM 0 HB2 GLN A 23 3.838 -8.789 -5.631 1.00 0.45 H new ATOM 0 HB3 GLN A 23 3.856 -9.163 -3.919 1.00 0.45 H new ATOM 0 HG2 GLN A 23 1.826 -10.512 -4.158 1.00 0.97 H new ATOM 0 HG3 GLN A 23 1.706 -10.078 -5.851 1.00 0.97 H new ATOM 0 HE21 GLN A 23 4.808 -10.651 -4.246 1.00 1.13 H new ATOM 0 HE22 GLN A 23 5.184 -12.165 -5.076 1.00 1.13 H new ATOM 365 N PHE A 24 0.221 -7.472 -3.363 1.00 0.31 N ATOM 366 CA PHE A 24 -0.752 -7.619 -2.290 1.00 0.33 C ATOM 367 C PHE A 24 -1.893 -8.529 -2.722 1.00 0.36 C ATOM 368 O PHE A 24 -2.196 -8.638 -3.909 1.00 0.50 O ATOM 369 CB PHE A 24 -1.339 -6.261 -1.894 1.00 0.31 C ATOM 370 CG PHE A 24 -0.374 -5.329 -1.222 1.00 0.29 C ATOM 371 CD1 PHE A 24 -0.150 -5.408 0.142 1.00 0.31 C ATOM 372 CD2 PHE A 24 0.323 -4.390 -1.960 1.00 0.32 C ATOM 373 CE1 PHE A 24 0.757 -4.567 0.760 1.00 0.31 C ATOM 374 CE2 PHE A 24 1.229 -3.541 -1.348 1.00 0.32 C ATOM 375 CZ PHE A 24 1.381 -3.573 0.031 1.00 0.30 C ATOM 0 H PHE A 24 -0.126 -6.961 -4.175 1.00 0.31 H new ATOM 0 HA PHE A 24 -0.232 -8.055 -1.437 1.00 0.33 H new ATOM 0 HB2 PHE A 24 -1.728 -5.775 -2.788 1.00 0.31 H new ATOM 0 HB3 PHE A 24 -2.185 -6.427 -1.227 1.00 0.31 H new ATOM 0 HD1 PHE A 24 -0.690 -6.135 0.730 1.00 0.31 H new ATOM 0 HD2 PHE A 24 0.159 -4.318 -3.025 1.00 0.32 H new ATOM 0 HE1 PHE A 24 0.977 -4.687 1.810 1.00 0.31 H new ATOM 0 HE2 PHE A 24 1.816 -2.856 -1.942 1.00 0.32 H new ATOM 0 HZ PHE A 24 1.982 -2.827 0.530 1.00 0.30 H new ATOM 385 N GLU A 25 -2.522 -9.173 -1.754 1.00 0.31 N ATOM 386 CA GLU A 25 -3.734 -9.935 -2.002 1.00 0.34 C ATOM 387 C GLU A 25 -4.794 -9.517 -0.989 1.00 0.32 C ATOM 388 O GLU A 25 -4.713 -9.850 0.196 1.00 0.35 O ATOM 389 CB GLU A 25 -3.453 -11.437 -1.927 1.00 0.43 C ATOM 390 CG GLU A 25 -4.620 -12.307 -2.365 1.00 0.97 C ATOM 391 CD GLU A 25 -4.276 -13.782 -2.350 1.00 1.43 C ATOM 392 OE1 GLU A 25 -4.037 -14.329 -1.252 1.00 1.72 O ATOM 393 OE2 GLU A 25 -4.247 -14.405 -3.434 1.00 1.98 O ATOM 0 H GLU A 25 -2.211 -9.183 -0.783 1.00 0.31 H new ATOM 0 HA GLU A 25 -4.101 -9.727 -3.007 1.00 0.34 H new ATOM 0 HB2 GLU A 25 -2.588 -11.666 -2.550 1.00 0.43 H new ATOM 0 HB3 GLU A 25 -3.185 -11.695 -0.903 1.00 0.43 H new ATOM 0 HG2 GLU A 25 -5.470 -12.128 -1.707 1.00 0.97 H new ATOM 0 HG3 GLU A 25 -4.928 -12.018 -3.370 1.00 0.97 H new ATOM 400 N ILE A 26 -5.759 -8.748 -1.459 1.00 0.30 N ATOM 401 CA ILE A 26 -6.740 -8.121 -0.589 1.00 0.30 C ATOM 402 C ILE A 26 -8.053 -8.895 -0.569 1.00 0.29 C ATOM 403 O ILE A 26 -8.637 -9.186 -1.615 1.00 0.32 O ATOM 404 CB ILE A 26 -7.020 -6.677 -1.048 1.00 0.30 C ATOM 405 CG1 ILE A 26 -5.707 -5.912 -1.230 1.00 0.30 C ATOM 406 CG2 ILE A 26 -7.917 -5.966 -0.044 1.00 0.36 C ATOM 407 CD1 ILE A 26 -5.867 -4.614 -1.989 1.00 0.29 C ATOM 0 H ILE A 26 -5.886 -8.540 -2.450 1.00 0.30 H new ATOM 0 HA ILE A 26 -6.321 -8.119 0.417 1.00 0.30 H new ATOM 0 HB ILE A 26 -7.536 -6.711 -2.008 1.00 0.30 H new ATOM 0 HG12 ILE A 26 -5.280 -5.701 -0.250 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -4.995 -6.547 -1.758 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -8.106 -4.947 -0.382 1.00 0.36 H new ATOM 0 HG22 ILE A 26 -8.863 -6.501 0.042 1.00 0.36 H new ATOM 0 HG23 ILE A 26 -7.426 -5.940 0.929 1.00 0.36 H new ATOM 0 HD11 ILE A 26 -4.897 -4.124 -2.081 1.00 0.29 H new ATOM 0 HD12 ILE A 26 -6.265 -4.820 -2.982 1.00 0.29 H new ATOM 0 HD13 ILE A 26 -6.554 -3.960 -1.451 1.00 0.29 H new ATOM 419 N THR A 27 -8.510 -9.224 0.627 1.00 0.31 N ATOM 420 CA THR A 27 -9.803 -9.852 0.806 1.00 0.30 C ATOM 421 C THR A 27 -10.735 -8.908 1.560 1.00 0.27 C ATOM 422 O THR A 27 -10.600 -8.714 2.772 1.00 0.29 O ATOM 423 CB THR A 27 -9.669 -11.173 1.590 1.00 0.36 C ATOM 424 OG1 THR A 27 -8.684 -12.009 0.973 1.00 0.46 O ATOM 425 CG2 THR A 27 -11.000 -11.912 1.658 1.00 0.34 C ATOM 0 H THR A 27 -7.998 -9.064 1.494 1.00 0.31 H new ATOM 0 HA THR A 27 -10.216 -10.071 -0.179 1.00 0.30 H new ATOM 0 HB THR A 27 -9.359 -10.932 2.607 1.00 0.36 H new ATOM 0 HG1 THR A 27 -8.603 -12.846 1.477 1.00 0.46 H new ATOM 0 HG21 THR A 27 -10.873 -12.839 2.217 1.00 0.34 H new ATOM 0 HG22 THR A 27 -11.739 -11.285 2.157 1.00 0.34 H new ATOM 0 HG23 THR A 27 -11.341 -12.141 0.648 1.00 0.34 H new ATOM 433 N PHE A 28 -11.678 -8.325 0.842 1.00 0.23 N ATOM 434 CA PHE A 28 -12.610 -7.388 1.430 1.00 0.22 C ATOM 435 C PHE A 28 -14.026 -7.893 1.233 1.00 0.21 C ATOM 436 O PHE A 28 -14.381 -8.380 0.161 1.00 0.20 O ATOM 437 CB PHE A 28 -12.441 -5.996 0.810 1.00 0.21 C ATOM 438 CG PHE A 28 -12.820 -5.918 -0.643 1.00 0.20 C ATOM 439 CD1 PHE A 28 -11.978 -6.415 -1.625 1.00 0.23 C ATOM 440 CD2 PHE A 28 -14.024 -5.348 -1.024 1.00 0.22 C ATOM 441 CE1 PHE A 28 -12.330 -6.341 -2.958 1.00 0.26 C ATOM 442 CE2 PHE A 28 -14.379 -5.274 -2.355 1.00 0.26 C ATOM 443 CZ PHE A 28 -13.532 -5.771 -3.323 1.00 0.28 C ATOM 0 H PHE A 28 -11.817 -8.487 -0.155 1.00 0.23 H new ATOM 0 HA PHE A 28 -12.406 -7.305 2.498 1.00 0.22 H new ATOM 0 HB2 PHE A 28 -13.048 -5.285 1.371 1.00 0.21 H new ATOM 0 HB3 PHE A 28 -11.402 -5.685 0.920 1.00 0.21 H new ATOM 0 HD1 PHE A 28 -11.037 -6.865 -1.345 1.00 0.23 H new ATOM 0 HD2 PHE A 28 -14.692 -4.957 -0.271 1.00 0.22 H new ATOM 0 HE1 PHE A 28 -11.664 -6.729 -3.715 1.00 0.26 H new ATOM 0 HE2 PHE A 28 -15.320 -4.827 -2.639 1.00 0.26 H new ATOM 0 HZ PHE A 28 -13.809 -5.714 -4.365 1.00 0.28 H new ATOM 453 N GLU A 29 -14.825 -7.792 2.266 1.00 0.22 N ATOM 454 CA GLU A 29 -16.179 -8.289 2.214 1.00 0.23 C ATOM 455 C GLU A 29 -17.161 -7.146 2.070 1.00 0.25 C ATOM 456 O GLU A 29 -17.222 -6.250 2.916 1.00 0.29 O ATOM 457 CB GLU A 29 -16.482 -9.105 3.465 1.00 0.26 C ATOM 458 CG GLU A 29 -17.917 -9.592 3.558 1.00 0.33 C ATOM 459 CD GLU A 29 -18.116 -10.523 4.726 1.00 0.41 C ATOM 460 OE1 GLU A 29 -18.088 -10.045 5.876 1.00 0.77 O ATOM 461 OE2 GLU A 29 -18.351 -11.728 4.501 1.00 0.67 O ATOM 0 H GLU A 29 -14.561 -7.369 3.156 1.00 0.22 H new ATOM 0 HA GLU A 29 -16.283 -8.935 1.342 1.00 0.23 H new ATOM 0 HB2 GLU A 29 -15.815 -9.967 3.493 1.00 0.26 H new ATOM 0 HB3 GLU A 29 -16.258 -8.500 4.343 1.00 0.26 H new ATOM 0 HG2 GLU A 29 -18.586 -8.737 3.656 1.00 0.33 H new ATOM 0 HG3 GLU A 29 -18.188 -10.104 2.635 1.00 0.33 H new ATOM 468 N CYS A 30 -17.899 -7.164 0.979 1.00 0.24 N ATOM 469 CA CYS A 30 -18.955 -6.204 0.769 1.00 0.28 C ATOM 470 C CYS A 30 -20.180 -6.618 1.566 1.00 0.33 C ATOM 471 O CYS A 30 -20.916 -7.520 1.166 1.00 0.35 O ATOM 472 CB CYS A 30 -19.290 -6.095 -0.717 1.00 0.29 C ATOM 473 SG CYS A 30 -17.872 -5.675 -1.757 1.00 0.51 S ATOM 0 H CYS A 30 -17.783 -7.838 0.222 1.00 0.24 H new ATOM 0 HA CYS A 30 -18.623 -5.224 1.111 1.00 0.28 H new ATOM 0 HB2 CYS A 30 -19.709 -7.043 -1.056 1.00 0.29 H new ATOM 0 HB3 CYS A 30 -20.063 -5.339 -0.851 1.00 0.29 H new ATOM 0 HG CYS A 30 -18.047 -6.165 -2.948 1.00 0.51 H new ATOM 479 N ILE A 31 -20.368 -5.977 2.715 1.00 0.39 N ATOM 480 CA ILE A 31 -21.501 -6.270 3.585 1.00 0.45 C ATOM 481 C ILE A 31 -22.791 -5.914 2.868 1.00 0.48 C ATOM 482 O ILE A 31 -23.833 -6.544 3.055 1.00 0.53 O ATOM 483 CB ILE A 31 -21.450 -5.452 4.892 1.00 0.49 C ATOM 484 CG1 ILE A 31 -20.039 -5.423 5.478 1.00 0.46 C ATOM 485 CG2 ILE A 31 -22.423 -6.029 5.907 1.00 0.57 C ATOM 486 CD1 ILE A 31 -19.918 -4.521 6.690 1.00 0.52 C ATOM 0 H ILE A 31 -19.747 -5.248 3.066 1.00 0.39 H new ATOM 0 HA ILE A 31 -21.457 -7.332 3.829 1.00 0.45 H new ATOM 0 HB ILE A 31 -21.738 -4.427 4.657 1.00 0.49 H new ATOM 0 HG12 ILE A 31 -19.746 -6.436 5.755 1.00 0.46 H new ATOM 0 HG13 ILE A 31 -19.340 -5.088 4.712 1.00 0.46 H new ATOM 0 HG21 ILE A 31 -22.379 -5.444 6.826 1.00 0.57 H new ATOM 0 HG22 ILE A 31 -23.434 -5.994 5.502 1.00 0.57 H new ATOM 0 HG23 ILE A 31 -22.154 -7.063 6.122 1.00 0.57 H new ATOM 0 HD11 ILE A 31 -18.893 -4.544 7.059 1.00 0.52 H new ATOM 0 HD12 ILE A 31 -20.181 -3.500 6.412 1.00 0.52 H new ATOM 0 HD13 ILE A 31 -20.593 -4.869 7.472 1.00 0.52 H new ATOM 498 N GLU A 32 -22.687 -4.907 2.028 1.00 0.49 N ATOM 499 CA GLU A 32 -23.821 -4.350 1.335 1.00 0.53 C ATOM 500 C GLU A 32 -23.375 -4.000 -0.080 1.00 0.52 C ATOM 501 O GLU A 32 -22.187 -3.774 -0.305 1.00 0.51 O ATOM 502 CB GLU A 32 -24.298 -3.114 2.103 1.00 0.60 C ATOM 503 CG GLU A 32 -25.806 -2.926 2.122 1.00 0.84 C ATOM 504 CD GLU A 32 -26.352 -2.388 0.823 1.00 1.25 C ATOM 505 OE1 GLU A 32 -26.341 -1.153 0.638 1.00 1.83 O ATOM 506 OE2 GLU A 32 -26.782 -3.205 -0.019 1.00 1.53 O ATOM 0 H GLU A 32 -21.802 -4.450 1.807 1.00 0.49 H new ATOM 0 HA GLU A 32 -24.652 -5.053 1.276 1.00 0.53 H new ATOM 0 HB2 GLU A 32 -23.940 -3.180 3.130 1.00 0.60 H new ATOM 0 HB3 GLU A 32 -23.840 -2.229 1.662 1.00 0.60 H new ATOM 0 HG2 GLU A 32 -26.282 -3.881 2.341 1.00 0.84 H new ATOM 0 HG3 GLU A 32 -26.071 -2.245 2.930 1.00 0.84 H new ATOM 513 N ASP A 33 -24.300 -3.969 -1.025 1.00 0.62 N ATOM 514 CA ASP A 33 -23.941 -3.784 -2.427 1.00 0.65 C ATOM 515 C ASP A 33 -23.554 -2.332 -2.692 1.00 0.65 C ATOM 516 O ASP A 33 -24.288 -1.409 -2.334 1.00 0.79 O ATOM 517 CB ASP A 33 -25.103 -4.205 -3.328 1.00 0.76 C ATOM 518 CG ASP A 33 -24.675 -4.444 -4.760 1.00 1.44 C ATOM 519 OD1 ASP A 33 -24.026 -5.473 -5.033 1.00 2.18 O ATOM 520 OD2 ASP A 33 -24.976 -3.589 -5.623 1.00 2.01 O ATOM 0 H ASP A 33 -25.300 -4.069 -0.852 1.00 0.62 H new ATOM 0 HA ASP A 33 -23.080 -4.413 -2.654 1.00 0.65 H new ATOM 0 HB2 ASP A 33 -25.554 -5.115 -2.931 1.00 0.76 H new ATOM 0 HB3 ASP A 33 -25.872 -3.433 -3.307 1.00 0.76 H new ATOM 525 N LEU A 34 -22.393 -2.131 -3.307 1.00 0.57 N ATOM 526 CA LEU A 34 -21.894 -0.789 -3.560 1.00 0.57 C ATOM 527 C LEU A 34 -22.636 -0.163 -4.725 1.00 0.64 C ATOM 528 O LEU A 34 -22.762 -0.761 -5.793 1.00 0.71 O ATOM 529 CB LEU A 34 -20.387 -0.807 -3.858 1.00 0.55 C ATOM 530 CG LEU A 34 -19.452 -0.953 -2.649 1.00 0.81 C ATOM 531 CD1 LEU A 34 -19.628 0.209 -1.693 1.00 1.52 C ATOM 532 CD2 LEU A 34 -19.678 -2.271 -1.925 1.00 1.41 C ATOM 0 H LEU A 34 -21.784 -2.879 -3.637 1.00 0.57 H new ATOM 0 HA LEU A 34 -22.063 -0.194 -2.662 1.00 0.57 H new ATOM 0 HB2 LEU A 34 -20.185 -1.627 -4.547 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -20.131 0.116 -4.378 1.00 0.55 H new ATOM 0 HG LEU A 34 -18.428 -0.948 -3.024 1.00 0.81 H new ATOM 0 HD11 LEU A 34 -18.956 0.086 -0.843 1.00 1.52 H new ATOM 0 HD12 LEU A 34 -19.396 1.142 -2.207 1.00 1.52 H new ATOM 0 HD13 LEU A 34 -20.659 0.237 -1.340 1.00 1.52 H new ATOM 0 HD21 LEU A 34 -18.999 -2.340 -1.075 1.00 1.41 H new ATOM 0 HD22 LEU A 34 -20.708 -2.320 -1.572 1.00 1.41 H new ATOM 0 HD23 LEU A 34 -19.489 -3.099 -2.609 1.00 1.41 H new ATOM 544 N SER A 35 -23.111 1.049 -4.521 1.00 0.75 N ATOM 545 CA SER A 35 -23.833 1.761 -5.556 1.00 0.89 C ATOM 546 C SER A 35 -22.861 2.526 -6.443 1.00 0.75 C ATOM 547 O SER A 35 -23.159 2.831 -7.598 1.00 0.92 O ATOM 548 CB SER A 35 -24.837 2.713 -4.912 1.00 1.14 C ATOM 549 OG SER A 35 -25.642 2.026 -3.966 1.00 1.55 O ATOM 0 H SER A 35 -23.010 1.563 -3.646 1.00 0.75 H new ATOM 0 HA SER A 35 -24.372 1.047 -6.179 1.00 0.89 H new ATOM 0 HB2 SER A 35 -24.308 3.530 -4.422 1.00 1.14 H new ATOM 0 HB3 SER A 35 -25.469 3.158 -5.681 1.00 1.14 H new ATOM 0 HG SER A 35 -26.278 2.652 -3.562 1.00 1.55 H new ATOM 555 N GLU A 36 -21.694 2.815 -5.894 1.00 0.61 N ATOM 556 CA GLU A 36 -20.671 3.562 -6.605 1.00 0.51 C ATOM 557 C GLU A 36 -19.439 2.690 -6.828 1.00 0.44 C ATOM 558 O GLU A 36 -19.410 1.523 -6.425 1.00 0.53 O ATOM 559 CB GLU A 36 -20.286 4.802 -5.797 1.00 0.63 C ATOM 560 CG GLU A 36 -21.462 5.697 -5.447 1.00 1.48 C ATOM 561 CD GLU A 36 -21.989 6.475 -6.634 1.00 2.16 C ATOM 562 OE1 GLU A 36 -21.261 7.339 -7.158 1.00 2.95 O ATOM 563 OE2 GLU A 36 -23.137 6.214 -7.055 1.00 2.46 O ATOM 0 H GLU A 36 -21.430 2.540 -4.948 1.00 0.61 H new ATOM 0 HA GLU A 36 -21.066 3.868 -7.574 1.00 0.51 H new ATOM 0 HB2 GLU A 36 -19.796 4.486 -4.876 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -19.557 5.381 -6.364 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -22.265 5.087 -5.034 1.00 1.48 H new ATOM 0 HG3 GLU A 36 -21.160 6.396 -4.667 1.00 1.48 H new ATOM 570 N ASP A 37 -18.431 3.259 -7.469 1.00 0.37 N ATOM 571 CA ASP A 37 -17.169 2.565 -7.693 1.00 0.36 C ATOM 572 C ASP A 37 -16.256 2.703 -6.483 1.00 0.35 C ATOM 573 O ASP A 37 -16.245 3.736 -5.814 1.00 0.50 O ATOM 574 CB ASP A 37 -16.472 3.111 -8.943 1.00 0.49 C ATOM 575 CG ASP A 37 -16.350 4.623 -8.932 1.00 0.92 C ATOM 576 OD1 ASP A 37 -17.315 5.302 -9.348 1.00 1.88 O ATOM 577 OD2 ASP A 37 -15.295 5.145 -8.520 1.00 1.30 O ATOM 0 H ASP A 37 -18.461 4.206 -7.846 1.00 0.37 H new ATOM 0 HA ASP A 37 -17.385 1.508 -7.845 1.00 0.36 H new ATOM 0 HB2 ASP A 37 -15.478 2.671 -9.021 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -17.028 2.802 -9.828 1.00 0.49 H new ATOM 582 N LEU A 38 -15.514 1.647 -6.192 1.00 0.30 N ATOM 583 CA LEU A 38 -14.565 1.658 -5.087 1.00 0.31 C ATOM 584 C LEU A 38 -13.171 1.964 -5.623 1.00 0.28 C ATOM 585 O LEU A 38 -12.657 1.232 -6.473 1.00 0.29 O ATOM 586 CB LEU A 38 -14.564 0.300 -4.374 1.00 0.39 C ATOM 587 CG LEU A 38 -14.340 0.332 -2.856 1.00 0.42 C ATOM 588 CD1 LEU A 38 -13.014 0.987 -2.504 1.00 1.06 C ATOM 589 CD2 LEU A 38 -15.487 1.048 -2.169 1.00 1.32 C ATOM 0 H LEU A 38 -15.550 0.767 -6.707 1.00 0.30 H new ATOM 0 HA LEU A 38 -14.857 2.426 -4.371 1.00 0.31 H new ATOM 0 HB2 LEU A 38 -15.518 -0.190 -4.569 1.00 0.39 H new ATOM 0 HB3 LEU A 38 -13.789 -0.322 -4.822 1.00 0.39 H new ATOM 0 HG LEU A 38 -14.305 -0.698 -2.500 1.00 0.42 H new ATOM 0 HD11 LEU A 38 -12.887 0.993 -1.421 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -12.199 0.427 -2.962 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -13.004 2.011 -2.876 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -15.314 1.063 -1.093 1.00 1.32 H new ATOM 0 HD22 LEU A 38 -15.552 2.071 -2.540 1.00 1.32 H new ATOM 0 HD23 LEU A 38 -16.420 0.526 -2.379 1.00 1.32 H new ATOM 601 N GLU A 39 -12.575 3.044 -5.136 1.00 0.30 N ATOM 602 CA GLU A 39 -11.244 3.437 -5.564 1.00 0.32 C ATOM 603 C GLU A 39 -10.181 2.802 -4.679 1.00 0.31 C ATOM 604 O GLU A 39 -9.980 3.213 -3.536 1.00 0.43 O ATOM 605 CB GLU A 39 -11.092 4.960 -5.539 1.00 0.42 C ATOM 606 CG GLU A 39 -9.732 5.437 -6.016 1.00 0.50 C ATOM 607 CD GLU A 39 -9.537 6.924 -5.831 1.00 0.68 C ATOM 608 OE1 GLU A 39 -9.927 7.696 -6.731 1.00 0.92 O ATOM 609 OE2 GLU A 39 -9.004 7.332 -4.781 1.00 0.73 O ATOM 0 H GLU A 39 -12.995 3.663 -4.443 1.00 0.30 H new ATOM 0 HA GLU A 39 -11.108 3.085 -6.587 1.00 0.32 H new ATOM 0 HB2 GLU A 39 -11.865 5.405 -6.165 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -11.259 5.318 -4.523 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -8.953 4.902 -5.473 1.00 0.50 H new ATOM 0 HG3 GLU A 39 -9.614 5.188 -7.070 1.00 0.50 H new ATOM 616 N TRP A 40 -9.523 1.786 -5.206 1.00 0.24 N ATOM 617 CA TRP A 40 -8.401 1.167 -4.525 1.00 0.23 C ATOM 618 C TRP A 40 -7.097 1.770 -5.029 1.00 0.24 C ATOM 619 O TRP A 40 -6.706 1.547 -6.172 1.00 0.28 O ATOM 620 CB TRP A 40 -8.397 -0.344 -4.775 1.00 0.24 C ATOM 621 CG TRP A 40 -9.590 -1.050 -4.216 1.00 0.23 C ATOM 622 CD1 TRP A 40 -10.811 -1.201 -4.808 1.00 0.26 C ATOM 623 CD2 TRP A 40 -9.673 -1.716 -2.952 1.00 0.26 C ATOM 624 NE1 TRP A 40 -11.651 -1.909 -3.983 1.00 0.27 N ATOM 625 CE2 TRP A 40 -10.974 -2.236 -2.839 1.00 0.25 C ATOM 626 CE3 TRP A 40 -8.771 -1.918 -1.904 1.00 0.36 C ATOM 627 CZ2 TRP A 40 -11.395 -2.945 -1.720 1.00 0.31 C ATOM 628 CZ3 TRP A 40 -9.190 -2.624 -0.795 1.00 0.43 C ATOM 629 CH2 TRP A 40 -10.491 -3.129 -0.710 1.00 0.40 C ATOM 0 H TRP A 40 -9.748 1.370 -6.110 1.00 0.24 H new ATOM 0 HA TRP A 40 -8.496 1.349 -3.455 1.00 0.23 H new ATOM 0 HB2 TRP A 40 -8.349 -0.525 -5.849 1.00 0.24 H new ATOM 0 HB3 TRP A 40 -7.495 -0.773 -4.339 1.00 0.24 H new ATOM 0 HD1 TRP A 40 -11.078 -0.820 -5.783 1.00 0.26 H new ATOM 0 HE1 TRP A 40 -12.620 -2.151 -4.189 1.00 0.27 H new ATOM 0 HE3 TRP A 40 -7.765 -1.529 -1.961 1.00 0.36 H new ATOM 0 HZ2 TRP A 40 -12.399 -3.336 -1.651 1.00 0.31 H new ATOM 0 HZ3 TRP A 40 -8.502 -2.789 0.021 1.00 0.43 H new ATOM 0 HH2 TRP A 40 -10.789 -3.676 0.172 1.00 0.40 H new ATOM 640 N LYS A 41 -6.429 2.539 -4.189 1.00 0.25 N ATOM 641 CA LYS A 41 -5.160 3.145 -4.569 1.00 0.25 C ATOM 642 C LYS A 41 -4.053 2.727 -3.625 1.00 0.23 C ATOM 643 O LYS A 41 -4.255 2.654 -2.415 1.00 0.27 O ATOM 644 CB LYS A 41 -5.253 4.671 -4.569 1.00 0.37 C ATOM 645 CG LYS A 41 -5.798 5.269 -5.853 1.00 0.63 C ATOM 646 CD LYS A 41 -5.775 6.785 -5.791 1.00 0.65 C ATOM 647 CE LYS A 41 -6.381 7.408 -7.037 1.00 1.03 C ATOM 648 NZ LYS A 41 -6.593 8.868 -6.874 1.00 1.23 N ATOM 0 H LYS A 41 -6.740 2.760 -3.243 1.00 0.25 H new ATOM 0 HA LYS A 41 -4.932 2.797 -5.576 1.00 0.25 H new ATOM 0 HB2 LYS A 41 -5.888 4.984 -3.740 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -4.261 5.083 -4.384 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -5.205 4.926 -6.700 1.00 0.63 H new ATOM 0 HG3 LYS A 41 -6.818 4.922 -6.017 1.00 0.63 H new ATOM 0 HD2 LYS A 41 -6.325 7.122 -4.912 1.00 0.65 H new ATOM 0 HD3 LYS A 41 -4.747 7.129 -5.675 1.00 0.65 H new ATOM 0 HE2 LYS A 41 -5.725 7.228 -7.889 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -7.332 6.925 -7.259 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -7.008 9.258 -7.744 1.00 1.23 H new ATOM 0 HZ2 LYS A 41 -7.238 9.038 -6.076 1.00 1.23 H new ATOM 0 HZ3 LYS A 41 -5.681 9.332 -6.687 1.00 1.23 H new ATOM 662 N ILE A 42 -2.886 2.454 -4.181 1.00 0.22 N ATOM 663 CA ILE A 42 -1.705 2.231 -3.370 1.00 0.24 C ATOM 664 C ILE A 42 -0.800 3.451 -3.452 1.00 0.25 C ATOM 665 O ILE A 42 -0.039 3.608 -4.405 1.00 0.31 O ATOM 666 CB ILE A 42 -0.901 0.978 -3.795 1.00 0.29 C ATOM 667 CG1 ILE A 42 -1.757 -0.289 -3.683 1.00 0.33 C ATOM 668 CG2 ILE A 42 0.355 0.847 -2.945 1.00 0.37 C ATOM 669 CD1 ILE A 42 -0.955 -1.571 -3.762 1.00 0.46 C ATOM 0 H ILE A 42 -2.732 2.382 -5.187 1.00 0.22 H new ATOM 0 HA ILE A 42 -2.049 2.063 -2.350 1.00 0.24 H new ATOM 0 HB ILE A 42 -0.610 1.097 -4.839 1.00 0.29 H new ATOM 0 HG12 ILE A 42 -2.301 -0.268 -2.738 1.00 0.33 H new ATOM 0 HG13 ILE A 42 -2.501 -0.286 -4.479 1.00 0.33 H new ATOM 0 HG21 ILE A 42 0.912 -0.038 -3.253 1.00 0.37 H new ATOM 0 HG22 ILE A 42 0.977 1.732 -3.077 1.00 0.37 H new ATOM 0 HG23 ILE A 42 0.076 0.753 -1.896 1.00 0.37 H new ATOM 0 HD11 ILE A 42 -1.626 -2.426 -3.676 1.00 0.46 H new ATOM 0 HD12 ILE A 42 -0.432 -1.615 -4.718 1.00 0.46 H new ATOM 0 HD13 ILE A 42 -0.229 -1.596 -2.950 1.00 0.46 H new ATOM 681 N ILE A 43 -0.919 4.336 -2.478 1.00 0.24 N ATOM 682 CA ILE A 43 -0.084 5.517 -2.428 1.00 0.27 C ATOM 683 C ILE A 43 1.157 5.209 -1.609 1.00 0.26 C ATOM 684 O ILE A 43 1.082 5.021 -0.396 1.00 0.30 O ATOM 685 CB ILE A 43 -0.823 6.720 -1.806 1.00 0.31 C ATOM 686 CG1 ILE A 43 -2.174 6.933 -2.492 1.00 0.37 C ATOM 687 CG2 ILE A 43 0.031 7.978 -1.904 1.00 0.39 C ATOM 688 CD1 ILE A 43 -3.049 7.959 -1.801 1.00 0.69 C ATOM 0 H ILE A 43 -1.587 4.257 -1.712 1.00 0.24 H new ATOM 0 HA ILE A 43 0.185 5.786 -3.450 1.00 0.27 H new ATOM 0 HB ILE A 43 -1.003 6.507 -0.752 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -2.004 7.247 -3.522 1.00 0.37 H new ATOM 0 HG13 ILE A 43 -2.706 5.982 -2.532 1.00 0.37 H new ATOM 0 HG21 ILE A 43 -0.505 8.817 -1.461 1.00 0.39 H new ATOM 0 HG22 ILE A 43 0.969 7.824 -1.370 1.00 0.39 H new ATOM 0 HG23 ILE A 43 0.241 8.194 -2.951 1.00 0.39 H new ATOM 0 HD11 ILE A 43 -3.990 8.058 -2.342 1.00 0.69 H new ATOM 0 HD12 ILE A 43 -3.250 7.637 -0.779 1.00 0.69 H new ATOM 0 HD13 ILE A 43 -2.537 8.921 -1.784 1.00 0.69 H new ATOM 700 N TYR A 44 2.289 5.115 -2.270 1.00 0.29 N ATOM 701 CA TYR A 44 3.528 4.828 -1.579 1.00 0.29 C ATOM 702 C TYR A 44 4.159 6.126 -1.118 1.00 0.28 C ATOM 703 O TYR A 44 4.258 7.081 -1.888 1.00 0.33 O ATOM 704 CB TYR A 44 4.488 4.051 -2.488 1.00 0.32 C ATOM 705 CG TYR A 44 5.799 3.677 -1.822 1.00 0.34 C ATOM 706 CD1 TYR A 44 5.850 2.699 -0.836 1.00 0.42 C ATOM 707 CD2 TYR A 44 6.984 4.307 -2.178 1.00 0.38 C ATOM 708 CE1 TYR A 44 7.046 2.360 -0.228 1.00 0.50 C ATOM 709 CE2 TYR A 44 8.180 3.974 -1.575 1.00 0.45 C ATOM 710 CZ TYR A 44 8.199 2.982 -0.600 1.00 0.49 C ATOM 711 OH TYR A 44 9.397 2.670 0.003 1.00 0.59 O ATOM 0 H TYR A 44 2.379 5.232 -3.279 1.00 0.29 H new ATOM 0 HA TYR A 44 3.316 4.206 -0.710 1.00 0.29 H new ATOM 0 HB2 TYR A 44 3.993 3.142 -2.830 1.00 0.32 H new ATOM 0 HB3 TYR A 44 4.700 4.651 -3.373 1.00 0.32 H new ATOM 0 HD1 TYR A 44 4.942 2.195 -0.540 1.00 0.42 H new ATOM 0 HD2 TYR A 44 6.970 5.072 -2.941 1.00 0.38 H new ATOM 0 HE1 TYR A 44 7.065 1.602 0.541 1.00 0.50 H new ATOM 0 HE2 TYR A 44 9.092 4.479 -1.857 1.00 0.45 H new ATOM 0 HH TYR A 44 10.112 3.212 -0.391 1.00 0.59 H new ATOM 721 N VAL A 45 4.545 6.173 0.148 1.00 0.27 N ATOM 722 CA VAL A 45 5.254 7.322 0.676 1.00 0.28 C ATOM 723 C VAL A 45 6.574 7.459 -0.057 1.00 0.30 C ATOM 724 O VAL A 45 7.381 6.538 -0.053 1.00 0.36 O ATOM 725 CB VAL A 45 5.533 7.190 2.190 1.00 0.32 C ATOM 726 CG1 VAL A 45 6.249 8.418 2.720 1.00 0.37 C ATOM 727 CG2 VAL A 45 4.254 6.953 2.967 1.00 0.34 C ATOM 0 H VAL A 45 4.378 5.429 0.825 1.00 0.27 H new ATOM 0 HA VAL A 45 4.627 8.201 0.529 1.00 0.28 H new ATOM 0 HB VAL A 45 6.181 6.324 2.328 1.00 0.32 H new ATOM 0 HG11 VAL A 45 6.433 8.299 3.788 1.00 0.37 H new ATOM 0 HG12 VAL A 45 7.199 8.539 2.199 1.00 0.37 H new ATOM 0 HG13 VAL A 45 5.630 9.300 2.555 1.00 0.37 H new ATOM 0 HG21 VAL A 45 4.484 6.865 4.029 1.00 0.34 H new ATOM 0 HG22 VAL A 45 3.574 7.790 2.812 1.00 0.34 H new ATOM 0 HG23 VAL A 45 3.783 6.033 2.620 1.00 0.34 H new ATOM 737 N GLY A 46 6.773 8.583 -0.709 1.00 0.32 N ATOM 738 CA GLY A 46 8.009 8.794 -1.418 1.00 0.39 C ATOM 739 C GLY A 46 9.164 8.935 -0.467 1.00 0.41 C ATOM 740 O GLY A 46 10.218 8.341 -0.664 1.00 0.47 O ATOM 0 H GLY A 46 6.105 9.352 -0.762 1.00 0.32 H new ATOM 0 HA2 GLY A 46 8.191 7.958 -2.094 1.00 0.39 H new ATOM 0 HA3 GLY A 46 7.930 9.690 -2.033 1.00 0.39 H new ATOM 744 N SER A 47 8.948 9.705 0.583 1.00 0.43 N ATOM 745 CA SER A 47 9.977 9.944 1.562 1.00 0.48 C ATOM 746 C SER A 47 9.387 10.042 2.956 1.00 0.51 C ATOM 747 O SER A 47 8.363 10.691 3.165 1.00 0.49 O ATOM 748 CB SER A 47 10.713 11.235 1.229 1.00 0.53 C ATOM 749 OG SER A 47 11.696 11.538 2.201 1.00 1.23 O ATOM 0 H SER A 47 8.063 10.175 0.775 1.00 0.43 H new ATOM 0 HA SER A 47 10.673 9.106 1.539 1.00 0.48 H new ATOM 0 HB2 SER A 47 11.184 11.144 0.250 1.00 0.53 H new ATOM 0 HB3 SER A 47 9.999 12.056 1.164 1.00 0.53 H new ATOM 0 HG SER A 47 12.145 10.713 2.481 1.00 1.23 H new ATOM 755 N ALA A 48 10.028 9.377 3.894 1.00 0.62 N ATOM 756 CA ALA A 48 9.732 9.547 5.298 1.00 0.70 C ATOM 757 C ALA A 48 10.262 10.895 5.757 1.00 0.75 C ATOM 758 O ALA A 48 9.724 11.511 6.679 1.00 0.82 O ATOM 759 CB ALA A 48 10.376 8.430 6.093 1.00 0.81 C ATOM 0 H ALA A 48 10.769 8.703 3.703 1.00 0.62 H new ATOM 0 HA ALA A 48 8.654 9.512 5.457 1.00 0.70 H new ATOM 0 HB1 ALA A 48 10.151 8.560 7.152 1.00 0.81 H new ATOM 0 HB2 ALA A 48 9.985 7.470 5.755 1.00 0.81 H new ATOM 0 HB3 ALA A 48 11.456 8.454 5.946 1.00 0.81 H new ATOM 765 N GLU A 49 11.322 11.345 5.092 1.00 0.75 N ATOM 766 CA GLU A 49 11.915 12.641 5.366 1.00 0.83 C ATOM 767 C GLU A 49 10.964 13.750 4.920 1.00 0.82 C ATOM 768 O GLU A 49 10.682 14.684 5.672 1.00 0.93 O ATOM 769 CB GLU A 49 13.259 12.768 4.643 1.00 0.90 C ATOM 770 CG GLU A 49 14.051 14.002 5.034 1.00 1.06 C ATOM 771 CD GLU A 49 14.599 13.923 6.444 1.00 1.48 C ATOM 772 OE1 GLU A 49 13.816 14.101 7.400 1.00 1.96 O ATOM 773 OE2 GLU A 49 15.811 13.677 6.607 1.00 1.99 O ATOM 0 H GLU A 49 11.789 10.821 4.352 1.00 0.75 H new ATOM 0 HA GLU A 49 12.088 12.736 6.438 1.00 0.83 H new ATOM 0 HB2 GLU A 49 13.858 11.882 4.852 1.00 0.90 H new ATOM 0 HB3 GLU A 49 13.082 12.787 3.568 1.00 0.90 H new ATOM 0 HG2 GLU A 49 14.876 14.135 4.335 1.00 1.06 H new ATOM 0 HG3 GLU A 49 13.413 14.881 4.945 1.00 1.06 H new ATOM 780 N SER A 50 10.469 13.647 3.694 1.00 0.74 N ATOM 781 CA SER A 50 9.468 14.575 3.204 1.00 0.79 C ATOM 782 C SER A 50 8.385 13.799 2.471 1.00 0.75 C ATOM 783 O SER A 50 8.578 13.351 1.345 1.00 1.26 O ATOM 784 CB SER A 50 10.108 15.613 2.280 1.00 0.96 C ATOM 785 OG SER A 50 11.253 16.200 2.882 1.00 1.72 O ATOM 0 H SER A 50 10.746 12.930 3.024 1.00 0.74 H new ATOM 0 HA SER A 50 9.022 15.106 4.045 1.00 0.79 H new ATOM 0 HB2 SER A 50 10.390 15.141 1.339 1.00 0.96 H new ATOM 0 HB3 SER A 50 9.381 16.389 2.042 1.00 0.96 H new ATOM 0 HG SER A 50 11.643 16.858 2.270 1.00 1.72 H new ATOM 791 N GLU A 51 7.239 13.636 3.106 1.00 0.78 N ATOM 792 CA GLU A 51 6.212 12.761 2.568 1.00 0.71 C ATOM 793 C GLU A 51 5.525 13.387 1.354 1.00 0.74 C ATOM 794 O GLU A 51 4.610 12.802 0.786 1.00 0.80 O ATOM 795 CB GLU A 51 5.186 12.406 3.648 1.00 0.85 C ATOM 796 CG GLU A 51 5.784 11.645 4.823 1.00 1.46 C ATOM 797 CD GLU A 51 4.749 11.222 5.844 1.00 1.68 C ATOM 798 OE1 GLU A 51 4.443 12.023 6.754 1.00 2.02 O ATOM 799 OE2 GLU A 51 4.224 10.095 5.729 1.00 2.09 O ATOM 0 H GLU A 51 6.997 14.092 3.986 1.00 0.78 H new ATOM 0 HA GLU A 51 6.697 11.843 2.237 1.00 0.71 H new ATOM 0 HB2 GLU A 51 4.724 13.323 4.015 1.00 0.85 H new ATOM 0 HB3 GLU A 51 4.393 11.806 3.202 1.00 0.85 H new ATOM 0 HG2 GLU A 51 6.301 10.761 4.450 1.00 1.46 H new ATOM 0 HG3 GLU A 51 6.532 12.270 5.310 1.00 1.46 H new ATOM 806 N GLU A 52 5.988 14.571 0.957 1.00 0.78 N ATOM 807 CA GLU A 52 5.503 15.230 -0.253 1.00 0.89 C ATOM 808 C GLU A 52 5.993 14.487 -1.495 1.00 0.78 C ATOM 809 O GLU A 52 5.507 14.705 -2.606 1.00 0.85 O ATOM 810 CB GLU A 52 5.994 16.673 -0.303 1.00 1.09 C ATOM 811 CG GLU A 52 5.665 17.483 0.924 1.00 1.70 C ATOM 812 CD GLU A 52 6.313 18.848 0.892 1.00 2.16 C ATOM 813 OE1 GLU A 52 7.488 18.967 1.298 1.00 2.83 O ATOM 814 OE2 GLU A 52 5.641 19.815 0.486 1.00 2.43 O ATOM 0 H GLU A 52 6.703 15.096 1.460 1.00 0.78 H new ATOM 0 HA GLU A 52 4.413 15.220 -0.234 1.00 0.89 H new ATOM 0 HB2 GLU A 52 7.075 16.672 -0.444 1.00 1.09 H new ATOM 0 HB3 GLU A 52 5.559 17.162 -1.174 1.00 1.09 H new ATOM 0 HG2 GLU A 52 4.584 17.597 1.004 1.00 1.70 H new ATOM 0 HG3 GLU A 52 5.996 16.945 1.813 1.00 1.70 H new ATOM 821 N TYR A 53 6.977 13.616 -1.295 1.00 0.65 N ATOM 822 CA TYR A 53 7.511 12.791 -2.371 1.00 0.61 C ATOM 823 C TYR A 53 6.571 11.624 -2.674 1.00 0.52 C ATOM 824 O TYR A 53 6.874 10.796 -3.524 1.00 0.52 O ATOM 825 CB TYR A 53 8.894 12.235 -2.000 1.00 0.62 C ATOM 826 CG TYR A 53 10.016 13.252 -1.970 1.00 0.82 C ATOM 827 CD1 TYR A 53 10.705 13.578 -3.123 1.00 1.23 C ATOM 828 CD2 TYR A 53 10.362 13.905 -0.795 1.00 0.83 C ATOM 829 CE1 TYR A 53 11.709 14.519 -3.117 1.00 1.44 C ATOM 830 CE2 TYR A 53 11.368 14.856 -0.780 1.00 1.01 C ATOM 831 CZ TYR A 53 12.111 15.075 -1.885 1.00 1.25 C ATOM 832 OH TYR A 53 13.041 16.101 -1.943 1.00 1.48 O ATOM 0 H TYR A 53 7.423 13.463 -0.390 1.00 0.65 H new ATOM 0 HA TYR A 53 7.602 13.423 -3.254 1.00 0.61 H new ATOM 0 HB2 TYR A 53 8.827 11.764 -1.019 1.00 0.62 H new ATOM 0 HB3 TYR A 53 9.155 11.452 -2.712 1.00 0.62 H new ATOM 0 HD1 TYR A 53 10.450 13.084 -4.049 1.00 1.23 H new ATOM 0 HD2 TYR A 53 9.839 13.668 0.120 1.00 0.83 H new ATOM 0 HE1 TYR A 53 12.180 14.826 -4.039 1.00 1.44 H new ATOM 0 HE2 TYR A 53 11.559 15.424 0.118 1.00 1.01 H new ATOM 0 HH TYR A 53 13.245 16.410 -1.035 1.00 1.48 H new ATOM 842 N ASP A 54 5.437 11.573 -1.972 1.00 0.52 N ATOM 843 CA ASP A 54 4.504 10.448 -2.079 1.00 0.52 C ATOM 844 C ASP A 54 3.991 10.283 -3.502 1.00 0.57 C ATOM 845 O ASP A 54 3.698 11.261 -4.195 1.00 0.68 O ATOM 846 CB ASP A 54 3.325 10.618 -1.110 1.00 0.65 C ATOM 847 CG ASP A 54 2.340 11.692 -1.541 1.00 0.88 C ATOM 848 OD1 ASP A 54 2.610 12.889 -1.309 1.00 1.22 O ATOM 849 OD2 ASP A 54 1.279 11.342 -2.103 1.00 1.22 O ATOM 0 H ASP A 54 5.141 12.300 -1.321 1.00 0.52 H new ATOM 0 HA ASP A 54 5.053 9.546 -1.808 1.00 0.52 H new ATOM 0 HB2 ASP A 54 2.799 9.668 -1.020 1.00 0.65 H new ATOM 0 HB3 ASP A 54 3.710 10.864 -0.121 1.00 0.65 H new ATOM 854 N GLN A 55 3.901 9.037 -3.938 1.00 0.54 N ATOM 855 CA GLN A 55 3.450 8.735 -5.275 1.00 0.60 C ATOM 856 C GLN A 55 2.505 7.541 -5.270 1.00 0.46 C ATOM 857 O GLN A 55 2.825 6.472 -4.744 1.00 0.57 O ATOM 858 CB GLN A 55 4.637 8.489 -6.231 1.00 0.78 C ATOM 859 CG GLN A 55 5.464 7.222 -5.978 1.00 0.87 C ATOM 860 CD GLN A 55 6.513 7.357 -4.880 1.00 0.88 C ATOM 861 OE1 GLN A 55 6.332 8.057 -3.899 1.00 1.85 O ATOM 862 NE2 GLN A 55 7.649 6.702 -5.066 1.00 0.81 N ATOM 0 H GLN A 55 4.137 8.218 -3.377 1.00 0.54 H new ATOM 0 HA GLN A 55 2.904 9.604 -5.643 1.00 0.60 H new ATOM 0 HB2 GLN A 55 4.252 8.448 -7.250 1.00 0.78 H new ATOM 0 HB3 GLN A 55 5.304 9.349 -6.176 1.00 0.78 H new ATOM 0 HG2 GLN A 55 4.787 6.408 -5.717 1.00 0.87 H new ATOM 0 HG3 GLN A 55 5.962 6.938 -6.905 1.00 0.87 H new ATOM 0 HE21 GLN A 55 7.774 6.123 -5.896 1.00 0.81 H new ATOM 0 HE22 GLN A 55 8.399 6.777 -4.379 1.00 0.81 H new ATOM 871 N VAL A 56 1.325 7.737 -5.834 1.00 0.41 N ATOM 872 CA VAL A 56 0.373 6.657 -5.983 1.00 0.37 C ATOM 873 C VAL A 56 0.794 5.755 -7.136 1.00 0.36 C ATOM 874 O VAL A 56 1.077 6.221 -8.240 1.00 0.44 O ATOM 875 CB VAL A 56 -1.069 7.177 -6.191 1.00 0.50 C ATOM 876 CG1 VAL A 56 -1.137 8.146 -7.358 1.00 0.80 C ATOM 877 CG2 VAL A 56 -2.044 6.021 -6.390 1.00 1.08 C ATOM 0 H VAL A 56 1.006 8.636 -6.195 1.00 0.41 H new ATOM 0 HA VAL A 56 0.371 6.082 -5.057 1.00 0.37 H new ATOM 0 HB VAL A 56 -1.362 7.715 -5.289 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -2.162 8.496 -7.481 1.00 0.80 H new ATOM 0 HG12 VAL A 56 -0.484 8.997 -7.163 1.00 0.80 H new ATOM 0 HG13 VAL A 56 -0.813 7.642 -8.269 1.00 0.80 H new ATOM 0 HG21 VAL A 56 -3.050 6.414 -6.534 1.00 1.08 H new ATOM 0 HG22 VAL A 56 -1.751 5.445 -7.267 1.00 1.08 H new ATOM 0 HG23 VAL A 56 -2.029 5.377 -5.511 1.00 1.08 H new ATOM 887 N LEU A 57 0.860 4.470 -6.857 1.00 0.34 N ATOM 888 CA LEU A 57 1.348 3.495 -7.816 1.00 0.39 C ATOM 889 C LEU A 57 0.302 3.203 -8.877 1.00 0.36 C ATOM 890 O LEU A 57 0.506 3.476 -10.062 1.00 0.48 O ATOM 891 CB LEU A 57 1.731 2.205 -7.093 1.00 0.44 C ATOM 892 CG LEU A 57 2.944 2.317 -6.174 1.00 0.55 C ATOM 893 CD1 LEU A 57 3.164 1.014 -5.421 1.00 1.05 C ATOM 894 CD2 LEU A 57 4.173 2.676 -6.986 1.00 0.77 C ATOM 0 H LEU A 57 0.578 4.070 -5.962 1.00 0.34 H new ATOM 0 HA LEU A 57 2.227 3.910 -8.310 1.00 0.39 H new ATOM 0 HB2 LEU A 57 0.878 1.869 -6.504 1.00 0.44 H new ATOM 0 HB3 LEU A 57 1.928 1.434 -7.837 1.00 0.44 H new ATOM 0 HG LEU A 57 2.762 3.105 -5.443 1.00 0.55 H new ATOM 0 HD11 LEU A 57 4.033 1.112 -4.770 1.00 1.05 H new ATOM 0 HD12 LEU A 57 2.284 0.789 -4.819 1.00 1.05 H new ATOM 0 HD13 LEU A 57 3.333 0.206 -6.133 1.00 1.05 H new ATOM 0 HD21 LEU A 57 5.036 2.755 -6.325 1.00 0.77 H new ATOM 0 HD22 LEU A 57 4.356 1.901 -7.731 1.00 0.77 H new ATOM 0 HD23 LEU A 57 4.012 3.630 -7.487 1.00 0.77 H new ATOM 906 N ASP A 58 -0.817 2.654 -8.446 1.00 0.31 N ATOM 907 CA ASP A 58 -1.890 2.300 -9.358 1.00 0.35 C ATOM 908 C ASP A 58 -3.232 2.491 -8.666 1.00 0.33 C ATOM 909 O ASP A 58 -3.295 2.569 -7.433 1.00 0.33 O ATOM 910 CB ASP A 58 -1.732 0.847 -9.822 1.00 0.43 C ATOM 911 CG ASP A 58 -2.452 0.570 -11.122 1.00 0.71 C ATOM 912 OD1 ASP A 58 -1.885 0.887 -12.192 1.00 0.92 O ATOM 913 OD2 ASP A 58 -3.579 0.039 -11.088 1.00 1.31 O ATOM 0 H ASP A 58 -1.008 2.442 -7.467 1.00 0.31 H new ATOM 0 HA ASP A 58 -1.845 2.948 -10.233 1.00 0.35 H new ATOM 0 HB2 ASP A 58 -0.672 0.621 -9.943 1.00 0.43 H new ATOM 0 HB3 ASP A 58 -2.114 0.179 -9.050 1.00 0.43 H new ATOM 918 N SER A 59 -4.289 2.582 -9.450 1.00 0.42 N ATOM 919 CA SER A 59 -5.623 2.755 -8.915 1.00 0.43 C ATOM 920 C SER A 59 -6.590 1.791 -9.591 1.00 0.46 C ATOM 921 O SER A 59 -6.813 1.851 -10.801 1.00 0.58 O ATOM 922 CB SER A 59 -6.073 4.210 -9.078 1.00 0.52 C ATOM 923 OG SER A 59 -5.796 4.697 -10.381 1.00 1.09 O ATOM 0 H SER A 59 -4.247 2.538 -10.468 1.00 0.42 H new ATOM 0 HA SER A 59 -5.615 2.526 -7.849 1.00 0.43 H new ATOM 0 HB2 SER A 59 -7.142 4.286 -8.880 1.00 0.52 H new ATOM 0 HB3 SER A 59 -5.567 4.833 -8.340 1.00 0.52 H new ATOM 0 HG SER A 59 -6.001 4.002 -11.041 1.00 1.09 H new ATOM 929 N VAL A 60 -7.137 0.887 -8.797 1.00 0.39 N ATOM 930 CA VAL A 60 -8.034 -0.137 -9.297 1.00 0.45 C ATOM 931 C VAL A 60 -9.473 0.196 -8.913 1.00 0.38 C ATOM 932 O VAL A 60 -9.859 0.101 -7.748 1.00 0.39 O ATOM 933 CB VAL A 60 -7.640 -1.526 -8.742 1.00 0.54 C ATOM 934 CG1 VAL A 60 -8.550 -2.618 -9.281 1.00 1.22 C ATOM 935 CG2 VAL A 60 -6.187 -1.840 -9.068 1.00 1.11 C ATOM 0 H VAL A 60 -6.972 0.843 -7.791 1.00 0.39 H new ATOM 0 HA VAL A 60 -7.955 -0.167 -10.384 1.00 0.45 H new ATOM 0 HB VAL A 60 -7.758 -1.495 -7.659 1.00 0.54 H new ATOM 0 HG11 VAL A 60 -8.245 -3.581 -8.871 1.00 1.22 H new ATOM 0 HG12 VAL A 60 -9.580 -2.410 -8.991 1.00 1.22 H new ATOM 0 HG13 VAL A 60 -8.478 -2.648 -10.368 1.00 1.22 H new ATOM 0 HG21 VAL A 60 -5.928 -2.821 -8.669 1.00 1.11 H new ATOM 0 HG22 VAL A 60 -6.048 -1.840 -10.149 1.00 1.11 H new ATOM 0 HG23 VAL A 60 -5.542 -1.085 -8.619 1.00 1.11 H new ATOM 945 N LEU A 61 -10.249 0.619 -9.899 1.00 0.40 N ATOM 946 CA LEU A 61 -11.632 1.029 -9.685 1.00 0.39 C ATOM 947 C LEU A 61 -12.585 -0.100 -10.047 1.00 0.38 C ATOM 948 O LEU A 61 -12.637 -0.522 -11.203 1.00 0.57 O ATOM 949 CB LEU A 61 -11.966 2.257 -10.553 1.00 0.51 C ATOM 950 CG LEU A 61 -11.541 3.627 -10.006 1.00 0.62 C ATOM 951 CD1 LEU A 61 -12.300 3.945 -8.734 1.00 1.31 C ATOM 952 CD2 LEU A 61 -10.040 3.690 -9.762 1.00 1.34 C ATOM 0 H LEU A 61 -9.941 0.688 -10.869 1.00 0.40 H new ATOM 0 HA LEU A 61 -11.749 1.280 -8.631 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -11.499 2.121 -11.528 1.00 0.51 H new ATOM 0 HB3 LEU A 61 -13.044 2.275 -10.715 1.00 0.51 H new ATOM 0 HG LEU A 61 -11.785 4.377 -10.759 1.00 0.62 H new ATOM 0 HD11 LEU A 61 -11.988 4.919 -8.358 1.00 1.31 H new ATOM 0 HD12 LEU A 61 -13.370 3.962 -8.943 1.00 1.31 H new ATOM 0 HD13 LEU A 61 -12.089 3.182 -7.984 1.00 1.31 H new ATOM 0 HD21 LEU A 61 -9.775 4.674 -9.375 1.00 1.34 H new ATOM 0 HD22 LEU A 61 -9.757 2.927 -9.037 1.00 1.34 H new ATOM 0 HD23 LEU A 61 -9.511 3.514 -10.699 1.00 1.34 H new ATOM 964 N VAL A 62 -13.339 -0.602 -9.078 1.00 0.27 N ATOM 965 CA VAL A 62 -14.352 -1.596 -9.400 1.00 0.27 C ATOM 966 C VAL A 62 -15.744 -0.977 -9.286 1.00 0.26 C ATOM 967 O VAL A 62 -16.267 -0.784 -8.188 1.00 0.30 O ATOM 968 CB VAL A 62 -14.253 -2.828 -8.467 1.00 0.34 C ATOM 969 CG1 VAL A 62 -15.269 -3.891 -8.863 1.00 0.72 C ATOM 970 CG2 VAL A 62 -12.841 -3.405 -8.475 1.00 0.59 C ATOM 0 H VAL A 62 -13.273 -0.347 -8.093 1.00 0.27 H new ATOM 0 HA VAL A 62 -14.180 -1.929 -10.423 1.00 0.27 H new ATOM 0 HB VAL A 62 -14.480 -2.500 -7.453 1.00 0.34 H new ATOM 0 HG11 VAL A 62 -15.180 -4.746 -8.193 1.00 0.72 H new ATOM 0 HG12 VAL A 62 -16.275 -3.477 -8.792 1.00 0.72 H new ATOM 0 HG13 VAL A 62 -15.080 -4.211 -9.888 1.00 0.72 H new ATOM 0 HG21 VAL A 62 -12.797 -4.269 -7.812 1.00 0.59 H new ATOM 0 HG22 VAL A 62 -12.579 -3.711 -9.488 1.00 0.59 H new ATOM 0 HG23 VAL A 62 -12.137 -2.648 -8.131 1.00 0.59 H new ATOM 980 N GLY A 63 -16.309 -0.628 -10.433 1.00 0.28 N ATOM 981 CA GLY A 63 -17.674 -0.144 -10.504 1.00 0.33 C ATOM 982 C GLY A 63 -18.624 -1.193 -11.082 1.00 0.36 C ATOM 983 O GLY A 63 -18.400 -1.638 -12.209 1.00 0.42 O ATOM 0 H GLY A 63 -15.834 -0.673 -11.335 1.00 0.28 H new ATOM 0 HA2 GLY A 63 -18.010 0.140 -9.507 1.00 0.33 H new ATOM 0 HA3 GLY A 63 -17.708 0.755 -11.120 1.00 0.33 H new ATOM 987 N PRO A 64 -19.663 -1.655 -10.366 1.00 0.39 N ATOM 988 CA PRO A 64 -19.853 -1.445 -8.940 1.00 0.39 C ATOM 989 C PRO A 64 -19.311 -2.631 -8.157 1.00 0.38 C ATOM 990 O PRO A 64 -18.992 -3.671 -8.738 1.00 0.41 O ATOM 991 CB PRO A 64 -21.372 -1.372 -8.824 1.00 0.48 C ATOM 992 CG PRO A 64 -21.872 -2.317 -9.867 1.00 0.55 C ATOM 993 CD PRO A 64 -20.800 -2.407 -10.932 1.00 0.48 C ATOM 0 HA PRO A 64 -19.342 -0.565 -8.549 1.00 0.39 H new ATOM 0 HB2 PRO A 64 -21.709 -1.664 -7.829 1.00 0.48 H new ATOM 0 HB3 PRO A 64 -21.735 -0.359 -8.999 1.00 0.48 H new ATOM 0 HG2 PRO A 64 -22.070 -3.298 -9.435 1.00 0.55 H new ATOM 0 HG3 PRO A 64 -22.810 -1.961 -10.293 1.00 0.55 H new ATOM 0 HD2 PRO A 64 -20.529 -3.443 -11.138 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -21.136 -1.972 -11.873 1.00 0.48 H new ATOM 1001 N VAL A 65 -19.179 -2.481 -6.859 1.00 0.39 N ATOM 1002 CA VAL A 65 -18.655 -3.562 -6.042 1.00 0.40 C ATOM 1003 C VAL A 65 -19.803 -4.343 -5.401 1.00 0.41 C ATOM 1004 O VAL A 65 -20.462 -3.856 -4.487 1.00 0.48 O ATOM 1005 CB VAL A 65 -17.702 -3.037 -4.956 1.00 0.47 C ATOM 1006 CG1 VAL A 65 -16.585 -4.037 -4.717 1.00 0.81 C ATOM 1007 CG2 VAL A 65 -17.139 -1.678 -5.341 1.00 0.95 C ATOM 0 H VAL A 65 -19.423 -1.633 -6.347 1.00 0.39 H new ATOM 0 HA VAL A 65 -18.087 -4.227 -6.693 1.00 0.40 H new ATOM 0 HB VAL A 65 -18.263 -2.914 -4.030 1.00 0.47 H new ATOM 0 HG11 VAL A 65 -15.915 -3.657 -3.946 1.00 0.81 H new ATOM 0 HG12 VAL A 65 -17.010 -4.987 -4.392 1.00 0.81 H new ATOM 0 HG13 VAL A 65 -16.027 -4.187 -5.641 1.00 0.81 H new ATOM 0 HG21 VAL A 65 -16.468 -1.327 -4.557 1.00 0.95 H new ATOM 0 HG22 VAL A 65 -16.589 -1.764 -6.278 1.00 0.95 H new ATOM 0 HG23 VAL A 65 -17.956 -0.967 -5.464 1.00 0.95 H new ATOM 1017 N PRO A 66 -20.068 -5.559 -5.893 1.00 0.43 N ATOM 1018 CA PRO A 66 -21.202 -6.368 -5.442 1.00 0.48 C ATOM 1019 C PRO A 66 -20.992 -6.966 -4.060 1.00 0.39 C ATOM 1020 O PRO A 66 -19.874 -7.328 -3.694 1.00 0.33 O ATOM 1021 CB PRO A 66 -21.304 -7.482 -6.494 1.00 0.59 C ATOM 1022 CG PRO A 66 -20.342 -7.112 -7.578 1.00 0.70 C ATOM 1023 CD PRO A 66 -19.300 -6.248 -6.933 1.00 0.46 C ATOM 0 HA PRO A 66 -22.105 -5.764 -5.352 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -21.052 -8.451 -6.063 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -22.319 -7.560 -6.883 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -19.892 -8.001 -8.020 1.00 0.70 H new ATOM 0 HG3 PRO A 66 -20.848 -6.578 -8.382 1.00 0.70 H new ATOM 0 HD2 PRO A 66 -18.485 -6.838 -6.514 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -18.856 -5.549 -7.641 1.00 0.46 H new ATOM 1031 N ALA A 67 -22.083 -7.062 -3.306 1.00 0.41 N ATOM 1032 CA ALA A 67 -22.054 -7.644 -1.971 1.00 0.36 C ATOM 1033 C ALA A 67 -21.450 -9.042 -1.992 1.00 0.34 C ATOM 1034 O ALA A 67 -21.812 -9.882 -2.822 1.00 0.39 O ATOM 1035 CB ALA A 67 -23.452 -7.683 -1.369 1.00 0.40 C ATOM 0 H ALA A 67 -23.005 -6.741 -3.602 1.00 0.41 H new ATOM 0 HA ALA A 67 -21.423 -7.010 -1.348 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -23.407 -8.121 -0.372 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -23.848 -6.670 -1.302 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -24.104 -8.286 -2.001 1.00 0.40 H new ATOM 1041 N GLY A 68 -20.517 -9.270 -1.086 1.00 0.32 N ATOM 1042 CA GLY A 68 -19.853 -10.550 -0.989 1.00 0.33 C ATOM 1043 C GLY A 68 -18.391 -10.384 -0.635 1.00 0.27 C ATOM 1044 O GLY A 68 -17.817 -9.314 -0.846 1.00 0.26 O ATOM 0 H GLY A 68 -20.203 -8.579 -0.405 1.00 0.32 H new ATOM 0 HA2 GLY A 68 -20.346 -11.162 -0.233 1.00 0.33 H new ATOM 0 HA3 GLY A 68 -19.942 -11.081 -1.937 1.00 0.33 H new ATOM 1048 N ARG A 69 -17.792 -11.421 -0.077 1.00 0.28 N ATOM 1049 CA ARG A 69 -16.389 -11.376 0.294 1.00 0.26 C ATOM 1050 C ARG A 69 -15.502 -11.628 -0.920 1.00 0.26 C ATOM 1051 O ARG A 69 -15.372 -12.758 -1.395 1.00 0.37 O ATOM 1052 CB ARG A 69 -16.098 -12.391 1.399 1.00 0.32 C ATOM 1053 CG ARG A 69 -14.697 -12.289 1.968 1.00 0.39 C ATOM 1054 CD ARG A 69 -14.565 -13.096 3.248 1.00 0.48 C ATOM 1055 NE ARG A 69 -15.482 -12.632 4.294 1.00 1.24 N ATOM 1056 CZ ARG A 69 -15.256 -12.770 5.602 1.00 1.73 C ATOM 1057 NH1 ARG A 69 -14.198 -13.453 6.033 1.00 1.65 N ATOM 1058 NH2 ARG A 69 -16.113 -12.260 6.477 1.00 2.78 N ATOM 0 H ARG A 69 -18.256 -12.306 0.129 1.00 0.28 H new ATOM 0 HA ARG A 69 -16.164 -10.380 0.675 1.00 0.26 H new ATOM 0 HB2 ARG A 69 -16.819 -12.253 2.205 1.00 0.32 H new ATOM 0 HB3 ARG A 69 -16.248 -13.396 1.005 1.00 0.32 H new ATOM 0 HG2 ARG A 69 -13.976 -12.647 1.233 1.00 0.39 H new ATOM 0 HG3 ARG A 69 -14.457 -11.244 2.167 1.00 0.39 H new ATOM 0 HD2 ARG A 69 -14.762 -14.147 3.035 1.00 0.48 H new ATOM 0 HD3 ARG A 69 -13.540 -13.031 3.612 1.00 0.48 H new ATOM 0 HE ARG A 69 -16.347 -12.175 4.004 1.00 1.24 H new ATOM 0 HH11 ARG A 69 -13.555 -13.874 5.362 1.00 1.65 H new ATOM 0 HH12 ARG A 69 -14.030 -13.555 7.034 1.00 1.65 H new ATOM 0 HH21 ARG A 69 -16.942 -11.764 6.149 1.00 2.78 H new ATOM 0 HH22 ARG A 69 -15.943 -12.364 7.477 1.00 2.78 H new ATOM 1072 N HIS A 70 -14.904 -10.560 -1.419 1.00 0.21 N ATOM 1073 CA HIS A 70 -14.058 -10.624 -2.601 1.00 0.24 C ATOM 1074 C HIS A 70 -12.613 -10.863 -2.206 1.00 0.25 C ATOM 1075 O HIS A 70 -12.185 -10.474 -1.120 1.00 0.37 O ATOM 1076 CB HIS A 70 -14.148 -9.323 -3.395 1.00 0.30 C ATOM 1077 CG HIS A 70 -15.501 -9.041 -3.966 1.00 0.35 C ATOM 1078 ND1 HIS A 70 -15.908 -9.494 -5.199 1.00 0.60 N ATOM 1079 CD2 HIS A 70 -16.541 -8.341 -3.463 1.00 0.41 C ATOM 1080 CE1 HIS A 70 -17.139 -9.085 -5.431 1.00 0.62 C ATOM 1081 NE2 HIS A 70 -17.546 -8.383 -4.391 1.00 0.47 N ATOM 0 H HIS A 70 -14.990 -9.626 -1.018 1.00 0.21 H new ATOM 0 HA HIS A 70 -14.407 -11.451 -3.220 1.00 0.24 H new ATOM 0 HB2 HIS A 70 -13.861 -8.495 -2.747 1.00 0.30 H new ATOM 0 HB3 HIS A 70 -13.423 -9.357 -4.209 1.00 0.30 H new ATOM 0 HD2 HIS A 70 -16.573 -7.841 -2.506 1.00 0.41 H new ATOM 0 HE1 HIS A 70 -17.716 -9.290 -6.321 1.00 0.62 H new ATOM 0 HE2 HIS A 70 -18.461 -7.943 -4.294 1.00 0.47 H new ATOM 1090 N MET A 71 -11.867 -11.491 -3.094 1.00 0.33 N ATOM 1091 CA MET A 71 -10.461 -11.754 -2.856 1.00 0.38 C ATOM 1092 C MET A 71 -9.676 -11.484 -4.131 1.00 0.38 C ATOM 1093 O MET A 71 -9.616 -12.328 -5.027 1.00 0.48 O ATOM 1094 CB MET A 71 -10.280 -13.203 -2.401 1.00 0.47 C ATOM 1095 CG MET A 71 -8.891 -13.527 -1.882 1.00 0.60 C ATOM 1096 SD MET A 71 -8.783 -15.211 -1.246 1.00 0.80 S ATOM 1097 CE MET A 71 -7.119 -15.222 -0.586 1.00 1.80 C ATOM 0 H MET A 71 -12.213 -11.830 -3.991 1.00 0.33 H new ATOM 0 HA MET A 71 -10.087 -11.098 -2.070 1.00 0.38 H new ATOM 0 HB2 MET A 71 -11.007 -13.419 -1.618 1.00 0.47 H new ATOM 0 HB3 MET A 71 -10.506 -13.865 -3.237 1.00 0.47 H new ATOM 0 HG2 MET A 71 -8.165 -13.395 -2.684 1.00 0.60 H new ATOM 0 HG3 MET A 71 -8.626 -12.824 -1.093 1.00 0.60 H new ATOM 0 HE1 MET A 71 -7.034 -15.998 0.175 1.00 1.80 H new ATOM 0 HE2 MET A 71 -6.410 -15.423 -1.389 1.00 1.80 H new ATOM 0 HE3 MET A 71 -6.898 -14.252 -0.141 1.00 1.80 H new ATOM 1107 N PHE A 72 -9.102 -10.295 -4.228 1.00 0.33 N ATOM 1108 CA PHE A 72 -8.423 -9.884 -5.446 1.00 0.31 C ATOM 1109 C PHE A 72 -6.993 -9.459 -5.139 1.00 0.29 C ATOM 1110 O PHE A 72 -6.706 -8.954 -4.053 1.00 0.30 O ATOM 1111 CB PHE A 72 -9.192 -8.743 -6.142 1.00 0.33 C ATOM 1112 CG PHE A 72 -8.946 -7.365 -5.572 1.00 0.31 C ATOM 1113 CD1 PHE A 72 -9.286 -7.060 -4.263 1.00 0.37 C ATOM 1114 CD2 PHE A 72 -8.375 -6.372 -6.357 1.00 0.31 C ATOM 1115 CE1 PHE A 72 -9.058 -5.798 -3.750 1.00 0.36 C ATOM 1116 CE2 PHE A 72 -8.148 -5.109 -5.847 1.00 0.32 C ATOM 1117 CZ PHE A 72 -8.489 -4.822 -4.541 1.00 0.29 C ATOM 0 H PHE A 72 -9.093 -9.600 -3.481 1.00 0.33 H new ATOM 0 HA PHE A 72 -8.392 -10.735 -6.126 1.00 0.31 H new ATOM 0 HB2 PHE A 72 -8.923 -8.736 -7.198 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -10.259 -8.958 -6.086 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -9.734 -7.818 -3.637 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -8.105 -6.590 -7.380 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -9.326 -5.575 -2.728 1.00 0.36 H new ATOM 0 HE2 PHE A 72 -7.704 -4.346 -6.470 1.00 0.32 H new ATOM 0 HZ PHE A 72 -8.311 -3.835 -4.139 1.00 0.29 H new ATOM 1127 N VAL A 73 -6.102 -9.674 -6.086 1.00 0.29 N ATOM 1128 CA VAL A 73 -4.714 -9.292 -5.914 1.00 0.29 C ATOM 1129 C VAL A 73 -4.470 -7.889 -6.447 1.00 0.30 C ATOM 1130 O VAL A 73 -4.931 -7.530 -7.532 1.00 0.47 O ATOM 1131 CB VAL A 73 -3.745 -10.283 -6.594 1.00 0.36 C ATOM 1132 CG1 VAL A 73 -3.698 -11.594 -5.831 1.00 1.12 C ATOM 1133 CG2 VAL A 73 -4.141 -10.532 -8.039 1.00 1.00 C ATOM 0 H VAL A 73 -6.314 -10.111 -6.983 1.00 0.29 H new ATOM 0 HA VAL A 73 -4.515 -9.312 -4.843 1.00 0.29 H new ATOM 0 HB VAL A 73 -2.751 -9.836 -6.585 1.00 0.36 H new ATOM 0 HG11 VAL A 73 -3.010 -12.279 -6.326 1.00 1.12 H new ATOM 0 HG12 VAL A 73 -3.357 -11.410 -4.812 1.00 1.12 H new ATOM 0 HG13 VAL A 73 -4.694 -12.036 -5.806 1.00 1.12 H new ATOM 0 HG21 VAL A 73 -3.441 -11.234 -8.492 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -5.147 -10.950 -8.074 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -4.120 -9.591 -8.589 1.00 1.00 H new ATOM 1143 N PHE A 74 -3.766 -7.091 -5.670 1.00 0.26 N ATOM 1144 CA PHE A 74 -3.414 -5.749 -6.082 1.00 0.25 C ATOM 1145 C PHE A 74 -1.919 -5.701 -6.322 1.00 0.25 C ATOM 1146 O PHE A 74 -1.126 -5.951 -5.412 1.00 0.31 O ATOM 1147 CB PHE A 74 -3.816 -4.731 -5.011 1.00 0.28 C ATOM 1148 CG PHE A 74 -3.869 -3.299 -5.492 1.00 0.27 C ATOM 1149 CD1 PHE A 74 -2.849 -2.756 -6.266 1.00 0.43 C ATOM 1150 CD2 PHE A 74 -4.945 -2.493 -5.157 1.00 0.39 C ATOM 1151 CE1 PHE A 74 -2.904 -1.442 -6.690 1.00 0.42 C ATOM 1152 CE2 PHE A 74 -5.003 -1.180 -5.576 1.00 0.44 C ATOM 1153 CZ PHE A 74 -3.982 -0.654 -6.342 1.00 0.31 C ATOM 0 H PHE A 74 -3.425 -7.351 -4.745 1.00 0.26 H new ATOM 0 HA PHE A 74 -3.947 -5.493 -6.997 1.00 0.25 H new ATOM 0 HB2 PHE A 74 -4.795 -5.005 -4.618 1.00 0.28 H new ATOM 0 HB3 PHE A 74 -3.110 -4.796 -4.183 1.00 0.28 H new ATOM 0 HD1 PHE A 74 -2.003 -3.369 -6.539 1.00 0.43 H new ATOM 0 HD2 PHE A 74 -5.749 -2.898 -4.560 1.00 0.39 H new ATOM 0 HE1 PHE A 74 -2.106 -1.033 -7.292 1.00 0.42 H new ATOM 0 HE2 PHE A 74 -5.847 -0.563 -5.305 1.00 0.44 H new ATOM 0 HZ PHE A 74 -4.027 0.374 -6.669 1.00 0.31 H new ATOM 1163 N GLN A 75 -1.537 -5.396 -7.544 1.00 0.24 N ATOM 1164 CA GLN A 75 -0.132 -5.387 -7.910 1.00 0.27 C ATOM 1165 C GLN A 75 0.216 -4.120 -8.672 1.00 0.32 C ATOM 1166 O GLN A 75 -0.439 -3.769 -9.655 1.00 0.41 O ATOM 1167 CB GLN A 75 0.225 -6.616 -8.747 1.00 0.32 C ATOM 1168 CG GLN A 75 0.058 -7.938 -8.010 1.00 0.49 C ATOM 1169 CD GLN A 75 0.470 -9.129 -8.855 1.00 0.52 C ATOM 1170 OE1 GLN A 75 -0.052 -10.232 -8.691 1.00 1.14 O ATOM 1171 NE2 GLN A 75 1.411 -8.916 -9.763 1.00 1.12 N ATOM 0 H GLN A 75 -2.176 -5.151 -8.301 1.00 0.24 H new ATOM 0 HA GLN A 75 0.451 -5.415 -6.990 1.00 0.27 H new ATOM 0 HB2 GLN A 75 -0.400 -6.628 -9.640 1.00 0.32 H new ATOM 0 HB3 GLN A 75 1.258 -6.527 -9.082 1.00 0.32 H new ATOM 0 HG2 GLN A 75 0.654 -7.920 -7.098 1.00 0.49 H new ATOM 0 HG3 GLN A 75 -0.983 -8.053 -7.708 1.00 0.49 H new ATOM 0 HE21 GLN A 75 1.818 -7.987 -9.867 1.00 1.12 H new ATOM 0 HE22 GLN A 75 1.728 -9.681 -10.358 1.00 1.12 H new ATOM 1180 N ALA A 76 1.241 -3.437 -8.202 1.00 0.36 N ATOM 1181 CA ALA A 76 1.715 -2.225 -8.840 1.00 0.46 C ATOM 1182 C ALA A 76 3.230 -2.245 -8.881 1.00 0.40 C ATOM 1183 O ALA A 76 3.862 -2.701 -7.937 1.00 0.48 O ATOM 1184 CB ALA A 76 1.206 -1.004 -8.094 1.00 0.56 C ATOM 0 H ALA A 76 1.767 -3.705 -7.370 1.00 0.36 H new ATOM 0 HA ALA A 76 1.334 -2.174 -9.860 1.00 0.46 H new ATOM 0 HB1 ALA A 76 1.569 -0.101 -8.584 1.00 0.56 H new ATOM 0 HB2 ALA A 76 0.116 -1.004 -8.096 1.00 0.56 H new ATOM 0 HB3 ALA A 76 1.567 -1.029 -7.066 1.00 0.56 H new ATOM 1190 N ASP A 77 3.809 -1.767 -9.971 1.00 0.56 N ATOM 1191 CA ASP A 77 5.255 -1.863 -10.171 1.00 0.61 C ATOM 1192 C ASP A 77 6.022 -1.003 -9.169 1.00 0.43 C ATOM 1193 O ASP A 77 5.423 -0.265 -8.382 1.00 0.47 O ATOM 1194 CB ASP A 77 5.628 -1.449 -11.595 1.00 0.95 C ATOM 1195 CG ASP A 77 4.911 -2.267 -12.646 1.00 1.54 C ATOM 1196 OD1 ASP A 77 5.354 -3.403 -12.919 1.00 2.13 O ATOM 1197 OD2 ASP A 77 3.905 -1.790 -13.201 1.00 2.06 O ATOM 0 H ASP A 77 3.306 -1.309 -10.731 1.00 0.56 H new ATOM 0 HA ASP A 77 5.535 -2.904 -10.011 1.00 0.61 H new ATOM 0 HB2 ASP A 77 5.391 -0.395 -11.737 1.00 0.95 H new ATOM 0 HB3 ASP A 77 6.704 -1.555 -11.730 1.00 0.95 H new ATOM 1202 N ALA A 78 7.348 -1.106 -9.211 1.00 0.45 N ATOM 1203 CA ALA A 78 8.218 -0.362 -8.316 1.00 0.36 C ATOM 1204 C ALA A 78 7.954 1.133 -8.412 1.00 0.37 C ATOM 1205 O ALA A 78 7.809 1.682 -9.510 1.00 0.46 O ATOM 1206 CB ALA A 78 9.677 -0.667 -8.631 1.00 0.40 C ATOM 0 H ALA A 78 7.845 -1.708 -9.867 1.00 0.45 H new ATOM 0 HA ALA A 78 8.004 -0.674 -7.294 1.00 0.36 H new ATOM 0 HB1 ALA A 78 10.321 -0.104 -7.955 1.00 0.40 H new ATOM 0 HB2 ALA A 78 9.861 -1.734 -8.504 1.00 0.40 H new ATOM 0 HB3 ALA A 78 9.894 -0.381 -9.660 1.00 0.40 H new ATOM 1212 N PRO A 79 7.867 1.803 -7.257 1.00 0.34 N ATOM 1213 CA PRO A 79 7.648 3.245 -7.191 1.00 0.43 C ATOM 1214 C PRO A 79 8.810 4.020 -7.794 1.00 0.41 C ATOM 1215 O PRO A 79 9.922 3.501 -7.891 1.00 0.47 O ATOM 1216 CB PRO A 79 7.542 3.534 -5.688 1.00 0.47 C ATOM 1217 CG PRO A 79 7.294 2.212 -5.049 1.00 0.53 C ATOM 1218 CD PRO A 79 7.968 1.200 -5.923 1.00 0.33 C ATOM 0 HA PRO A 79 6.765 3.548 -7.754 1.00 0.43 H new ATOM 0 HB2 PRO A 79 8.458 3.988 -5.309 1.00 0.47 H new ATOM 0 HB3 PRO A 79 6.730 4.231 -5.478 1.00 0.47 H new ATOM 0 HG2 PRO A 79 7.699 2.185 -4.037 1.00 0.53 H new ATOM 0 HG3 PRO A 79 6.226 2.010 -4.971 1.00 0.53 H new ATOM 0 HD2 PRO A 79 9.005 1.039 -5.629 1.00 0.33 H new ATOM 0 HD3 PRO A 79 7.470 0.231 -5.878 1.00 0.33 H new ATOM 1226 N ASN A 80 8.536 5.256 -8.198 1.00 0.43 N ATOM 1227 CA ASN A 80 9.545 6.137 -8.782 1.00 0.46 C ATOM 1228 C ASN A 80 10.804 6.171 -7.919 1.00 0.40 C ATOM 1229 O ASN A 80 10.778 6.677 -6.795 1.00 0.39 O ATOM 1230 CB ASN A 80 8.985 7.555 -8.916 1.00 0.56 C ATOM 1231 CG ASN A 80 7.684 7.608 -9.693 1.00 1.33 C ATOM 1232 OD1 ASN A 80 6.608 7.418 -9.130 1.00 2.19 O ATOM 1233 ND2 ASN A 80 7.771 7.873 -10.985 1.00 1.59 N ATOM 0 H ASN A 80 7.609 5.676 -8.131 1.00 0.43 H new ATOM 0 HA ASN A 80 9.805 5.749 -9.767 1.00 0.46 H new ATOM 0 HB2 ASN A 80 8.825 7.972 -7.922 1.00 0.56 H new ATOM 0 HB3 ASN A 80 9.723 8.186 -9.411 1.00 0.56 H new ATOM 0 HD21 ASN A 80 6.925 7.926 -11.553 1.00 1.59 H new ATOM 0 HD22 ASN A 80 8.684 8.025 -11.414 1.00 1.59 H new ATOM 1240 N PRO A 81 11.922 5.629 -8.431 1.00 0.41 N ATOM 1241 CA PRO A 81 13.195 5.596 -7.704 1.00 0.41 C ATOM 1242 C PRO A 81 13.782 6.992 -7.529 1.00 0.43 C ATOM 1243 O PRO A 81 14.729 7.190 -6.773 1.00 0.48 O ATOM 1244 CB PRO A 81 14.108 4.737 -8.589 1.00 0.47 C ATOM 1245 CG PRO A 81 13.199 4.069 -9.566 1.00 0.54 C ATOM 1246 CD PRO A 81 12.037 4.996 -9.751 1.00 0.48 C ATOM 0 HA PRO A 81 13.077 5.198 -6.696 1.00 0.41 H new ATOM 0 HB2 PRO A 81 14.851 5.350 -9.099 1.00 0.47 H new ATOM 0 HB3 PRO A 81 14.654 4.004 -7.995 1.00 0.47 H new ATOM 0 HG2 PRO A 81 13.709 3.889 -10.513 1.00 0.54 H new ATOM 0 HG3 PRO A 81 12.869 3.100 -9.192 1.00 0.54 H new ATOM 0 HD2 PRO A 81 12.223 5.728 -10.537 1.00 0.48 H new ATOM 0 HD3 PRO A 81 11.129 4.459 -10.024 1.00 0.48 H new ATOM 1254 N GLY A 82 13.219 7.952 -8.251 1.00 0.45 N ATOM 1255 CA GLY A 82 13.636 9.330 -8.112 1.00 0.49 C ATOM 1256 C GLY A 82 12.912 10.028 -6.980 1.00 0.48 C ATOM 1257 O GLY A 82 13.312 11.108 -6.549 1.00 0.51 O ATOM 0 H GLY A 82 12.477 7.798 -8.934 1.00 0.45 H new ATOM 0 HA2 GLY A 82 14.711 9.368 -7.933 1.00 0.49 H new ATOM 0 HA3 GLY A 82 13.449 9.862 -9.045 1.00 0.49 H new ATOM 1261 N LEU A 83 11.844 9.408 -6.491 1.00 0.46 N ATOM 1262 CA LEU A 83 11.068 9.982 -5.403 1.00 0.49 C ATOM 1263 C LEU A 83 11.481 9.392 -4.066 1.00 0.46 C ATOM 1264 O LEU A 83 11.304 10.025 -3.028 1.00 0.52 O ATOM 1265 CB LEU A 83 9.572 9.782 -5.635 1.00 0.52 C ATOM 1266 CG LEU A 83 8.948 10.760 -6.629 1.00 0.58 C ATOM 1267 CD1 LEU A 83 7.518 10.362 -6.952 1.00 1.60 C ATOM 1268 CD2 LEU A 83 8.993 12.176 -6.072 1.00 1.34 C ATOM 0 H LEU A 83 11.498 8.511 -6.831 1.00 0.46 H new ATOM 0 HA LEU A 83 11.272 11.052 -5.380 1.00 0.49 H new ATOM 0 HB2 LEU A 83 9.405 8.766 -5.992 1.00 0.52 H new ATOM 0 HB3 LEU A 83 9.054 9.874 -4.680 1.00 0.52 H new ATOM 0 HG LEU A 83 9.526 10.728 -7.552 1.00 0.58 H new ATOM 0 HD11 LEU A 83 7.094 11.073 -7.661 1.00 1.60 H new ATOM 0 HD12 LEU A 83 7.508 9.363 -7.389 1.00 1.60 H new ATOM 0 HD13 LEU A 83 6.924 10.364 -6.038 1.00 1.60 H new ATOM 0 HD21 LEU A 83 8.545 12.864 -6.790 1.00 1.34 H new ATOM 0 HD22 LEU A 83 8.437 12.216 -5.135 1.00 1.34 H new ATOM 0 HD23 LEU A 83 10.029 12.463 -5.892 1.00 1.34 H new ATOM 1280 N ILE A 84 12.030 8.183 -4.093 1.00 0.41 N ATOM 1281 CA ILE A 84 12.552 7.570 -2.883 1.00 0.40 C ATOM 1282 C ILE A 84 13.953 8.108 -2.607 1.00 0.46 C ATOM 1283 O ILE A 84 14.895 7.816 -3.344 1.00 0.52 O ATOM 1284 CB ILE A 84 12.597 6.031 -2.992 1.00 0.37 C ATOM 1285 CG1 ILE A 84 11.215 5.487 -3.369 1.00 0.34 C ATOM 1286 CG2 ILE A 84 13.068 5.420 -1.678 1.00 0.39 C ATOM 1287 CD1 ILE A 84 11.196 3.995 -3.620 1.00 0.33 C ATOM 0 H ILE A 84 12.124 7.613 -4.934 1.00 0.41 H new ATOM 0 HA ILE A 84 11.883 7.823 -2.061 1.00 0.40 H new ATOM 0 HB ILE A 84 13.305 5.757 -3.774 1.00 0.37 H new ATOM 0 HG12 ILE A 84 10.512 5.721 -2.570 1.00 0.34 H new ATOM 0 HG13 ILE A 84 10.863 6.001 -4.263 1.00 0.34 H new ATOM 0 HG21 ILE A 84 13.095 4.334 -1.770 1.00 0.39 H new ATOM 0 HG22 ILE A 84 14.066 5.789 -1.443 1.00 0.39 H new ATOM 0 HG23 ILE A 84 12.380 5.699 -0.880 1.00 0.39 H new ATOM 0 HD11 ILE A 84 10.185 3.683 -3.882 1.00 0.33 H new ATOM 0 HD12 ILE A 84 11.873 3.755 -4.440 1.00 0.33 H new ATOM 0 HD13 ILE A 84 11.516 3.470 -2.720 1.00 0.33 H new ATOM 1299 N PRO A 85 14.102 8.920 -1.551 1.00 0.48 N ATOM 1300 CA PRO A 85 15.359 9.596 -1.229 1.00 0.57 C ATOM 1301 C PRO A 85 16.433 8.629 -0.756 1.00 0.56 C ATOM 1302 O PRO A 85 16.140 7.507 -0.342 1.00 0.55 O ATOM 1303 CB PRO A 85 14.969 10.566 -0.099 1.00 0.68 C ATOM 1304 CG PRO A 85 13.483 10.616 -0.143 1.00 0.81 C ATOM 1305 CD PRO A 85 13.068 9.245 -0.568 1.00 0.50 C ATOM 0 HA PRO A 85 15.788 10.090 -2.101 1.00 0.57 H new ATOM 0 HB2 PRO A 85 15.325 10.211 0.868 1.00 0.68 H new ATOM 0 HB3 PRO A 85 15.404 11.553 -0.256 1.00 0.68 H new ATOM 0 HG2 PRO A 85 13.067 10.871 0.832 1.00 0.81 H new ATOM 0 HG3 PRO A 85 13.133 11.371 -0.847 1.00 0.81 H new ATOM 0 HD2 PRO A 85 13.059 8.542 0.265 1.00 0.50 H new ATOM 0 HD3 PRO A 85 12.069 9.235 -1.004 1.00 0.50 H new ATOM 1313 N ASP A 86 17.676 9.082 -0.811 1.00 0.67 N ATOM 1314 CA ASP A 86 18.821 8.261 -0.440 1.00 0.76 C ATOM 1315 C ASP A 86 18.715 7.779 1.006 1.00 0.78 C ATOM 1316 O ASP A 86 18.900 6.596 1.285 1.00 0.86 O ATOM 1317 CB ASP A 86 20.124 9.042 -0.657 1.00 0.98 C ATOM 1318 CG ASP A 86 20.114 10.401 0.010 1.00 1.52 C ATOM 1319 OD1 ASP A 86 19.446 11.318 -0.507 1.00 1.92 O ATOM 1320 OD2 ASP A 86 20.776 10.556 1.058 1.00 2.29 O ATOM 0 H ASP A 86 17.920 10.025 -1.113 1.00 0.67 H new ATOM 0 HA ASP A 86 18.828 7.379 -1.081 1.00 0.76 H new ATOM 0 HB2 ASP A 86 20.960 8.459 -0.270 1.00 0.98 H new ATOM 0 HB3 ASP A 86 20.292 9.169 -1.726 1.00 0.98 H new ATOM 1325 N ALA A 87 18.391 8.689 1.915 1.00 0.83 N ATOM 1326 CA ALA A 87 18.255 8.342 3.325 1.00 0.99 C ATOM 1327 C ALA A 87 17.065 7.409 3.554 1.00 0.90 C ATOM 1328 O ALA A 87 17.096 6.552 4.439 1.00 1.07 O ATOM 1329 CB ALA A 87 18.114 9.602 4.163 1.00 1.25 C ATOM 0 H ALA A 87 18.218 9.671 1.703 1.00 0.83 H new ATOM 0 HA ALA A 87 19.156 7.812 3.633 1.00 0.99 H new ATOM 0 HB1 ALA A 87 18.013 9.331 5.214 1.00 1.25 H new ATOM 0 HB2 ALA A 87 18.998 10.226 4.033 1.00 1.25 H new ATOM 0 HB3 ALA A 87 17.230 10.154 3.844 1.00 1.25 H new ATOM 1335 N ASP A 88 16.026 7.577 2.743 1.00 0.76 N ATOM 1336 CA ASP A 88 14.810 6.777 2.865 1.00 0.78 C ATOM 1337 C ASP A 88 15.016 5.358 2.360 1.00 0.62 C ATOM 1338 O ASP A 88 14.519 4.400 2.953 1.00 0.64 O ATOM 1339 CB ASP A 88 13.675 7.420 2.080 1.00 0.99 C ATOM 1340 CG ASP A 88 12.656 8.090 2.964 1.00 1.41 C ATOM 1341 OD1 ASP A 88 11.747 7.393 3.471 1.00 1.68 O ATOM 1342 OD2 ASP A 88 12.772 9.312 3.182 1.00 1.94 O ATOM 0 H ASP A 88 16.001 8.264 1.989 1.00 0.76 H new ATOM 0 HA ASP A 88 14.557 6.735 3.924 1.00 0.78 H new ATOM 0 HB2 ASP A 88 14.089 8.155 1.389 1.00 0.99 H new ATOM 0 HB3 ASP A 88 13.180 6.659 1.477 1.00 0.99 H new ATOM 1347 N ALA A 89 15.751 5.231 1.260 1.00 0.54 N ATOM 1348 CA ALA A 89 15.981 3.938 0.630 1.00 0.49 C ATOM 1349 C ALA A 89 16.668 2.972 1.585 1.00 0.44 C ATOM 1350 O ALA A 89 16.455 1.769 1.525 1.00 0.51 O ATOM 1351 CB ALA A 89 16.802 4.107 -0.640 1.00 0.48 C ATOM 0 H ALA A 89 16.200 6.014 0.785 1.00 0.54 H new ATOM 0 HA ALA A 89 15.012 3.514 0.368 1.00 0.49 H new ATOM 0 HB1 ALA A 89 16.966 3.132 -1.100 1.00 0.48 H new ATOM 0 HB2 ALA A 89 16.266 4.751 -1.337 1.00 0.48 H new ATOM 0 HB3 ALA A 89 17.763 4.559 -0.394 1.00 0.48 H new ATOM 1357 N VAL A 90 17.493 3.500 2.469 1.00 0.41 N ATOM 1358 CA VAL A 90 18.154 2.672 3.463 1.00 0.43 C ATOM 1359 C VAL A 90 17.434 2.793 4.813 1.00 0.43 C ATOM 1360 O VAL A 90 18.065 2.828 5.872 1.00 0.49 O ATOM 1361 CB VAL A 90 19.635 3.065 3.632 1.00 0.49 C ATOM 1362 CG1 VAL A 90 20.394 1.950 4.325 1.00 0.56 C ATOM 1363 CG2 VAL A 90 20.268 3.387 2.288 1.00 0.54 C ATOM 0 H VAL A 90 17.721 4.493 2.520 1.00 0.41 H new ATOM 0 HA VAL A 90 18.112 1.640 3.115 1.00 0.43 H new ATOM 0 HB VAL A 90 19.685 3.961 4.250 1.00 0.49 H new ATOM 0 HG11 VAL A 90 21.439 2.238 4.439 1.00 0.56 H new ATOM 0 HG12 VAL A 90 19.958 1.769 5.307 1.00 0.56 H new ATOM 0 HG13 VAL A 90 20.331 1.041 3.727 1.00 0.56 H new ATOM 0 HG21 VAL A 90 21.313 3.661 2.434 1.00 0.54 H new ATOM 0 HG22 VAL A 90 20.210 2.513 1.640 1.00 0.54 H new ATOM 0 HG23 VAL A 90 19.736 4.218 1.825 1.00 0.54 H new ATOM 1373 N GLY A 91 16.111 2.852 4.778 1.00 0.42 N ATOM 1374 CA GLY A 91 15.358 3.074 5.997 1.00 0.46 C ATOM 1375 C GLY A 91 13.926 2.598 5.894 1.00 0.43 C ATOM 1376 O GLY A 91 13.627 1.658 5.157 1.00 0.62 O ATOM 0 H GLY A 91 15.548 2.751 3.934 1.00 0.42 H new ATOM 0 HA2 GLY A 91 15.850 2.558 6.822 1.00 0.46 H new ATOM 0 HA3 GLY A 91 15.367 4.137 6.236 1.00 0.46 H new ATOM 1380 N VAL A 92 13.036 3.252 6.629 1.00 0.40 N ATOM 1381 CA VAL A 92 11.643 2.839 6.685 1.00 0.38 C ATOM 1382 C VAL A 92 10.723 3.892 6.062 1.00 0.36 C ATOM 1383 O VAL A 92 10.780 5.073 6.402 1.00 0.55 O ATOM 1384 CB VAL A 92 11.204 2.534 8.141 1.00 0.50 C ATOM 1385 CG1 VAL A 92 11.415 3.737 9.051 1.00 1.07 C ATOM 1386 CG2 VAL A 92 9.753 2.077 8.185 1.00 1.23 C ATOM 0 H VAL A 92 13.256 4.072 7.195 1.00 0.40 H new ATOM 0 HA VAL A 92 11.555 1.922 6.102 1.00 0.38 H new ATOM 0 HB VAL A 92 11.832 1.723 8.510 1.00 0.50 H new ATOM 0 HG11 VAL A 92 11.097 3.488 10.063 1.00 1.07 H new ATOM 0 HG12 VAL A 92 12.471 4.007 9.059 1.00 1.07 H new ATOM 0 HG13 VAL A 92 10.828 4.579 8.683 1.00 1.07 H new ATOM 0 HG21 VAL A 92 9.468 1.869 9.216 1.00 1.23 H new ATOM 0 HG22 VAL A 92 9.112 2.862 7.783 1.00 1.23 H new ATOM 0 HG23 VAL A 92 9.638 1.173 7.588 1.00 1.23 H new ATOM 1396 N THR A 93 9.883 3.440 5.148 1.00 0.28 N ATOM 1397 CA THR A 93 8.935 4.281 4.461 1.00 0.28 C ATOM 1398 C THR A 93 7.588 3.560 4.499 1.00 0.27 C ATOM 1399 O THR A 93 7.542 2.394 4.854 1.00 0.41 O ATOM 1400 CB THR A 93 9.392 4.517 3.008 1.00 0.35 C ATOM 1401 OG1 THR A 93 10.821 4.655 2.959 1.00 0.63 O ATOM 1402 CG2 THR A 93 8.753 5.763 2.438 1.00 0.59 C ATOM 0 H THR A 93 9.844 2.462 4.862 1.00 0.28 H new ATOM 0 HA THR A 93 8.856 5.258 4.939 1.00 0.28 H new ATOM 0 HB THR A 93 9.083 3.658 2.413 1.00 0.35 H new ATOM 0 HG1 THR A 93 11.066 5.587 3.136 1.00 0.63 H new ATOM 0 HG21 THR A 93 9.091 5.908 1.412 1.00 0.59 H new ATOM 0 HG22 THR A 93 7.669 5.654 2.451 1.00 0.59 H new ATOM 0 HG23 THR A 93 9.038 6.626 3.040 1.00 0.59 H new ATOM 1410 N VAL A 94 6.491 4.217 4.175 1.00 0.25 N ATOM 1411 CA VAL A 94 5.193 3.565 4.307 1.00 0.25 C ATOM 1412 C VAL A 94 4.550 3.319 2.944 1.00 0.24 C ATOM 1413 O VAL A 94 4.701 4.114 2.020 1.00 0.28 O ATOM 1414 CB VAL A 94 4.238 4.391 5.200 1.00 0.30 C ATOM 1415 CG1 VAL A 94 2.897 3.690 5.371 1.00 0.36 C ATOM 1416 CG2 VAL A 94 4.875 4.656 6.555 1.00 0.32 C ATOM 0 H VAL A 94 6.465 5.176 3.827 1.00 0.25 H new ATOM 0 HA VAL A 94 5.368 2.601 4.784 1.00 0.25 H new ATOM 0 HB VAL A 94 4.057 5.345 4.705 1.00 0.30 H new ATOM 0 HG11 VAL A 94 2.248 4.296 6.004 1.00 0.36 H new ATOM 0 HG12 VAL A 94 2.430 3.555 4.395 1.00 0.36 H new ATOM 0 HG13 VAL A 94 3.052 2.717 5.837 1.00 0.36 H new ATOM 0 HG21 VAL A 94 4.190 5.238 7.171 1.00 0.32 H new ATOM 0 HG22 VAL A 94 5.090 3.708 7.048 1.00 0.32 H new ATOM 0 HG23 VAL A 94 5.802 5.212 6.419 1.00 0.32 H new ATOM 1426 N VAL A 95 3.860 2.197 2.817 1.00 0.22 N ATOM 1427 CA VAL A 95 3.043 1.934 1.652 1.00 0.22 C ATOM 1428 C VAL A 95 1.604 1.786 2.114 1.00 0.24 C ATOM 1429 O VAL A 95 1.309 0.998 3.014 1.00 0.34 O ATOM 1430 CB VAL A 95 3.504 0.674 0.873 1.00 0.26 C ATOM 1431 CG1 VAL A 95 3.400 -0.591 1.715 1.00 0.54 C ATOM 1432 CG2 VAL A 95 2.713 0.526 -0.416 1.00 0.60 C ATOM 0 H VAL A 95 3.852 1.452 3.513 1.00 0.22 H new ATOM 0 HA VAL A 95 3.141 2.768 0.957 1.00 0.22 H new ATOM 0 HB VAL A 95 4.557 0.812 0.627 1.00 0.26 H new ATOM 0 HG11 VAL A 95 3.733 -1.447 1.128 1.00 0.54 H new ATOM 0 HG12 VAL A 95 4.028 -0.491 2.600 1.00 0.54 H new ATOM 0 HG13 VAL A 95 2.364 -0.741 2.020 1.00 0.54 H new ATOM 0 HG21 VAL A 95 3.050 -0.363 -0.949 1.00 0.60 H new ATOM 0 HG22 VAL A 95 1.653 0.430 -0.183 1.00 0.60 H new ATOM 0 HG23 VAL A 95 2.869 1.405 -1.041 1.00 0.60 H new ATOM 1442 N LEU A 96 0.710 2.563 1.546 1.00 0.21 N ATOM 1443 CA LEU A 96 -0.642 2.591 2.054 1.00 0.26 C ATOM 1444 C LEU A 96 -1.668 2.334 0.972 1.00 0.24 C ATOM 1445 O LEU A 96 -1.552 2.819 -0.152 1.00 0.38 O ATOM 1446 CB LEU A 96 -0.928 3.905 2.799 1.00 0.44 C ATOM 1447 CG LEU A 96 -0.627 5.198 2.036 1.00 0.61 C ATOM 1448 CD1 LEU A 96 -1.811 5.615 1.182 1.00 1.13 C ATOM 1449 CD2 LEU A 96 -0.250 6.312 2.998 1.00 1.21 C ATOM 0 H LEU A 96 0.889 3.173 0.748 1.00 0.21 H new ATOM 0 HA LEU A 96 -0.730 1.773 2.769 1.00 0.26 H new ATOM 0 HB2 LEU A 96 -1.980 3.914 3.085 1.00 0.44 H new ATOM 0 HB3 LEU A 96 -0.347 3.909 3.721 1.00 0.44 H new ATOM 0 HG LEU A 96 0.219 5.008 1.375 1.00 0.61 H new ATOM 0 HD11 LEU A 96 -1.570 6.536 0.651 1.00 1.13 H new ATOM 0 HD12 LEU A 96 -2.035 4.829 0.461 1.00 1.13 H new ATOM 0 HD13 LEU A 96 -2.679 5.780 1.820 1.00 1.13 H new ATOM 0 HD21 LEU A 96 -0.040 7.222 2.436 1.00 1.21 H new ATOM 0 HD22 LEU A 96 -1.075 6.493 3.687 1.00 1.21 H new ATOM 0 HD23 LEU A 96 0.636 6.021 3.562 1.00 1.21 H new ATOM 1461 N ILE A 97 -2.653 1.536 1.325 1.00 0.22 N ATOM 1462 CA ILE A 97 -3.777 1.280 0.451 1.00 0.24 C ATOM 1463 C ILE A 97 -4.974 2.098 0.912 1.00 0.26 C ATOM 1464 O ILE A 97 -5.560 1.825 1.963 1.00 0.28 O ATOM 1465 CB ILE A 97 -4.149 -0.216 0.420 1.00 0.27 C ATOM 1466 CG1 ILE A 97 -2.946 -1.049 -0.038 1.00 0.27 C ATOM 1467 CG2 ILE A 97 -5.342 -0.446 -0.498 1.00 0.33 C ATOM 1468 CD1 ILE A 97 -3.211 -2.537 -0.066 1.00 0.30 C ATOM 0 H ILE A 97 -2.697 1.049 2.220 1.00 0.22 H new ATOM 0 HA ILE A 97 -3.491 1.571 -0.560 1.00 0.24 H new ATOM 0 HB ILE A 97 -4.426 -0.531 1.426 1.00 0.27 H new ATOM 0 HG12 ILE A 97 -2.648 -0.723 -1.035 1.00 0.27 H new ATOM 0 HG13 ILE A 97 -2.105 -0.851 0.626 1.00 0.27 H new ATOM 0 HG21 ILE A 97 -5.593 -1.507 -0.510 1.00 0.33 H new ATOM 0 HG22 ILE A 97 -6.196 0.125 -0.134 1.00 0.33 H new ATOM 0 HG23 ILE A 97 -5.092 -0.121 -1.508 1.00 0.33 H new ATOM 0 HD11 ILE A 97 -2.315 -3.060 -0.400 1.00 0.30 H new ATOM 0 HD12 ILE A 97 -3.479 -2.878 0.934 1.00 0.30 H new ATOM 0 HD13 ILE A 97 -4.031 -2.748 -0.753 1.00 0.30 H new ATOM 1480 N THR A 98 -5.300 3.123 0.152 1.00 0.29 N ATOM 1481 CA THR A 98 -6.434 3.971 0.457 1.00 0.33 C ATOM 1482 C THR A 98 -7.647 3.532 -0.345 1.00 0.28 C ATOM 1483 O THR A 98 -7.573 3.392 -1.567 1.00 0.37 O ATOM 1484 CB THR A 98 -6.129 5.444 0.140 1.00 0.43 C ATOM 1485 OG1 THR A 98 -5.587 5.545 -1.183 1.00 1.42 O ATOM 1486 CG2 THR A 98 -5.156 6.035 1.147 1.00 1.07 C ATOM 0 H THR A 98 -4.790 3.391 -0.690 1.00 0.29 H new ATOM 0 HA THR A 98 -6.640 3.877 1.523 1.00 0.33 H new ATOM 0 HB THR A 98 -7.059 6.010 0.202 1.00 0.43 H new ATOM 0 HG1 THR A 98 -5.394 6.484 -1.387 1.00 1.42 H new ATOM 0 HG21 THR A 98 -4.961 7.077 0.895 1.00 1.07 H new ATOM 0 HG22 THR A 98 -5.587 5.978 2.146 1.00 1.07 H new ATOM 0 HG23 THR A 98 -4.222 5.474 1.122 1.00 1.07 H new ATOM 1494 N CYS A 99 -8.746 3.294 0.344 1.00 0.28 N ATOM 1495 CA CYS A 99 -9.983 2.934 -0.314 1.00 0.29 C ATOM 1496 C CYS A 99 -10.934 4.118 -0.296 1.00 0.31 C ATOM 1497 O CYS A 99 -11.502 4.465 0.746 1.00 0.33 O ATOM 1498 CB CYS A 99 -10.611 1.724 0.365 1.00 0.36 C ATOM 1499 SG CYS A 99 -9.455 0.359 0.622 1.00 1.32 S ATOM 0 H CYS A 99 -8.806 3.344 1.361 1.00 0.28 H new ATOM 0 HA CYS A 99 -9.775 2.668 -1.350 1.00 0.29 H new ATOM 0 HB2 CYS A 99 -11.020 2.030 1.328 1.00 0.36 H new ATOM 0 HB3 CYS A 99 -11.447 1.372 -0.239 1.00 0.36 H new ATOM 0 HG CYS A 99 -9.557 -0.487 -0.360 1.00 1.32 H new ATOM 1505 N THR A 100 -11.073 4.751 -1.445 1.00 0.34 N ATOM 1506 CA THR A 100 -11.883 5.943 -1.570 1.00 0.38 C ATOM 1507 C THR A 100 -13.266 5.597 -2.111 1.00 0.37 C ATOM 1508 O THR A 100 -13.394 4.921 -3.134 1.00 0.41 O ATOM 1509 CB THR A 100 -11.209 6.964 -2.509 1.00 0.43 C ATOM 1510 OG1 THR A 100 -9.795 6.998 -2.271 1.00 0.47 O ATOM 1511 CG2 THR A 100 -11.786 8.355 -2.303 1.00 0.50 C ATOM 0 H THR A 100 -10.629 4.453 -2.314 1.00 0.34 H new ATOM 0 HA THR A 100 -11.985 6.383 -0.578 1.00 0.38 H new ATOM 0 HB THR A 100 -11.400 6.652 -3.536 1.00 0.43 H new ATOM 0 HG1 THR A 100 -9.318 6.893 -3.120 1.00 0.47 H new ATOM 0 HG21 THR A 100 -11.294 9.056 -2.977 1.00 0.50 H new ATOM 0 HG22 THR A 100 -12.856 8.340 -2.513 1.00 0.50 H new ATOM 0 HG23 THR A 100 -11.623 8.668 -1.272 1.00 0.50 H new ATOM 1519 N TYR A 101 -14.295 6.039 -1.408 1.00 0.37 N ATOM 1520 CA TYR A 101 -15.662 5.860 -1.858 1.00 0.40 C ATOM 1521 C TYR A 101 -16.378 7.203 -1.834 1.00 0.44 C ATOM 1522 O TYR A 101 -16.508 7.812 -0.776 1.00 0.44 O ATOM 1523 CB TYR A 101 -16.385 4.852 -0.962 1.00 0.41 C ATOM 1524 CG TYR A 101 -17.743 4.434 -1.478 1.00 0.43 C ATOM 1525 CD1 TYR A 101 -17.868 3.692 -2.643 1.00 0.53 C ATOM 1526 CD2 TYR A 101 -18.900 4.794 -0.802 1.00 0.68 C ATOM 1527 CE1 TYR A 101 -19.110 3.319 -3.118 1.00 0.58 C ATOM 1528 CE2 TYR A 101 -20.143 4.423 -1.269 1.00 0.73 C ATOM 1529 CZ TYR A 101 -20.232 3.643 -2.425 1.00 0.56 C ATOM 1530 OH TYR A 101 -21.483 3.314 -2.905 1.00 0.65 O ATOM 0 H TYR A 101 -14.207 6.528 -0.517 1.00 0.37 H new ATOM 0 HA TYR A 101 -15.662 5.472 -2.877 1.00 0.40 H new ATOM 0 HB2 TYR A 101 -15.761 3.965 -0.853 1.00 0.41 H new ATOM 0 HB3 TYR A 101 -16.502 5.284 0.032 1.00 0.41 H new ATOM 0 HD1 TYR A 101 -16.981 3.402 -3.187 1.00 0.53 H new ATOM 0 HD2 TYR A 101 -18.826 5.375 0.106 1.00 0.68 H new ATOM 0 HE1 TYR A 101 -19.189 2.768 -4.043 1.00 0.58 H new ATOM 0 HE2 TYR A 101 -21.037 4.731 -0.748 1.00 0.73 H new ATOM 0 HH TYR A 101 -22.167 3.624 -2.275 1.00 0.65 H new ATOM 1540 N ARG A 102 -16.804 7.674 -3.006 1.00 0.52 N ATOM 1541 CA ARG A 102 -17.483 8.970 -3.139 1.00 0.59 C ATOM 1542 C ARG A 102 -16.535 10.135 -2.850 1.00 0.57 C ATOM 1543 O ARG A 102 -16.980 11.232 -2.514 1.00 0.64 O ATOM 1544 CB ARG A 102 -18.699 9.057 -2.204 1.00 0.65 C ATOM 1545 CG ARG A 102 -19.895 8.232 -2.646 1.00 0.75 C ATOM 1546 CD ARG A 102 -20.369 8.640 -4.033 1.00 0.86 C ATOM 1547 NE ARG A 102 -20.482 10.089 -4.180 1.00 1.26 N ATOM 1548 CZ ARG A 102 -20.776 10.701 -5.324 1.00 1.58 C ATOM 1549 NH1 ARG A 102 -21.005 9.993 -6.425 1.00 1.51 N ATOM 1550 NH2 ARG A 102 -20.841 12.024 -5.367 1.00 2.45 N ATOM 0 H ARG A 102 -16.691 7.174 -3.888 1.00 0.52 H new ATOM 0 HA ARG A 102 -17.821 9.044 -4.173 1.00 0.59 H new ATOM 0 HB2 ARG A 102 -18.399 8.733 -1.207 1.00 0.65 H new ATOM 0 HB3 ARG A 102 -19.004 10.100 -2.122 1.00 0.65 H new ATOM 0 HG2 ARG A 102 -19.629 7.175 -2.647 1.00 0.75 H new ATOM 0 HG3 ARG A 102 -20.708 8.356 -1.931 1.00 0.75 H new ATOM 0 HD2 ARG A 102 -19.674 8.255 -4.779 1.00 0.86 H new ATOM 0 HD3 ARG A 102 -21.337 8.181 -4.233 1.00 0.86 H new ATOM 0 HE ARG A 102 -20.326 10.667 -3.354 1.00 1.26 H new ATOM 0 HH11 ARG A 102 -20.956 8.975 -6.396 1.00 1.51 H new ATOM 0 HH12 ARG A 102 -21.230 10.468 -7.299 1.00 1.51 H new ATOM 0 HH21 ARG A 102 -20.666 12.571 -4.524 1.00 2.45 H new ATOM 0 HH22 ARG A 102 -21.066 12.495 -6.243 1.00 2.45 H new ATOM 1564 N GLY A 103 -15.233 9.913 -3.012 1.00 0.52 N ATOM 1565 CA GLY A 103 -14.265 10.938 -2.662 1.00 0.53 C ATOM 1566 C GLY A 103 -14.063 10.995 -1.165 1.00 0.49 C ATOM 1567 O GLY A 103 -13.552 11.973 -0.618 1.00 0.57 O ATOM 0 H GLY A 103 -14.833 9.048 -3.377 1.00 0.52 H new ATOM 0 HA2 GLY A 103 -13.315 10.731 -3.154 1.00 0.53 H new ATOM 0 HA3 GLY A 103 -14.607 11.907 -3.025 1.00 0.53 H new ATOM 1571 N GLN A 104 -14.497 9.933 -0.509 1.00 0.45 N ATOM 1572 CA GLN A 104 -14.420 9.811 0.932 1.00 0.44 C ATOM 1573 C GLN A 104 -13.715 8.511 1.295 1.00 0.37 C ATOM 1574 O GLN A 104 -14.204 7.425 0.988 1.00 0.37 O ATOM 1575 CB GLN A 104 -15.832 9.817 1.512 1.00 0.51 C ATOM 1576 CG GLN A 104 -16.612 11.094 1.230 1.00 0.66 C ATOM 1577 CD GLN A 104 -18.093 10.836 1.008 1.00 0.89 C ATOM 1578 OE1 GLN A 104 -18.771 11.589 0.309 1.00 1.31 O ATOM 1579 NE2 GLN A 104 -18.604 9.759 1.583 1.00 0.98 N ATOM 0 H GLN A 104 -14.916 9.125 -0.968 1.00 0.45 H new ATOM 0 HA GLN A 104 -13.857 10.648 1.344 1.00 0.44 H new ATOM 0 HB2 GLN A 104 -16.384 8.969 1.106 1.00 0.51 H new ATOM 0 HB3 GLN A 104 -15.771 9.671 2.590 1.00 0.51 H new ATOM 0 HG2 GLN A 104 -16.488 11.783 2.065 1.00 0.66 H new ATOM 0 HG3 GLN A 104 -16.196 11.583 0.349 1.00 0.66 H new ATOM 0 HE21 GLN A 104 -18.012 9.157 2.156 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -19.590 9.531 1.453 1.00 0.98 H new ATOM 1588 N GLU A 105 -12.560 8.615 1.921 1.00 0.36 N ATOM 1589 CA GLU A 105 -11.806 7.433 2.309 1.00 0.32 C ATOM 1590 C GLU A 105 -12.372 6.855 3.595 1.00 0.32 C ATOM 1591 O GLU A 105 -12.551 7.569 4.578 1.00 0.43 O ATOM 1592 CB GLU A 105 -10.333 7.791 2.478 1.00 0.40 C ATOM 1593 CG GLU A 105 -9.720 8.358 1.212 1.00 0.49 C ATOM 1594 CD GLU A 105 -8.495 9.199 1.490 1.00 0.99 C ATOM 1595 OE1 GLU A 105 -8.663 10.378 1.876 1.00 1.28 O ATOM 1596 OE2 GLU A 105 -7.369 8.702 1.306 1.00 1.59 O ATOM 0 H GLU A 105 -12.122 9.501 2.173 1.00 0.36 H new ATOM 0 HA GLU A 105 -11.891 6.678 1.527 1.00 0.32 H new ATOM 0 HB2 GLU A 105 -10.230 8.518 3.284 1.00 0.40 H new ATOM 0 HB3 GLU A 105 -9.779 6.902 2.778 1.00 0.40 H new ATOM 0 HG2 GLU A 105 -9.451 7.540 0.544 1.00 0.49 H new ATOM 0 HG3 GLU A 105 -10.462 8.963 0.692 1.00 0.49 H new ATOM 1603 N PHE A 106 -12.674 5.566 3.576 1.00 0.26 N ATOM 1604 CA PHE A 106 -13.281 4.913 4.729 1.00 0.27 C ATOM 1605 C PHE A 106 -12.303 3.966 5.407 1.00 0.26 C ATOM 1606 O PHE A 106 -12.551 3.497 6.514 1.00 0.29 O ATOM 1607 CB PHE A 106 -14.543 4.155 4.315 1.00 0.27 C ATOM 1608 CG PHE A 106 -14.328 3.172 3.197 1.00 0.26 C ATOM 1609 CD1 PHE A 106 -14.440 3.575 1.876 1.00 0.27 C ATOM 1610 CD2 PHE A 106 -14.022 1.846 3.464 1.00 0.28 C ATOM 1611 CE1 PHE A 106 -14.251 2.679 0.845 1.00 0.29 C ATOM 1612 CE2 PHE A 106 -13.835 0.945 2.434 1.00 0.31 C ATOM 1613 CZ PHE A 106 -13.949 1.365 1.122 1.00 0.31 C ATOM 0 H PHE A 106 -12.510 4.952 2.778 1.00 0.26 H new ATOM 0 HA PHE A 106 -13.553 5.690 5.443 1.00 0.27 H new ATOM 0 HB2 PHE A 106 -14.936 3.623 5.182 1.00 0.27 H new ATOM 0 HB3 PHE A 106 -15.303 4.875 4.011 1.00 0.27 H new ATOM 0 HD1 PHE A 106 -14.678 4.604 1.651 1.00 0.27 H new ATOM 0 HD2 PHE A 106 -13.929 1.515 4.488 1.00 0.28 H new ATOM 0 HE1 PHE A 106 -14.340 3.008 -0.180 1.00 0.29 H new ATOM 0 HE2 PHE A 106 -13.600 -0.086 2.653 1.00 0.31 H new ATOM 0 HZ PHE A 106 -13.801 0.663 0.315 1.00 0.31 H new ATOM 1623 N ILE A 107 -11.215 3.651 4.730 1.00 0.24 N ATOM 1624 CA ILE A 107 -10.170 2.848 5.328 1.00 0.24 C ATOM 1625 C ILE A 107 -8.839 3.135 4.650 1.00 0.22 C ATOM 1626 O ILE A 107 -8.786 3.417 3.450 1.00 0.25 O ATOM 1627 CB ILE A 107 -10.481 1.331 5.288 1.00 0.28 C ATOM 1628 CG1 ILE A 107 -9.464 0.565 6.146 1.00 0.29 C ATOM 1629 CG2 ILE A 107 -10.487 0.810 3.858 1.00 0.30 C ATOM 1630 CD1 ILE A 107 -9.630 -0.940 6.099 1.00 0.37 C ATOM 0 H ILE A 107 -11.034 3.939 3.768 1.00 0.24 H new ATOM 0 HA ILE A 107 -10.113 3.128 6.380 1.00 0.24 H new ATOM 0 HB ILE A 107 -11.478 1.171 5.700 1.00 0.28 H new ATOM 0 HG12 ILE A 107 -8.458 0.820 5.813 1.00 0.29 H new ATOM 0 HG13 ILE A 107 -9.552 0.898 7.180 1.00 0.29 H new ATOM 0 HG21 ILE A 107 -10.708 -0.257 3.861 1.00 0.30 H new ATOM 0 HG22 ILE A 107 -11.248 1.337 3.282 1.00 0.30 H new ATOM 0 HG23 ILE A 107 -9.509 0.977 3.406 1.00 0.30 H new ATOM 0 HD11 ILE A 107 -8.875 -1.409 6.730 1.00 0.37 H new ATOM 0 HD12 ILE A 107 -10.623 -1.208 6.460 1.00 0.37 H new ATOM 0 HD13 ILE A 107 -9.512 -1.287 5.073 1.00 0.37 H new ATOM 1642 N ARG A 108 -7.780 3.088 5.427 1.00 0.23 N ATOM 1643 CA ARG A 108 -6.447 3.303 4.920 1.00 0.24 C ATOM 1644 C ARG A 108 -5.488 2.307 5.554 1.00 0.24 C ATOM 1645 O ARG A 108 -5.335 2.279 6.778 1.00 0.29 O ATOM 1646 CB ARG A 108 -6.014 4.727 5.233 1.00 0.29 C ATOM 1647 CG ARG A 108 -4.579 5.027 4.867 1.00 0.34 C ATOM 1648 CD ARG A 108 -4.109 6.273 5.578 1.00 0.58 C ATOM 1649 NE ARG A 108 -4.277 6.157 7.027 1.00 0.60 N ATOM 1650 CZ ARG A 108 -3.735 7.007 7.898 1.00 0.88 C ATOM 1651 NH1 ARG A 108 -3.104 8.093 7.468 1.00 1.14 N ATOM 1652 NH2 ARG A 108 -3.841 6.793 9.202 1.00 0.95 N ATOM 0 H ARG A 108 -7.821 2.899 6.429 1.00 0.23 H new ATOM 0 HA ARG A 108 -6.437 3.156 3.840 1.00 0.24 H new ATOM 0 HB2 ARG A 108 -6.666 5.420 4.701 1.00 0.29 H new ATOM 0 HB3 ARG A 108 -6.153 4.912 6.298 1.00 0.29 H new ATOM 0 HG2 ARG A 108 -3.943 4.184 5.137 1.00 0.34 H new ATOM 0 HG3 ARG A 108 -4.491 5.160 3.789 1.00 0.34 H new ATOM 0 HD2 ARG A 108 -3.059 6.452 5.345 1.00 0.58 H new ATOM 0 HD3 ARG A 108 -4.668 7.135 5.213 1.00 0.58 H new ATOM 0 HE ARG A 108 -4.838 5.386 7.389 1.00 0.60 H new ATOM 0 HH11 ARG A 108 -3.033 8.279 6.468 1.00 1.14 H new ATOM 0 HH12 ARG A 108 -2.690 8.741 8.138 1.00 1.14 H new ATOM 0 HH21 ARG A 108 -4.340 5.973 9.545 1.00 0.95 H new ATOM 0 HH22 ARG A 108 -3.423 7.449 9.862 1.00 0.95 H new ATOM 1666 N VAL A 109 -4.860 1.491 4.724 1.00 0.22 N ATOM 1667 CA VAL A 109 -3.930 0.475 5.200 1.00 0.22 C ATOM 1668 C VAL A 109 -2.492 0.977 5.131 1.00 0.24 C ATOM 1669 O VAL A 109 -1.934 1.111 4.051 1.00 0.38 O ATOM 1670 CB VAL A 109 -4.046 -0.823 4.373 1.00 0.24 C ATOM 1671 CG1 VAL A 109 -2.963 -1.814 4.772 1.00 0.27 C ATOM 1672 CG2 VAL A 109 -5.428 -1.442 4.535 1.00 0.27 C ATOM 0 H VAL A 109 -4.977 1.511 3.711 1.00 0.22 H new ATOM 0 HA VAL A 109 -4.192 0.263 6.237 1.00 0.22 H new ATOM 0 HB VAL A 109 -3.906 -0.571 3.322 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -3.063 -2.722 4.177 1.00 0.27 H new ATOM 0 HG12 VAL A 109 -1.982 -1.372 4.597 1.00 0.27 H new ATOM 0 HG13 VAL A 109 -3.066 -2.060 5.829 1.00 0.27 H new ATOM 0 HG21 VAL A 109 -5.489 -2.356 3.944 1.00 0.27 H new ATOM 0 HG22 VAL A 109 -5.601 -1.677 5.585 1.00 0.27 H new ATOM 0 HG23 VAL A 109 -6.185 -0.737 4.192 1.00 0.27 H new ATOM 1682 N GLY A 110 -1.906 1.249 6.284 1.00 0.22 N ATOM 1683 CA GLY A 110 -0.537 1.715 6.339 1.00 0.25 C ATOM 1684 C GLY A 110 0.438 0.602 6.664 1.00 0.21 C ATOM 1685 O GLY A 110 0.552 0.181 7.813 1.00 0.27 O ATOM 0 H GLY A 110 -2.359 1.154 7.193 1.00 0.22 H new ATOM 0 HA2 GLY A 110 -0.269 2.161 5.381 1.00 0.25 H new ATOM 0 HA3 GLY A 110 -0.453 2.500 7.091 1.00 0.25 H new ATOM 1689 N TYR A 111 1.125 0.114 5.649 1.00 0.23 N ATOM 1690 CA TYR A 111 2.134 -0.915 5.829 1.00 0.24 C ATOM 1691 C TYR A 111 3.523 -0.302 5.841 1.00 0.23 C ATOM 1692 O TYR A 111 3.895 0.439 4.935 1.00 0.27 O ATOM 1693 CB TYR A 111 2.028 -1.976 4.732 1.00 0.32 C ATOM 1694 CG TYR A 111 1.071 -3.088 5.078 1.00 0.27 C ATOM 1695 CD1 TYR A 111 1.170 -3.751 6.292 1.00 0.29 C ATOM 1696 CD2 TYR A 111 0.070 -3.471 4.201 1.00 0.30 C ATOM 1697 CE1 TYR A 111 0.299 -4.764 6.624 1.00 0.32 C ATOM 1698 CE2 TYR A 111 -0.809 -4.487 4.524 1.00 0.32 C ATOM 1699 CZ TYR A 111 -0.688 -5.132 5.739 1.00 0.33 C ATOM 1700 OH TYR A 111 -1.555 -6.147 6.072 1.00 0.40 O ATOM 0 H TYR A 111 1.002 0.416 4.683 1.00 0.23 H new ATOM 0 HA TYR A 111 1.960 -1.398 6.790 1.00 0.24 H new ATOM 0 HB2 TYR A 111 1.705 -1.501 3.805 1.00 0.32 H new ATOM 0 HB3 TYR A 111 3.015 -2.399 4.546 1.00 0.32 H new ATOM 0 HD1 TYR A 111 1.944 -3.468 6.989 1.00 0.29 H new ATOM 0 HD2 TYR A 111 -0.025 -2.968 3.250 1.00 0.30 H new ATOM 0 HE1 TYR A 111 0.390 -5.268 7.575 1.00 0.32 H new ATOM 0 HE2 TYR A 111 -1.586 -4.775 3.831 1.00 0.32 H new ATOM 0 HH TYR A 111 -1.673 -6.170 7.045 1.00 0.40 H new ATOM 1710 N TYR A 112 4.279 -0.603 6.877 1.00 0.25 N ATOM 1711 CA TYR A 112 5.609 -0.046 7.025 1.00 0.25 C ATOM 1712 C TYR A 112 6.625 -0.842 6.228 1.00 0.27 C ATOM 1713 O TYR A 112 6.932 -1.986 6.546 1.00 0.33 O ATOM 1714 CB TYR A 112 6.010 0.005 8.496 1.00 0.29 C ATOM 1715 CG TYR A 112 5.248 1.040 9.292 1.00 0.37 C ATOM 1716 CD1 TYR A 112 3.916 0.840 9.622 1.00 0.50 C ATOM 1717 CD2 TYR A 112 5.864 2.211 9.723 1.00 0.48 C ATOM 1718 CE1 TYR A 112 3.216 1.776 10.356 1.00 0.62 C ATOM 1719 CE2 TYR A 112 5.171 3.151 10.459 1.00 0.60 C ATOM 1720 CZ TYR A 112 3.851 2.958 10.734 1.00 0.64 C ATOM 1721 OH TYR A 112 3.151 3.859 11.501 1.00 0.78 O ATOM 0 H TYR A 112 3.995 -1.230 7.630 1.00 0.25 H new ATOM 0 HA TYR A 112 5.591 0.971 6.634 1.00 0.25 H new ATOM 0 HB2 TYR A 112 5.849 -0.976 8.943 1.00 0.29 H new ATOM 0 HB3 TYR A 112 7.077 0.217 8.567 1.00 0.29 H new ATOM 0 HD1 TYR A 112 3.418 -0.063 9.299 1.00 0.50 H new ATOM 0 HD2 TYR A 112 6.901 2.387 9.478 1.00 0.48 H new ATOM 0 HE1 TYR A 112 2.188 1.595 10.634 1.00 0.62 H new ATOM 0 HE2 TYR A 112 5.674 4.037 10.816 1.00 0.60 H new ATOM 0 HH TYR A 112 3.717 4.636 11.691 1.00 0.78 H new ATOM 1731 N VAL A 113 7.140 -0.220 5.190 1.00 0.27 N ATOM 1732 CA VAL A 113 8.165 -0.819 4.367 1.00 0.31 C ATOM 1733 C VAL A 113 9.534 -0.506 4.937 1.00 0.28 C ATOM 1734 O VAL A 113 9.949 0.650 4.990 1.00 0.31 O ATOM 1735 CB VAL A 113 8.117 -0.300 2.919 1.00 0.42 C ATOM 1736 CG1 VAL A 113 9.250 -0.909 2.110 1.00 0.96 C ATOM 1737 CG2 VAL A 113 6.773 -0.595 2.280 1.00 1.19 C ATOM 0 H VAL A 113 6.859 0.715 4.894 1.00 0.27 H new ATOM 0 HA VAL A 113 7.983 -1.894 4.361 1.00 0.31 H new ATOM 0 HB VAL A 113 8.244 0.783 2.934 1.00 0.42 H new ATOM 0 HG11 VAL A 113 9.208 -0.536 1.087 1.00 0.96 H new ATOM 0 HG12 VAL A 113 10.205 -0.634 2.557 1.00 0.96 H new ATOM 0 HG13 VAL A 113 9.151 -1.994 2.105 1.00 0.96 H new ATOM 0 HG21 VAL A 113 6.766 -0.218 1.257 1.00 1.19 H new ATOM 0 HG22 VAL A 113 6.603 -1.672 2.271 1.00 1.19 H new ATOM 0 HG23 VAL A 113 5.983 -0.108 2.852 1.00 1.19 H new ATOM 1747 N ASN A 114 10.224 -1.529 5.376 1.00 0.29 N ATOM 1748 CA ASN A 114 11.573 -1.358 5.854 1.00 0.32 C ATOM 1749 C ASN A 114 12.540 -1.826 4.787 1.00 0.32 C ATOM 1750 O ASN A 114 12.570 -3.009 4.440 1.00 0.35 O ATOM 1751 CB ASN A 114 11.787 -2.136 7.146 1.00 0.42 C ATOM 1752 CG ASN A 114 13.028 -1.680 7.885 1.00 0.84 C ATOM 1753 OD1 ASN A 114 14.128 -2.183 7.657 1.00 1.63 O ATOM 1754 ND2 ASN A 114 12.858 -0.722 8.783 1.00 1.28 N ATOM 0 H ASN A 114 9.875 -2.487 5.412 1.00 0.29 H new ATOM 0 HA ASN A 114 11.749 -0.303 6.065 1.00 0.32 H new ATOM 0 HB2 ASN A 114 10.916 -2.015 7.790 1.00 0.42 H new ATOM 0 HB3 ASN A 114 11.870 -3.199 6.919 1.00 0.42 H new ATOM 0 HD21 ASN A 114 13.656 -0.375 9.315 1.00 1.28 H new ATOM 0 HD22 ASN A 114 11.929 -0.331 8.942 1.00 1.28 H new ATOM 1761 N ASN A 115 13.312 -0.905 4.246 1.00 0.34 N ATOM 1762 CA ASN A 115 14.207 -1.237 3.162 1.00 0.39 C ATOM 1763 C ASN A 115 15.612 -1.437 3.693 1.00 0.43 C ATOM 1764 O ASN A 115 16.206 -0.534 4.286 1.00 0.50 O ATOM 1765 CB ASN A 115 14.202 -0.159 2.077 1.00 0.48 C ATOM 1766 CG ASN A 115 12.810 0.189 1.584 1.00 0.50 C ATOM 1767 OD1 ASN A 115 12.273 -0.462 0.686 1.00 0.95 O ATOM 1768 ND2 ASN A 115 12.227 1.238 2.148 1.00 0.60 N ATOM 0 H ASN A 115 13.336 0.072 4.538 1.00 0.34 H new ATOM 0 HA ASN A 115 13.855 -2.164 2.710 1.00 0.39 H new ATOM 0 HB2 ASN A 115 14.678 0.741 2.467 1.00 0.48 H new ATOM 0 HB3 ASN A 115 14.804 -0.499 1.234 1.00 0.48 H new ATOM 0 HD21 ASN A 115 11.300 1.533 1.841 1.00 0.60 H new ATOM 0 HD22 ASN A 115 12.706 1.750 2.889 1.00 0.60 H new ATOM 1775 N GLU A 116 16.121 -2.632 3.503 1.00 0.42 N ATOM 1776 CA GLU A 116 17.467 -2.971 3.918 1.00 0.50 C ATOM 1777 C GLU A 116 18.112 -3.830 2.847 1.00 0.45 C ATOM 1778 O GLU A 116 17.439 -4.641 2.217 1.00 0.54 O ATOM 1779 CB GLU A 116 17.459 -3.701 5.270 1.00 0.69 C ATOM 1780 CG GLU A 116 16.637 -4.984 5.280 1.00 1.26 C ATOM 1781 CD GLU A 116 16.708 -5.709 6.610 1.00 1.58 C ATOM 1782 OE1 GLU A 116 17.787 -6.235 6.948 1.00 1.97 O ATOM 1783 OE2 GLU A 116 15.681 -5.771 7.320 1.00 1.87 O ATOM 0 H GLU A 116 15.616 -3.398 3.057 1.00 0.42 H new ATOM 0 HA GLU A 116 18.044 -2.055 4.046 1.00 0.50 H new ATOM 0 HB2 GLU A 116 18.486 -3.938 5.549 1.00 0.69 H new ATOM 0 HB3 GLU A 116 17.069 -3.027 6.032 1.00 0.69 H new ATOM 0 HG2 GLU A 116 15.597 -4.747 5.054 1.00 1.26 H new ATOM 0 HG3 GLU A 116 16.992 -5.645 4.490 1.00 1.26 H new ATOM 1790 N TYR A 117 19.398 -3.625 2.614 1.00 0.46 N ATOM 1791 CA TYR A 117 20.120 -4.395 1.621 1.00 0.46 C ATOM 1792 C TYR A 117 20.098 -5.875 1.965 1.00 0.52 C ATOM 1793 O TYR A 117 19.865 -6.257 3.111 1.00 0.60 O ATOM 1794 CB TYR A 117 21.563 -3.919 1.523 1.00 0.48 C ATOM 1795 CG TYR A 117 21.700 -2.452 1.195 1.00 0.48 C ATOM 1796 CD1 TYR A 117 21.678 -2.014 -0.120 1.00 0.55 C ATOM 1797 CD2 TYR A 117 21.834 -1.506 2.201 1.00 0.54 C ATOM 1798 CE1 TYR A 117 21.793 -0.675 -0.427 1.00 0.61 C ATOM 1799 CE2 TYR A 117 21.947 -0.165 1.904 1.00 0.59 C ATOM 1800 CZ TYR A 117 21.977 0.242 0.598 1.00 0.60 C ATOM 1801 OH TYR A 117 22.038 1.579 0.290 1.00 0.69 O ATOM 0 H TYR A 117 19.962 -2.929 3.102 1.00 0.46 H new ATOM 0 HA TYR A 117 19.627 -4.248 0.660 1.00 0.46 H new ATOM 0 HB2 TYR A 117 22.067 -4.119 2.469 1.00 0.48 H new ATOM 0 HB3 TYR A 117 22.077 -4.502 0.759 1.00 0.48 H new ATOM 0 HD1 TYR A 117 21.569 -2.734 -0.918 1.00 0.55 H new ATOM 0 HD2 TYR A 117 21.850 -1.825 3.233 1.00 0.54 H new ATOM 0 HE1 TYR A 117 21.740 -0.344 -1.454 1.00 0.61 H new ATOM 0 HE2 TYR A 117 22.012 0.562 2.700 1.00 0.59 H new ATOM 0 HH TYR A 117 22.291 2.087 1.089 1.00 0.69 H new ATOM 1811 N THR A 118 20.356 -6.697 0.971 1.00 0.54 N ATOM 1812 CA THR A 118 20.346 -8.132 1.151 1.00 0.65 C ATOM 1813 C THR A 118 21.700 -8.612 1.639 1.00 0.74 C ATOM 1814 O THR A 118 21.792 -9.486 2.498 1.00 0.84 O ATOM 1815 CB THR A 118 19.987 -8.845 -0.165 1.00 0.67 C ATOM 1816 OG1 THR A 118 20.611 -8.168 -1.268 1.00 0.66 O ATOM 1817 CG2 THR A 118 18.482 -8.887 -0.373 1.00 0.77 C ATOM 0 H THR A 118 20.577 -6.393 0.023 1.00 0.54 H new ATOM 0 HA THR A 118 19.590 -8.373 1.898 1.00 0.65 H new ATOM 0 HB THR A 118 20.352 -9.871 -0.109 1.00 0.67 H new ATOM 0 HG1 THR A 118 20.382 -8.625 -2.104 1.00 0.66 H new ATOM 0 HG21 THR A 118 18.258 -9.396 -1.310 1.00 0.77 H new ATOM 0 HG22 THR A 118 18.015 -9.425 0.452 1.00 0.77 H new ATOM 0 HG23 THR A 118 18.091 -7.870 -0.411 1.00 0.77 H new ATOM 1825 N GLU A 119 22.746 -8.006 1.105 1.00 0.78 N ATOM 1826 CA GLU A 119 24.098 -8.415 1.407 1.00 0.92 C ATOM 1827 C GLU A 119 24.530 -7.908 2.778 1.00 0.95 C ATOM 1828 O GLU A 119 24.253 -6.762 3.142 1.00 0.90 O ATOM 1829 CB GLU A 119 25.040 -7.892 0.332 1.00 1.00 C ATOM 1830 CG GLU A 119 26.338 -8.653 0.276 1.00 1.29 C ATOM 1831 CD GLU A 119 27.271 -8.147 -0.797 1.00 1.50 C ATOM 1832 OE1 GLU A 119 27.045 -8.460 -1.983 1.00 1.67 O ATOM 1833 OE2 GLU A 119 28.244 -7.448 -0.458 1.00 2.24 O ATOM 0 H GLU A 119 22.679 -7.223 0.455 1.00 0.78 H new ATOM 0 HA GLU A 119 24.136 -9.504 1.425 1.00 0.92 H new ATOM 0 HB2 GLU A 119 24.546 -7.952 -0.638 1.00 1.00 H new ATOM 0 HB3 GLU A 119 25.249 -6.839 0.519 1.00 1.00 H new ATOM 0 HG2 GLU A 119 26.835 -8.585 1.244 1.00 1.29 H new ATOM 0 HG3 GLU A 119 26.127 -9.708 0.099 1.00 1.29 H new ATOM 1840 N THR A 120 25.212 -8.767 3.530 1.00 1.07 N ATOM 1841 CA THR A 120 25.709 -8.418 4.854 1.00 1.14 C ATOM 1842 C THR A 120 26.597 -7.174 4.799 1.00 1.12 C ATOM 1843 O THR A 120 26.471 -6.277 5.631 1.00 1.13 O ATOM 1844 CB THR A 120 26.504 -9.590 5.458 1.00 1.31 C ATOM 1845 OG1 THR A 120 25.745 -10.801 5.335 1.00 1.36 O ATOM 1846 CG2 THR A 120 26.826 -9.337 6.924 1.00 1.41 C ATOM 0 H THR A 120 25.434 -9.719 3.239 1.00 1.07 H new ATOM 0 HA THR A 120 24.846 -8.204 5.485 1.00 1.14 H new ATOM 0 HB THR A 120 27.443 -9.684 4.912 1.00 1.31 H new ATOM 0 HG1 THR A 120 26.253 -11.546 5.718 1.00 1.36 H new ATOM 0 HG21 THR A 120 27.388 -10.181 7.324 1.00 1.41 H new ATOM 0 HG22 THR A 120 27.422 -8.429 7.014 1.00 1.41 H new ATOM 0 HG23 THR A 120 25.899 -9.220 7.485 1.00 1.41 H new ATOM 1854 N GLU A 121 27.472 -7.119 3.796 1.00 1.13 N ATOM 1855 CA GLU A 121 28.365 -5.979 3.608 1.00 1.14 C ATOM 1856 C GLU A 121 27.571 -4.680 3.492 1.00 1.03 C ATOM 1857 O GLU A 121 27.871 -3.693 4.161 1.00 1.09 O ATOM 1858 CB GLU A 121 29.217 -6.184 2.352 1.00 1.18 C ATOM 1859 CG GLU A 121 30.108 -5.003 1.997 1.00 1.27 C ATOM 1860 CD GLU A 121 31.238 -4.791 2.987 1.00 1.56 C ATOM 1861 OE1 GLU A 121 30.959 -4.636 4.193 1.00 2.05 O ATOM 1862 OE2 GLU A 121 32.412 -4.781 2.573 1.00 2.21 O ATOM 0 H GLU A 121 27.581 -7.855 3.098 1.00 1.13 H new ATOM 0 HA GLU A 121 29.017 -5.907 4.478 1.00 1.14 H new ATOM 0 HB2 GLU A 121 29.842 -7.066 2.492 1.00 1.18 H new ATOM 0 HB3 GLU A 121 28.557 -6.391 1.510 1.00 1.18 H new ATOM 0 HG2 GLU A 121 30.528 -5.158 1.003 1.00 1.27 H new ATOM 0 HG3 GLU A 121 29.501 -4.099 1.949 1.00 1.27 H new ATOM 1869 N LEU A 122 26.531 -4.702 2.672 1.00 0.90 N ATOM 1870 CA LEU A 122 25.749 -3.507 2.408 1.00 0.82 C ATOM 1871 C LEU A 122 24.921 -3.116 3.631 1.00 0.82 C ATOM 1872 O LEU A 122 24.557 -1.956 3.801 1.00 0.83 O ATOM 1873 CB LEU A 122 24.849 -3.741 1.199 1.00 0.75 C ATOM 1874 CG LEU A 122 25.581 -4.090 -0.099 1.00 0.82 C ATOM 1875 CD1 LEU A 122 24.590 -4.516 -1.168 1.00 0.88 C ATOM 1876 CD2 LEU A 122 26.403 -2.906 -0.584 1.00 0.87 C ATOM 0 H LEU A 122 26.210 -5.535 2.179 1.00 0.90 H new ATOM 0 HA LEU A 122 26.428 -2.683 2.191 1.00 0.82 H new ATOM 0 HB2 LEU A 122 24.154 -4.547 1.434 1.00 0.75 H new ATOM 0 HB3 LEU A 122 24.252 -2.845 1.031 1.00 0.75 H new ATOM 0 HG LEU A 122 26.257 -4.921 0.101 1.00 0.82 H new ATOM 0 HD11 LEU A 122 25.127 -4.761 -2.085 1.00 0.88 H new ATOM 0 HD12 LEU A 122 24.039 -5.392 -0.825 1.00 0.88 H new ATOM 0 HD13 LEU A 122 23.892 -3.702 -1.362 1.00 0.88 H new ATOM 0 HD21 LEU A 122 26.916 -3.173 -1.508 1.00 0.87 H new ATOM 0 HD22 LEU A 122 25.745 -2.057 -0.767 1.00 0.87 H new ATOM 0 HD23 LEU A 122 27.138 -2.638 0.175 1.00 0.87 H new ATOM 1888 N ARG A 123 24.632 -4.097 4.477 1.00 0.86 N ATOM 1889 CA ARG A 123 23.920 -3.856 5.728 1.00 0.94 C ATOM 1890 C ARG A 123 24.841 -3.227 6.762 1.00 1.11 C ATOM 1891 O ARG A 123 24.448 -2.309 7.484 1.00 1.19 O ATOM 1892 CB ARG A 123 23.356 -5.164 6.278 1.00 0.98 C ATOM 1893 CG ARG A 123 22.128 -5.660 5.543 1.00 0.89 C ATOM 1894 CD ARG A 123 21.726 -7.050 6.013 1.00 1.00 C ATOM 1895 NE ARG A 123 20.290 -7.284 5.864 1.00 1.20 N ATOM 1896 CZ ARG A 123 19.736 -8.477 5.650 1.00 1.56 C ATOM 1897 NH1 ARG A 123 20.496 -9.560 5.537 1.00 1.82 N ATOM 1898 NH2 ARG A 123 18.416 -8.578 5.559 1.00 2.03 N ATOM 0 H ARG A 123 24.881 -5.073 4.319 1.00 0.86 H new ATOM 0 HA ARG A 123 23.101 -3.168 5.521 1.00 0.94 H new ATOM 0 HB2 ARG A 123 24.130 -5.930 6.231 1.00 0.98 H new ATOM 0 HB3 ARG A 123 23.107 -5.027 7.330 1.00 0.98 H new ATOM 0 HG2 ARG A 123 21.302 -4.967 5.702 1.00 0.89 H new ATOM 0 HG3 ARG A 123 22.326 -5.679 4.471 1.00 0.89 H new ATOM 0 HD2 ARG A 123 22.276 -7.799 5.443 1.00 1.00 H new ATOM 0 HD3 ARG A 123 22.007 -7.175 7.059 1.00 1.00 H new ATOM 0 HE ARG A 123 19.669 -6.477 5.928 1.00 1.20 H new ATOM 0 HH11 ARG A 123 21.510 -9.482 5.614 1.00 1.82 H new ATOM 0 HH12 ARG A 123 20.066 -10.470 5.373 1.00 1.82 H new ATOM 0 HH21 ARG A 123 17.833 -7.746 5.653 1.00 2.03 H new ATOM 0 HH22 ARG A 123 17.984 -9.487 5.395 1.00 2.03 H new ATOM 1912 N GLU A 124 26.066 -3.726 6.822 1.00 1.20 N ATOM 1913 CA GLU A 124 27.044 -3.251 7.785 1.00 1.39 C ATOM 1914 C GLU A 124 27.462 -1.820 7.482 1.00 1.37 C ATOM 1915 O GLU A 124 27.760 -1.047 8.391 1.00 1.49 O ATOM 1916 CB GLU A 124 28.268 -4.163 7.794 1.00 1.53 C ATOM 1917 CG GLU A 124 28.027 -5.494 8.486 1.00 1.66 C ATOM 1918 CD GLU A 124 27.659 -5.321 9.944 1.00 2.03 C ATOM 1919 OE1 GLU A 124 28.562 -5.054 10.765 1.00 2.06 O ATOM 1920 OE2 GLU A 124 26.465 -5.462 10.277 1.00 2.84 O ATOM 0 H GLU A 124 26.407 -4.466 6.209 1.00 1.20 H new ATOM 0 HA GLU A 124 26.580 -3.270 8.771 1.00 1.39 H new ATOM 0 HB2 GLU A 124 28.581 -4.348 6.766 1.00 1.53 H new ATOM 0 HB3 GLU A 124 29.091 -3.648 8.290 1.00 1.53 H new ATOM 0 HG2 GLU A 124 27.228 -6.029 7.972 1.00 1.66 H new ATOM 0 HG3 GLU A 124 28.924 -6.109 8.410 1.00 1.66 H new ATOM 1927 N ASN A 125 27.472 -1.462 6.210 1.00 1.27 N ATOM 1928 CA ASN A 125 27.873 -0.120 5.820 1.00 1.30 C ATOM 1929 C ASN A 125 27.027 0.395 4.668 1.00 1.14 C ATOM 1930 O ASN A 125 27.410 0.288 3.503 1.00 1.10 O ATOM 1931 CB ASN A 125 29.372 -0.054 5.480 1.00 1.45 C ATOM 1932 CG ASN A 125 29.852 -1.216 4.625 1.00 1.58 C ATOM 1933 OD1 ASN A 125 29.866 -1.146 3.394 1.00 2.19 O ATOM 1934 ND2 ASN A 125 30.268 -2.287 5.280 1.00 1.62 N ATOM 0 H ASN A 125 27.210 -2.073 5.437 1.00 1.27 H new ATOM 0 HA ASN A 125 27.702 0.532 6.677 1.00 1.30 H new ATOM 0 HB2 ASN A 125 29.577 0.880 4.957 1.00 1.45 H new ATOM 0 HB3 ASN A 125 29.946 -0.034 6.406 1.00 1.45 H new ATOM 0 HD21 ASN A 125 30.617 -3.096 4.766 1.00 1.62 H new ATOM 0 HD22 ASN A 125 30.240 -2.304 6.299 1.00 1.62 H new ATOM 1941 N PRO A 126 25.833 0.924 4.991 1.00 1.13 N ATOM 1942 CA PRO A 126 24.971 1.590 4.018 1.00 1.06 C ATOM 1943 C PRO A 126 25.727 2.644 3.222 1.00 1.09 C ATOM 1944 O PRO A 126 26.231 3.620 3.787 1.00 1.19 O ATOM 1945 CB PRO A 126 23.899 2.253 4.882 1.00 1.15 C ATOM 1946 CG PRO A 126 23.825 1.408 6.106 1.00 1.23 C ATOM 1947 CD PRO A 126 25.218 0.883 6.332 1.00 1.24 C ATOM 0 HA PRO A 126 24.570 0.893 3.282 1.00 1.06 H new ATOM 0 HB2 PRO A 126 24.167 3.281 5.126 1.00 1.15 H new ATOM 0 HB3 PRO A 126 22.940 2.287 4.366 1.00 1.15 H new ATOM 0 HG2 PRO A 126 23.484 1.990 6.962 1.00 1.23 H new ATOM 0 HG3 PRO A 126 23.116 0.590 5.974 1.00 1.23 H new ATOM 0 HD2 PRO A 126 25.767 1.500 7.043 1.00 1.24 H new ATOM 0 HD3 PRO A 126 25.203 -0.130 6.734 1.00 1.24 H new ATOM 1955 N PRO A 127 25.848 2.439 1.908 1.00 1.05 N ATOM 1956 CA PRO A 127 26.501 3.395 1.017 1.00 1.13 C ATOM 1957 C PRO A 127 25.758 4.729 0.993 1.00 1.19 C ATOM 1958 O PRO A 127 24.534 4.762 1.134 1.00 1.14 O ATOM 1959 CB PRO A 127 26.445 2.707 -0.355 1.00 1.11 C ATOM 1960 CG PRO A 127 26.219 1.264 -0.048 1.00 1.01 C ATOM 1961 CD PRO A 127 25.372 1.253 1.184 1.00 0.97 C ATOM 0 HA PRO A 127 27.517 3.635 1.330 1.00 1.13 H new ATOM 0 HB2 PRO A 127 25.640 3.112 -0.968 1.00 1.11 H new ATOM 0 HB3 PRO A 127 27.372 2.853 -0.909 1.00 1.11 H new ATOM 0 HG2 PRO A 127 25.718 0.759 -0.874 1.00 1.01 H new ATOM 0 HG3 PRO A 127 27.163 0.744 0.118 1.00 1.01 H new ATOM 0 HD2 PRO A 127 24.310 1.321 0.947 1.00 0.97 H new ATOM 0 HD3 PRO A 127 25.511 0.341 1.764 1.00 0.97 H new ATOM 1969 N VAL A 128 26.502 5.821 0.832 1.00 1.34 N ATOM 1970 CA VAL A 128 25.914 7.158 0.836 1.00 1.44 C ATOM 1971 C VAL A 128 24.878 7.294 -0.282 1.00 1.22 C ATOM 1972 O VAL A 128 23.878 8.004 -0.143 1.00 1.28 O ATOM 1973 CB VAL A 128 26.996 8.263 0.719 1.00 1.71 C ATOM 1974 CG1 VAL A 128 27.879 8.048 -0.500 1.00 1.92 C ATOM 1975 CG2 VAL A 128 26.360 9.648 0.682 1.00 2.16 C ATOM 0 H VAL A 128 27.513 5.806 0.697 1.00 1.34 H new ATOM 0 HA VAL A 128 25.413 7.293 1.794 1.00 1.44 H new ATOM 0 HB VAL A 128 27.627 8.198 1.606 1.00 1.71 H new ATOM 0 HG11 VAL A 128 28.626 8.840 -0.552 1.00 1.92 H new ATOM 0 HG12 VAL A 128 28.378 7.082 -0.422 1.00 1.92 H new ATOM 0 HG13 VAL A 128 27.266 8.068 -1.401 1.00 1.92 H new ATOM 0 HG21 VAL A 128 27.140 10.405 0.600 1.00 2.16 H new ATOM 0 HG22 VAL A 128 25.693 9.719 -0.177 1.00 2.16 H new ATOM 0 HG23 VAL A 128 25.791 9.812 1.597 1.00 2.16 H new ATOM 1985 N LYS A 129 25.115 6.605 -1.385 1.00 1.07 N ATOM 1986 CA LYS A 129 24.124 6.504 -2.438 1.00 0.88 C ATOM 1987 C LYS A 129 23.603 5.074 -2.494 1.00 0.76 C ATOM 1988 O LYS A 129 24.282 4.177 -2.994 1.00 0.80 O ATOM 1989 CB LYS A 129 24.685 6.942 -3.799 1.00 1.00 C ATOM 1990 CG LYS A 129 24.796 8.455 -3.963 1.00 1.12 C ATOM 1991 CD LYS A 129 25.931 9.036 -3.143 1.00 1.29 C ATOM 1992 CE LYS A 129 25.864 10.552 -3.078 1.00 1.46 C ATOM 1993 NZ LYS A 129 26.041 11.186 -4.410 1.00 1.96 N ATOM 0 H LYS A 129 25.986 6.108 -1.573 1.00 1.07 H new ATOM 0 HA LYS A 129 23.302 7.183 -2.210 1.00 0.88 H new ATOM 0 HB2 LYS A 129 25.671 6.498 -3.934 1.00 1.00 H new ATOM 0 HB3 LYS A 129 24.046 6.546 -4.589 1.00 1.00 H new ATOM 0 HG2 LYS A 129 24.950 8.695 -5.015 1.00 1.12 H new ATOM 0 HG3 LYS A 129 23.857 8.921 -3.664 1.00 1.12 H new ATOM 0 HD2 LYS A 129 25.896 8.627 -2.133 1.00 1.29 H new ATOM 0 HD3 LYS A 129 26.884 8.733 -3.576 1.00 1.29 H new ATOM 0 HE2 LYS A 129 24.903 10.853 -2.661 1.00 1.46 H new ATOM 0 HE3 LYS A 129 26.635 10.918 -2.399 1.00 1.46 H new ATOM 0 HZ1 LYS A 129 25.987 12.220 -4.312 1.00 1.96 H new ATOM 0 HZ2 LYS A 129 26.969 10.923 -4.799 1.00 1.96 H new ATOM 0 HZ3 LYS A 129 25.291 10.860 -5.052 1.00 1.96 H new ATOM 2007 N PRO A 130 22.405 4.850 -1.928 1.00 0.66 N ATOM 2008 CA PRO A 130 21.778 3.527 -1.836 1.00 0.57 C ATOM 2009 C PRO A 130 21.619 2.824 -3.177 1.00 0.52 C ATOM 2010 O PRO A 130 21.770 3.425 -4.245 1.00 0.64 O ATOM 2011 CB PRO A 130 20.396 3.810 -1.237 1.00 0.55 C ATOM 2012 CG PRO A 130 20.199 5.276 -1.386 1.00 0.64 C ATOM 2013 CD PRO A 130 21.567 5.876 -1.301 1.00 0.71 C ATOM 0 HA PRO A 130 22.399 2.856 -1.243 1.00 0.57 H new ATOM 0 HB2 PRO A 130 19.619 3.253 -1.760 1.00 0.55 H new ATOM 0 HB3 PRO A 130 20.352 3.511 -0.190 1.00 0.55 H new ATOM 0 HG2 PRO A 130 19.725 5.513 -2.339 1.00 0.64 H new ATOM 0 HG3 PRO A 130 19.550 5.666 -0.602 1.00 0.64 H new ATOM 0 HD2 PRO A 130 21.626 6.827 -1.830 1.00 0.71 H new ATOM 0 HD3 PRO A 130 21.863 6.066 -0.269 1.00 0.71 H new ATOM 2021 N ASP A 131 21.282 1.549 -3.105 1.00 0.45 N ATOM 2022 CA ASP A 131 21.127 0.729 -4.296 1.00 0.45 C ATOM 2023 C ASP A 131 19.769 0.052 -4.265 1.00 0.39 C ATOM 2024 O ASP A 131 19.494 -0.769 -3.385 1.00 0.39 O ATOM 2025 CB ASP A 131 22.240 -0.319 -4.382 1.00 0.53 C ATOM 2026 CG ASP A 131 22.310 -1.000 -5.738 1.00 0.82 C ATOM 2027 OD1 ASP A 131 21.308 -1.610 -6.163 1.00 1.28 O ATOM 2028 OD2 ASP A 131 23.378 -0.933 -6.384 1.00 1.06 O ATOM 0 H ASP A 131 21.109 1.055 -2.229 1.00 0.45 H new ATOM 0 HA ASP A 131 21.196 1.367 -5.177 1.00 0.45 H new ATOM 0 HB2 ASP A 131 23.197 0.158 -4.171 1.00 0.53 H new ATOM 0 HB3 ASP A 131 22.082 -1.073 -3.611 1.00 0.53 H new ATOM 2033 N PHE A 132 18.926 0.403 -5.220 1.00 0.38 N ATOM 2034 CA PHE A 132 17.553 -0.080 -5.248 1.00 0.35 C ATOM 2035 C PHE A 132 17.482 -1.524 -5.744 1.00 0.37 C ATOM 2036 O PHE A 132 16.491 -2.220 -5.528 1.00 0.38 O ATOM 2037 CB PHE A 132 16.692 0.832 -6.129 1.00 0.38 C ATOM 2038 CG PHE A 132 16.518 2.226 -5.581 1.00 0.38 C ATOM 2039 CD1 PHE A 132 17.549 3.147 -5.654 1.00 0.46 C ATOM 2040 CD2 PHE A 132 15.323 2.614 -4.995 1.00 0.35 C ATOM 2041 CE1 PHE A 132 17.397 4.423 -5.152 1.00 0.50 C ATOM 2042 CE2 PHE A 132 15.164 3.890 -4.490 1.00 0.40 C ATOM 2043 CZ PHE A 132 16.203 4.796 -4.570 1.00 0.46 C ATOM 0 H PHE A 132 19.168 1.024 -5.992 1.00 0.38 H new ATOM 0 HA PHE A 132 17.165 -0.059 -4.229 1.00 0.35 H new ATOM 0 HB2 PHE A 132 17.143 0.895 -7.119 1.00 0.38 H new ATOM 0 HB3 PHE A 132 15.710 0.377 -6.255 1.00 0.38 H new ATOM 0 HD1 PHE A 132 18.486 2.863 -6.110 1.00 0.46 H new ATOM 0 HD2 PHE A 132 14.506 1.910 -4.933 1.00 0.35 H new ATOM 0 HE1 PHE A 132 18.212 5.129 -5.215 1.00 0.50 H new ATOM 0 HE2 PHE A 132 14.229 4.178 -4.033 1.00 0.40 H new ATOM 0 HZ PHE A 132 16.081 5.795 -4.178 1.00 0.46 H new ATOM 2053 N SER A 133 18.543 -1.974 -6.398 1.00 0.42 N ATOM 2054 CA SER A 133 18.604 -3.332 -6.923 1.00 0.47 C ATOM 2055 C SER A 133 19.225 -4.281 -5.898 1.00 0.48 C ATOM 2056 O SER A 133 19.259 -5.496 -6.098 1.00 0.62 O ATOM 2057 CB SER A 133 19.405 -3.355 -8.229 1.00 0.54 C ATOM 2058 OG SER A 133 19.365 -4.635 -8.841 1.00 1.46 O ATOM 0 H SER A 133 19.378 -1.416 -6.579 1.00 0.42 H new ATOM 0 HA SER A 133 17.588 -3.671 -7.127 1.00 0.47 H new ATOM 0 HB2 SER A 133 19.005 -2.609 -8.916 1.00 0.54 H new ATOM 0 HB3 SER A 133 20.440 -3.079 -8.027 1.00 0.54 H new ATOM 0 HG SER A 133 19.255 -5.324 -8.152 1.00 1.46 H new ATOM 2064 N LYS A 134 19.703 -3.723 -4.794 1.00 0.40 N ATOM 2065 CA LYS A 134 20.301 -4.518 -3.729 1.00 0.43 C ATOM 2066 C LYS A 134 19.403 -4.482 -2.516 1.00 0.39 C ATOM 2067 O LYS A 134 19.721 -5.039 -1.462 1.00 0.46 O ATOM 2068 CB LYS A 134 21.680 -3.976 -3.346 1.00 0.48 C ATOM 2069 CG LYS A 134 22.744 -4.165 -4.418 1.00 0.65 C ATOM 2070 CD LYS A 134 22.939 -5.630 -4.770 1.00 0.78 C ATOM 2071 CE LYS A 134 24.099 -5.821 -5.737 1.00 1.00 C ATOM 2072 NZ LYS A 134 23.860 -5.171 -7.055 1.00 1.87 N ATOM 0 H LYS A 134 19.688 -2.719 -4.612 1.00 0.40 H new ATOM 0 HA LYS A 134 20.416 -5.541 -4.087 1.00 0.43 H new ATOM 0 HB2 LYS A 134 21.591 -2.913 -3.122 1.00 0.48 H new ATOM 0 HB3 LYS A 134 22.010 -4.468 -2.431 1.00 0.48 H new ATOM 0 HG2 LYS A 134 22.460 -3.611 -5.313 1.00 0.65 H new ATOM 0 HG3 LYS A 134 23.688 -3.746 -4.070 1.00 0.65 H new ATOM 0 HD2 LYS A 134 23.124 -6.202 -3.861 1.00 0.78 H new ATOM 0 HD3 LYS A 134 22.025 -6.023 -5.214 1.00 0.78 H new ATOM 0 HE2 LYS A 134 25.007 -5.412 -5.294 1.00 1.00 H new ATOM 0 HE3 LYS A 134 24.270 -6.887 -5.888 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 24.640 -5.402 -7.703 1.00 1.87 H new ATOM 0 HZ2 LYS A 134 22.964 -5.516 -7.455 1.00 1.87 H new ATOM 0 HZ3 LYS A 134 23.808 -4.140 -6.929 1.00 1.87 H new ATOM 2086 N LEU A 135 18.270 -3.832 -2.687 1.00 0.41 N ATOM 2087 CA LEU A 135 17.407 -3.511 -1.579 1.00 0.40 C ATOM 2088 C LEU A 135 16.306 -4.548 -1.412 1.00 0.41 C ATOM 2089 O LEU A 135 15.586 -4.874 -2.360 1.00 0.46 O ATOM 2090 CB LEU A 135 16.814 -2.126 -1.799 1.00 0.41 C ATOM 2091 CG LEU A 135 16.519 -1.350 -0.535 1.00 0.36 C ATOM 2092 CD1 LEU A 135 17.788 -1.198 0.298 1.00 0.79 C ATOM 2093 CD2 LEU A 135 15.938 0.006 -0.893 1.00 0.74 C ATOM 0 H LEU A 135 17.927 -3.515 -3.594 1.00 0.41 H new ATOM 0 HA LEU A 135 17.994 -3.517 -0.661 1.00 0.40 H new ATOM 0 HB2 LEU A 135 17.503 -1.545 -2.412 1.00 0.41 H new ATOM 0 HB3 LEU A 135 15.890 -2.229 -2.368 1.00 0.41 H new ATOM 0 HG LEU A 135 15.788 -1.895 0.062 1.00 0.36 H new ATOM 0 HD11 LEU A 135 17.563 -0.638 1.205 1.00 0.79 H new ATOM 0 HD12 LEU A 135 18.168 -2.184 0.565 1.00 0.79 H new ATOM 0 HD13 LEU A 135 18.541 -0.664 -0.281 1.00 0.79 H new ATOM 0 HD21 LEU A 135 15.726 0.563 0.019 1.00 0.74 H new ATOM 0 HD22 LEU A 135 16.655 0.560 -1.499 1.00 0.74 H new ATOM 0 HD23 LEU A 135 15.015 -0.131 -1.457 1.00 0.74 H new ATOM 2105 N GLN A 136 16.194 -5.062 -0.200 1.00 0.40 N ATOM 2106 CA GLN A 136 15.186 -6.046 0.144 1.00 0.41 C ATOM 2107 C GLN A 136 14.042 -5.358 0.865 1.00 0.38 C ATOM 2108 O GLN A 136 14.206 -4.864 1.985 1.00 0.44 O ATOM 2109 CB GLN A 136 15.803 -7.131 1.027 1.00 0.46 C ATOM 2110 CG GLN A 136 14.896 -8.320 1.295 1.00 0.58 C ATOM 2111 CD GLN A 136 14.606 -8.518 2.773 1.00 0.79 C ATOM 2112 OE1 GLN A 136 14.467 -9.649 3.242 1.00 1.63 O ATOM 2113 NE2 GLN A 136 14.481 -7.428 3.510 1.00 0.72 N ATOM 0 H GLN A 136 16.804 -4.806 0.577 1.00 0.40 H new ATOM 0 HA GLN A 136 14.803 -6.515 -0.762 1.00 0.41 H new ATOM 0 HB2 GLN A 136 16.718 -7.488 0.555 1.00 0.46 H new ATOM 0 HB3 GLN A 136 16.088 -6.686 1.980 1.00 0.46 H new ATOM 0 HG2 GLN A 136 13.956 -8.182 0.760 1.00 0.58 H new ATOM 0 HG3 GLN A 136 15.360 -9.222 0.896 1.00 0.58 H new ATOM 0 HE21 GLN A 136 14.603 -6.509 3.086 1.00 0.72 H new ATOM 0 HE22 GLN A 136 14.262 -7.506 4.503 1.00 0.72 H new ATOM 2122 N ARG A 137 12.898 -5.314 0.214 1.00 0.36 N ATOM 2123 CA ARG A 137 11.739 -4.634 0.744 1.00 0.35 C ATOM 2124 C ARG A 137 11.027 -5.514 1.763 1.00 0.35 C ATOM 2125 O ARG A 137 10.398 -6.515 1.403 1.00 0.39 O ATOM 2126 CB ARG A 137 10.802 -4.256 -0.404 1.00 0.43 C ATOM 2127 CG ARG A 137 9.535 -3.546 0.031 1.00 1.02 C ATOM 2128 CD ARG A 137 8.815 -2.944 -1.161 1.00 1.29 C ATOM 2129 NE ARG A 137 8.464 -3.949 -2.159 1.00 1.00 N ATOM 2130 CZ ARG A 137 8.633 -3.800 -3.465 1.00 1.85 C ATOM 2131 NH1 ARG A 137 9.204 -2.703 -3.955 1.00 2.82 N ATOM 2132 NH2 ARG A 137 8.246 -4.758 -4.280 1.00 2.05 N ATOM 0 H ARG A 137 12.748 -5.749 -0.696 1.00 0.36 H new ATOM 0 HA ARG A 137 12.055 -3.724 1.254 1.00 0.35 H new ATOM 0 HB2 ARG A 137 11.342 -3.616 -1.102 1.00 0.43 H new ATOM 0 HB3 ARG A 137 10.529 -5.161 -0.947 1.00 0.43 H new ATOM 0 HG2 ARG A 137 8.877 -4.249 0.542 1.00 1.02 H new ATOM 0 HG3 ARG A 137 9.780 -2.761 0.747 1.00 1.02 H new ATOM 0 HD2 ARG A 137 7.910 -2.441 -0.820 1.00 1.29 H new ATOM 0 HD3 ARG A 137 9.448 -2.185 -1.620 1.00 1.29 H new ATOM 0 HE ARG A 137 8.061 -4.826 -1.829 1.00 1.00 H new ATOM 0 HH11 ARG A 137 9.517 -1.966 -3.324 1.00 2.82 H new ATOM 0 HH12 ARG A 137 9.329 -2.599 -4.962 1.00 2.82 H new ATOM 0 HH21 ARG A 137 7.820 -5.606 -3.905 1.00 2.05 H new ATOM 0 HH22 ARG A 137 8.372 -4.653 -5.287 1.00 2.05 H new ATOM 2146 N ASN A 138 11.165 -5.151 3.032 1.00 0.35 N ATOM 2147 CA ASN A 138 10.514 -5.871 4.116 1.00 0.39 C ATOM 2148 C ASN A 138 9.263 -5.127 4.559 1.00 0.39 C ATOM 2149 O ASN A 138 9.337 -4.168 5.330 1.00 0.49 O ATOM 2150 CB ASN A 138 11.462 -6.029 5.308 1.00 0.45 C ATOM 2151 CG ASN A 138 10.873 -6.887 6.415 1.00 0.52 C ATOM 2152 OD1 ASN A 138 10.170 -7.860 6.159 1.00 0.84 O ATOM 2153 ND2 ASN A 138 11.138 -6.522 7.660 1.00 0.67 N ATOM 0 H ASN A 138 11.727 -4.356 3.336 1.00 0.35 H new ATOM 0 HA ASN A 138 10.239 -6.861 3.751 1.00 0.39 H new ATOM 0 HB2 ASN A 138 12.397 -6.474 4.967 1.00 0.45 H new ATOM 0 HB3 ASN A 138 11.705 -5.044 5.707 1.00 0.45 H new ATOM 0 HD21 ASN A 138 10.754 -7.055 8.440 1.00 0.67 H new ATOM 0 HD22 ASN A 138 11.726 -5.708 7.839 1.00 0.67 H new ATOM 2160 N ILE A 139 8.122 -5.542 4.042 1.00 0.37 N ATOM 2161 CA ILE A 139 6.857 -4.951 4.432 1.00 0.36 C ATOM 2162 C ILE A 139 6.413 -5.505 5.771 1.00 0.37 C ATOM 2163 O ILE A 139 5.953 -6.641 5.867 1.00 0.46 O ATOM 2164 CB ILE A 139 5.762 -5.199 3.383 1.00 0.39 C ATOM 2165 CG1 ILE A 139 6.230 -4.663 2.034 1.00 0.42 C ATOM 2166 CG2 ILE A 139 4.452 -4.544 3.810 1.00 0.43 C ATOM 2167 CD1 ILE A 139 5.208 -4.801 0.930 1.00 0.48 C ATOM 0 H ILE A 139 8.046 -6.287 3.350 1.00 0.37 H new ATOM 0 HA ILE A 139 7.010 -3.875 4.511 1.00 0.36 H new ATOM 0 HB ILE A 139 5.579 -6.270 3.294 1.00 0.39 H new ATOM 0 HG12 ILE A 139 6.491 -3.611 2.144 1.00 0.42 H new ATOM 0 HG13 ILE A 139 7.139 -5.188 1.741 1.00 0.42 H new ATOM 0 HG21 ILE A 139 3.689 -4.731 3.055 1.00 0.43 H new ATOM 0 HG22 ILE A 139 4.129 -4.963 4.763 1.00 0.43 H new ATOM 0 HG23 ILE A 139 4.601 -3.470 3.918 1.00 0.43 H new ATOM 0 HD11 ILE A 139 5.616 -4.397 0.004 1.00 0.48 H new ATOM 0 HD12 ILE A 139 4.963 -5.854 0.790 1.00 0.48 H new ATOM 0 HD13 ILE A 139 4.306 -4.252 1.199 1.00 0.48 H new ATOM 2179 N LEU A 140 6.570 -4.693 6.795 1.00 0.35 N ATOM 2180 CA LEU A 140 6.229 -5.086 8.148 1.00 0.39 C ATOM 2181 C LEU A 140 4.727 -5.276 8.297 1.00 0.36 C ATOM 2182 O LEU A 140 3.999 -4.344 8.640 1.00 0.37 O ATOM 2183 CB LEU A 140 6.738 -4.047 9.152 1.00 0.47 C ATOM 2184 CG LEU A 140 8.259 -3.940 9.258 1.00 0.54 C ATOM 2185 CD1 LEU A 140 8.650 -2.847 10.241 1.00 0.88 C ATOM 2186 CD2 LEU A 140 8.853 -5.273 9.681 1.00 0.99 C ATOM 0 H LEU A 140 6.936 -3.744 6.715 1.00 0.35 H new ATOM 0 HA LEU A 140 6.714 -6.039 8.356 1.00 0.39 H new ATOM 0 HB2 LEU A 140 6.339 -3.071 8.875 1.00 0.47 H new ATOM 0 HB3 LEU A 140 6.337 -4.288 10.136 1.00 0.47 H new ATOM 0 HG LEU A 140 8.657 -3.678 8.278 1.00 0.54 H new ATOM 0 HD11 LEU A 140 9.736 -2.785 10.303 1.00 0.88 H new ATOM 0 HD12 LEU A 140 8.251 -1.891 9.900 1.00 0.88 H new ATOM 0 HD13 LEU A 140 8.243 -3.080 11.225 1.00 0.88 H new ATOM 0 HD21 LEU A 140 9.937 -5.182 9.752 1.00 0.99 H new ATOM 0 HD22 LEU A 140 8.448 -5.560 10.651 1.00 0.99 H new ATOM 0 HD23 LEU A 140 8.601 -6.034 8.943 1.00 0.99 H new ATOM 2198 N ALA A 141 4.272 -6.491 8.024 1.00 0.39 N ATOM 2199 CA ALA A 141 2.872 -6.839 8.181 1.00 0.42 C ATOM 2200 C ALA A 141 2.553 -6.989 9.658 1.00 0.49 C ATOM 2201 O ALA A 141 1.391 -6.996 10.062 1.00 0.55 O ATOM 2202 CB ALA A 141 2.549 -8.119 7.424 1.00 0.48 C ATOM 0 H ALA A 141 4.859 -7.255 7.690 1.00 0.39 H new ATOM 0 HA ALA A 141 2.255 -6.043 7.764 1.00 0.42 H new ATOM 0 HB1 ALA A 141 1.495 -8.363 7.554 1.00 0.48 H new ATOM 0 HB2 ALA A 141 2.760 -7.978 6.364 1.00 0.48 H new ATOM 0 HB3 ALA A 141 3.160 -8.934 7.811 1.00 0.48 H new ATOM 2208 N SER A 142 3.610 -7.110 10.455 1.00 0.52 N ATOM 2209 CA SER A 142 3.490 -7.138 11.903 1.00 0.62 C ATOM 2210 C SER A 142 3.120 -5.752 12.435 1.00 0.61 C ATOM 2211 O SER A 142 2.704 -5.606 13.585 1.00 0.70 O ATOM 2212 CB SER A 142 4.809 -7.600 12.521 1.00 0.72 C ATOM 2213 OG SER A 142 5.276 -8.783 11.897 1.00 1.42 O ATOM 0 H SER A 142 4.568 -7.191 10.114 1.00 0.52 H new ATOM 0 HA SER A 142 2.700 -7.837 12.177 1.00 0.62 H new ATOM 0 HB2 SER A 142 5.556 -6.813 12.422 1.00 0.72 H new ATOM 0 HB3 SER A 142 4.672 -7.777 13.588 1.00 0.72 H new ATOM 0 HG SER A 142 6.122 -9.058 12.308 1.00 1.42 H new ATOM 2219 N ASN A 143 3.285 -4.736 11.591 1.00 0.56 N ATOM 2220 CA ASN A 143 2.885 -3.375 11.931 1.00 0.60 C ATOM 2221 C ASN A 143 1.897 -2.841 10.899 1.00 0.49 C ATOM 2222 O ASN A 143 2.258 -2.044 10.033 1.00 0.49 O ATOM 2223 CB ASN A 143 4.096 -2.435 12.020 1.00 0.74 C ATOM 2224 CG ASN A 143 4.886 -2.604 13.303 1.00 1.25 C ATOM 2225 OD1 ASN A 143 4.567 -1.991 14.325 1.00 1.87 O ATOM 2226 ND2 ASN A 143 5.937 -3.412 13.258 1.00 1.91 N ATOM 0 H ASN A 143 3.695 -4.832 10.662 1.00 0.56 H new ATOM 0 HA ASN A 143 2.408 -3.409 12.910 1.00 0.60 H new ATOM 0 HB2 ASN A 143 4.753 -2.616 11.169 1.00 0.74 H new ATOM 0 HB3 ASN A 143 3.754 -1.403 11.944 1.00 0.74 H new ATOM 0 HD21 ASN A 143 6.515 -3.544 14.088 1.00 1.91 H new ATOM 0 HD22 ASN A 143 6.168 -3.901 12.393 1.00 1.91 H new ATOM 2233 N PRO A 144 0.637 -3.299 10.958 1.00 0.48 N ATOM 2234 CA PRO A 144 -0.397 -2.881 10.038 1.00 0.43 C ATOM 2235 C PRO A 144 -1.208 -1.711 10.581 1.00 0.39 C ATOM 2236 O PRO A 144 -2.003 -1.868 11.512 1.00 0.51 O ATOM 2237 CB PRO A 144 -1.268 -4.135 9.915 1.00 0.52 C ATOM 2238 CG PRO A 144 -1.003 -4.949 11.153 1.00 0.66 C ATOM 2239 CD PRO A 144 0.108 -4.269 11.921 1.00 0.60 C ATOM 0 HA PRO A 144 0.004 -2.527 9.088 1.00 0.43 H new ATOM 0 HB2 PRO A 144 -2.323 -3.871 9.840 1.00 0.52 H new ATOM 0 HB3 PRO A 144 -1.016 -4.698 9.017 1.00 0.52 H new ATOM 0 HG2 PRO A 144 -1.903 -5.020 11.764 1.00 0.66 H new ATOM 0 HG3 PRO A 144 -0.717 -5.967 10.888 1.00 0.66 H new ATOM 0 HD2 PRO A 144 -0.265 -3.780 12.821 1.00 0.60 H new ATOM 0 HD3 PRO A 144 0.872 -4.979 12.238 1.00 0.60 H new ATOM 2247 N ARG A 145 -0.988 -0.535 10.019 1.00 0.32 N ATOM 2248 CA ARG A 145 -1.749 0.639 10.407 1.00 0.33 C ATOM 2249 C ARG A 145 -3.125 0.600 9.766 1.00 0.30 C ATOM 2250 O ARG A 145 -3.295 0.975 8.611 1.00 0.33 O ATOM 2251 CB ARG A 145 -1.028 1.927 10.009 1.00 0.41 C ATOM 2252 CG ARG A 145 -1.853 3.174 10.286 1.00 0.98 C ATOM 2253 CD ARG A 145 -1.035 4.440 10.141 1.00 1.21 C ATOM 2254 NE ARG A 145 -0.217 4.694 11.324 1.00 1.63 N ATOM 2255 CZ ARG A 145 0.615 5.725 11.459 1.00 2.42 C ATOM 2256 NH1 ARG A 145 0.790 6.583 10.460 1.00 3.00 N ATOM 2257 NH2 ARG A 145 1.283 5.886 12.594 1.00 3.15 N ATOM 0 H ARG A 145 -0.290 -0.368 9.294 1.00 0.32 H new ATOM 0 HA ARG A 145 -1.851 0.630 11.492 1.00 0.33 H new ATOM 0 HB2 ARG A 145 -0.085 1.993 10.552 1.00 0.41 H new ATOM 0 HB3 ARG A 145 -0.783 1.888 8.948 1.00 0.41 H new ATOM 0 HG2 ARG A 145 -2.699 3.209 9.600 1.00 0.98 H new ATOM 0 HG3 ARG A 145 -2.263 3.121 11.295 1.00 0.98 H new ATOM 0 HD2 ARG A 145 -0.392 4.359 9.265 1.00 1.21 H new ATOM 0 HD3 ARG A 145 -1.701 5.286 9.971 1.00 1.21 H new ATOM 0 HE ARG A 145 -0.288 4.036 12.100 1.00 1.63 H new ATOM 0 HH11 ARG A 145 0.286 6.454 9.583 1.00 3.00 H new ATOM 0 HH12 ARG A 145 1.429 7.371 10.570 1.00 3.00 H new ATOM 0 HH21 ARG A 145 1.158 5.222 13.358 1.00 3.15 H new ATOM 0 HH22 ARG A 145 1.922 6.674 12.703 1.00 3.15 H new ATOM 2271 N VAL A 146 -4.104 0.123 10.500 1.00 0.36 N ATOM 2272 CA VAL A 146 -5.452 0.084 9.982 1.00 0.39 C ATOM 2273 C VAL A 146 -6.226 1.271 10.521 1.00 0.40 C ATOM 2274 O VAL A 146 -6.634 1.289 11.682 1.00 0.43 O ATOM 2275 CB VAL A 146 -6.181 -1.223 10.354 1.00 0.47 C ATOM 2276 CG1 VAL A 146 -7.549 -1.286 9.688 1.00 1.14 C ATOM 2277 CG2 VAL A 146 -5.342 -2.431 9.971 1.00 1.11 C ATOM 0 H VAL A 146 -3.995 -0.240 11.447 1.00 0.36 H new ATOM 0 HA VAL A 146 -5.395 0.127 8.894 1.00 0.39 H new ATOM 0 HB VAL A 146 -6.328 -1.236 11.434 1.00 0.47 H new ATOM 0 HG11 VAL A 146 -8.046 -2.216 9.964 1.00 1.14 H new ATOM 0 HG12 VAL A 146 -8.153 -0.441 10.017 1.00 1.14 H new ATOM 0 HG13 VAL A 146 -7.429 -1.246 8.605 1.00 1.14 H new ATOM 0 HG21 VAL A 146 -5.873 -3.344 10.241 1.00 1.11 H new ATOM 0 HG22 VAL A 146 -5.160 -2.422 8.896 1.00 1.11 H new ATOM 0 HG23 VAL A 146 -4.390 -2.395 10.500 1.00 1.11 H new ATOM 2287 N THR A 147 -6.394 2.272 9.683 1.00 0.40 N ATOM 2288 CA THR A 147 -7.139 3.456 10.056 1.00 0.42 C ATOM 2289 C THR A 147 -8.428 3.512 9.267 1.00 0.35 C ATOM 2290 O THR A 147 -8.411 3.743 8.061 1.00 0.33 O ATOM 2291 CB THR A 147 -6.321 4.734 9.789 1.00 0.47 C ATOM 2292 OG1 THR A 147 -4.983 4.574 10.279 1.00 0.56 O ATOM 2293 CG2 THR A 147 -6.960 5.942 10.457 1.00 0.52 C ATOM 0 H THR A 147 -6.022 2.289 8.733 1.00 0.40 H new ATOM 0 HA THR A 147 -7.355 3.401 11.123 1.00 0.42 H new ATOM 0 HB THR A 147 -6.301 4.900 8.712 1.00 0.47 H new ATOM 0 HG1 THR A 147 -4.856 5.136 11.072 1.00 0.56 H new ATOM 0 HG21 THR A 147 -6.362 6.830 10.252 1.00 0.52 H new ATOM 0 HG22 THR A 147 -7.967 6.084 10.065 1.00 0.52 H new ATOM 0 HG23 THR A 147 -7.010 5.779 11.534 1.00 0.52 H new ATOM 2301 N ARG A 148 -9.542 3.275 9.931 1.00 0.38 N ATOM 2302 CA ARG A 148 -10.812 3.302 9.244 1.00 0.34 C ATOM 2303 C ARG A 148 -11.620 4.519 9.671 1.00 0.37 C ATOM 2304 O ARG A 148 -11.605 4.929 10.835 1.00 0.47 O ATOM 2305 CB ARG A 148 -11.595 1.998 9.459 1.00 0.42 C ATOM 2306 CG ARG A 148 -12.026 1.743 10.895 1.00 0.57 C ATOM 2307 CD ARG A 148 -12.573 0.331 11.065 1.00 0.88 C ATOM 2308 NE ARG A 148 -11.514 -0.679 10.992 1.00 1.48 N ATOM 2309 CZ ARG A 148 -11.703 -1.946 10.607 1.00 2.08 C ATOM 2310 NH1 ARG A 148 -12.905 -2.369 10.237 1.00 2.11 N ATOM 2311 NH2 ARG A 148 -10.688 -2.799 10.602 1.00 3.00 N ATOM 0 H ARG A 148 -9.592 3.065 10.928 1.00 0.38 H new ATOM 0 HA ARG A 148 -10.620 3.383 8.174 1.00 0.34 H new ATOM 0 HB2 ARG A 148 -12.482 2.015 8.826 1.00 0.42 H new ATOM 0 HB3 ARG A 148 -10.980 1.162 9.125 1.00 0.42 H new ATOM 0 HG2 ARG A 148 -11.178 1.890 11.563 1.00 0.57 H new ATOM 0 HG3 ARG A 148 -12.788 2.468 11.183 1.00 0.57 H new ATOM 0 HD2 ARG A 148 -13.083 0.253 12.025 1.00 0.88 H new ATOM 0 HD3 ARG A 148 -13.316 0.134 10.292 1.00 0.88 H new ATOM 0 HE ARG A 148 -10.569 -0.397 11.252 1.00 1.48 H new ATOM 0 HH11 ARG A 148 -13.697 -1.726 10.244 1.00 2.11 H new ATOM 0 HH12 ARG A 148 -13.037 -3.337 9.945 1.00 2.11 H new ATOM 0 HH21 ARG A 148 -9.760 -2.490 10.892 1.00 3.00 H new ATOM 0 HH22 ARG A 148 -10.835 -3.765 10.308 1.00 3.00 H new ATOM 2325 N PHE A 149 -12.308 5.092 8.710 1.00 0.33 N ATOM 2326 CA PHE A 149 -12.990 6.360 8.879 1.00 0.36 C ATOM 2327 C PHE A 149 -14.501 6.171 8.844 1.00 0.38 C ATOM 2328 O PHE A 149 -14.993 5.106 8.469 1.00 0.46 O ATOM 2329 CB PHE A 149 -12.576 7.300 7.746 1.00 0.36 C ATOM 2330 CG PHE A 149 -11.088 7.390 7.540 1.00 0.36 C ATOM 2331 CD1 PHE A 149 -10.320 8.285 8.263 1.00 0.43 C ATOM 2332 CD2 PHE A 149 -10.461 6.570 6.615 1.00 0.33 C ATOM 2333 CE1 PHE A 149 -8.954 8.360 8.065 1.00 0.46 C ATOM 2334 CE2 PHE A 149 -9.101 6.640 6.412 1.00 0.34 C ATOM 2335 CZ PHE A 149 -8.346 7.534 7.135 1.00 0.40 C ATOM 0 H PHE A 149 -12.412 4.689 7.779 1.00 0.33 H new ATOM 0 HA PHE A 149 -12.715 6.782 9.846 1.00 0.36 H new ATOM 0 HB2 PHE A 149 -13.041 6.963 6.820 1.00 0.36 H new ATOM 0 HB3 PHE A 149 -12.965 8.297 7.954 1.00 0.36 H new ATOM 0 HD1 PHE A 149 -10.792 8.931 8.989 1.00 0.43 H new ATOM 0 HD2 PHE A 149 -11.048 5.865 6.045 1.00 0.33 H new ATOM 0 HE1 PHE A 149 -8.362 9.061 8.635 1.00 0.46 H new ATOM 0 HE2 PHE A 149 -8.628 5.994 5.687 1.00 0.34 H new ATOM 0 HZ PHE A 149 -7.279 7.592 6.977 1.00 0.40 H new ATOM 2345 N HIS A 150 -15.225 7.196 9.264 1.00 0.47 N ATOM 2346 CA HIS A 150 -16.673 7.230 9.115 1.00 0.51 C ATOM 2347 C HIS A 150 -17.043 8.171 7.979 1.00 0.52 C ATOM 2348 O HIS A 150 -16.694 9.351 8.006 1.00 0.60 O ATOM 2349 CB HIS A 150 -17.348 7.686 10.410 1.00 0.64 C ATOM 2350 CG HIS A 150 -17.365 6.643 11.482 1.00 1.38 C ATOM 2351 ND1 HIS A 150 -16.384 6.531 12.443 1.00 2.39 N ATOM 2352 CD2 HIS A 150 -18.264 5.668 11.753 1.00 1.74 C ATOM 2353 CE1 HIS A 150 -16.681 5.537 13.259 1.00 3.14 C ATOM 2354 NE2 HIS A 150 -17.818 4.996 12.862 1.00 2.73 N ATOM 0 H HIS A 150 -14.831 8.022 9.714 1.00 0.47 H new ATOM 0 HA HIS A 150 -17.022 6.223 8.888 1.00 0.51 H new ATOM 0 HB2 HIS A 150 -16.833 8.571 10.785 1.00 0.64 H new ATOM 0 HB3 HIS A 150 -18.373 7.983 10.189 1.00 0.64 H new ATOM 0 HD2 HIS A 150 -19.166 5.458 11.198 1.00 1.74 H new ATOM 0 HE1 HIS A 150 -16.093 5.220 14.108 1.00 3.14 H new ATOM 0 HE2 HIS A 150 -18.288 4.208 13.307 1.00 2.73 H new ATOM 2363 N ILE A 151 -17.739 7.650 6.980 1.00 0.48 N ATOM 2364 CA ILE A 151 -18.093 8.430 5.808 1.00 0.50 C ATOM 2365 C ILE A 151 -19.529 8.142 5.402 1.00 0.49 C ATOM 2366 O ILE A 151 -20.169 7.241 5.947 1.00 0.55 O ATOM 2367 CB ILE A 151 -17.175 8.129 4.598 1.00 0.48 C ATOM 2368 CG1 ILE A 151 -17.367 6.687 4.119 1.00 0.43 C ATOM 2369 CG2 ILE A 151 -15.715 8.388 4.947 1.00 0.52 C ATOM 2370 CD1 ILE A 151 -16.793 6.425 2.746 1.00 0.64 C ATOM 0 H ILE A 151 -18.070 6.686 6.960 1.00 0.48 H new ATOM 0 HA ILE A 151 -17.970 9.478 6.082 1.00 0.50 H new ATOM 0 HB ILE A 151 -17.454 8.800 3.786 1.00 0.48 H new ATOM 0 HG12 ILE A 151 -16.900 6.010 4.834 1.00 0.43 H new ATOM 0 HG13 ILE A 151 -18.432 6.455 4.109 1.00 0.43 H new ATOM 0 HG21 ILE A 151 -15.090 8.169 4.081 1.00 0.52 H new ATOM 0 HG22 ILE A 151 -15.589 9.433 5.231 1.00 0.52 H new ATOM 0 HG23 ILE A 151 -15.420 7.747 5.778 1.00 0.52 H new ATOM 0 HD11 ILE A 151 -16.966 5.384 2.472 1.00 0.64 H new ATOM 0 HD12 ILE A 151 -17.277 7.077 2.019 1.00 0.64 H new ATOM 0 HD13 ILE A 151 -15.722 6.625 2.755 1.00 0.64 H new ATOM 2382 N ASN A 152 -20.027 8.902 4.444 1.00 0.50 N ATOM 2383 CA ASN A 152 -21.357 8.669 3.904 1.00 0.51 C ATOM 2384 C ASN A 152 -21.276 7.837 2.629 1.00 0.49 C ATOM 2385 O ASN A 152 -20.869 8.310 1.570 1.00 0.52 O ATOM 2386 CB ASN A 152 -22.103 9.993 3.673 1.00 0.62 C ATOM 2387 CG ASN A 152 -21.386 10.959 2.746 1.00 0.87 C ATOM 2388 OD1 ASN A 152 -20.555 11.753 3.183 1.00 1.78 O ATOM 2389 ND2 ASN A 152 -21.719 10.922 1.463 1.00 1.33 N ATOM 0 H ASN A 152 -19.531 9.687 4.022 1.00 0.50 H new ATOM 0 HA ASN A 152 -21.932 8.102 4.637 1.00 0.51 H new ATOM 0 HB2 ASN A 152 -23.088 9.775 3.260 1.00 0.62 H new ATOM 0 HB3 ASN A 152 -22.261 10.480 4.635 1.00 0.62 H new ATOM 0 HD21 ASN A 152 -21.281 11.566 0.804 1.00 1.33 H new ATOM 0 HD22 ASN A 152 -22.413 10.250 1.135 1.00 1.33 H new ATOM 2396 N TRP A 153 -21.646 6.574 2.754 1.00 0.54 N ATOM 2397 CA TRP A 153 -21.630 5.642 1.631 1.00 0.59 C ATOM 2398 C TRP A 153 -22.809 5.916 0.708 1.00 0.72 C ATOM 2399 O TRP A 153 -22.919 5.352 -0.380 1.00 0.87 O ATOM 2400 CB TRP A 153 -21.699 4.203 2.139 1.00 0.63 C ATOM 2401 CG TRP A 153 -20.578 3.825 3.060 1.00 0.55 C ATOM 2402 CD1 TRP A 153 -20.378 4.265 4.338 1.00 0.59 C ATOM 2403 CD2 TRP A 153 -19.513 2.912 2.781 1.00 0.48 C ATOM 2404 NE1 TRP A 153 -19.253 3.687 4.866 1.00 0.56 N ATOM 2405 CE2 TRP A 153 -18.704 2.851 3.929 1.00 0.50 C ATOM 2406 CE3 TRP A 153 -19.164 2.141 1.669 1.00 0.49 C ATOM 2407 CZ2 TRP A 153 -17.571 2.049 3.997 1.00 0.52 C ATOM 2408 CZ3 TRP A 153 -18.038 1.345 1.737 1.00 0.52 C ATOM 2409 CH2 TRP A 153 -17.254 1.304 2.894 1.00 0.53 C ATOM 0 H TRP A 153 -21.965 6.163 3.631 1.00 0.54 H new ATOM 0 HA TRP A 153 -20.701 5.780 1.077 1.00 0.59 H new ATOM 0 HB2 TRP A 153 -22.646 4.057 2.658 1.00 0.63 H new ATOM 0 HB3 TRP A 153 -21.697 3.527 1.284 1.00 0.63 H new ATOM 0 HD1 TRP A 153 -21.014 4.967 4.857 1.00 0.59 H new ATOM 0 HE1 TRP A 153 -18.885 3.852 5.803 1.00 0.56 H new ATOM 0 HE3 TRP A 153 -19.765 2.167 0.772 1.00 0.49 H new ATOM 0 HZ2 TRP A 153 -16.963 2.015 4.889 1.00 0.52 H new ATOM 0 HZ3 TRP A 153 -17.759 0.745 0.884 1.00 0.52 H new ATOM 0 HH2 TRP A 153 -16.379 0.671 2.918 1.00 0.53 H new ATOM 2420 N GLU A 154 -23.673 6.800 1.160 1.00 0.80 N ATOM 2421 CA GLU A 154 -24.854 7.175 0.431 1.00 0.99 C ATOM 2422 C GLU A 154 -24.649 8.578 -0.100 1.00 0.96 C ATOM 2423 O GLU A 154 -24.007 9.404 0.558 1.00 1.23 O ATOM 2424 CB GLU A 154 -26.070 7.144 1.359 1.00 1.23 C ATOM 2425 CG GLU A 154 -26.204 5.863 2.172 1.00 1.48 C ATOM 2426 CD GLU A 154 -26.508 4.645 1.325 1.00 1.70 C ATOM 2427 OE1 GLU A 154 -27.674 4.474 0.908 1.00 2.07 O ATOM 2428 OE2 GLU A 154 -25.570 3.862 1.053 1.00 2.32 O ATOM 0 H GLU A 154 -23.569 7.280 2.054 1.00 0.80 H new ATOM 0 HA GLU A 154 -25.029 6.480 -0.390 1.00 0.99 H new ATOM 0 HB2 GLU A 154 -26.012 7.991 2.043 1.00 1.23 H new ATOM 0 HB3 GLU A 154 -26.972 7.278 0.762 1.00 1.23 H new ATOM 0 HG2 GLU A 154 -25.279 5.692 2.723 1.00 1.48 H new ATOM 0 HG3 GLU A 154 -26.996 5.990 2.910 1.00 1.48 H new ATOM 2435 N ASP A 155 -25.167 8.855 -1.276 1.00 0.99 N ATOM 2436 CA ASP A 155 -25.036 10.178 -1.852 1.00 1.07 C ATOM 2437 C ASP A 155 -26.108 11.086 -1.277 1.00 1.02 C ATOM 2438 O ASP A 155 -27.118 11.372 -1.920 1.00 1.15 O ATOM 2439 CB ASP A 155 -25.125 10.105 -3.372 1.00 1.41 C ATOM 2440 CG ASP A 155 -24.848 11.438 -4.043 1.00 1.79 C ATOM 2441 OD1 ASP A 155 -23.665 11.794 -4.206 1.00 2.49 O ATOM 2442 OD2 ASP A 155 -25.813 12.131 -4.428 1.00 1.86 O ATOM 0 H ASP A 155 -25.681 8.187 -1.851 1.00 0.99 H new ATOM 0 HA ASP A 155 -24.060 10.592 -1.600 1.00 1.07 H new ATOM 0 HB2 ASP A 155 -24.413 9.365 -3.738 1.00 1.41 H new ATOM 0 HB3 ASP A 155 -26.119 9.760 -3.657 1.00 1.41 H new ATOM 2447 N ASN A 156 -25.913 11.460 -0.022 1.00 1.06 N ATOM 2448 CA ASN A 156 -26.840 12.319 0.696 1.00 1.31 C ATOM 2449 C ASN A 156 -26.248 12.699 2.047 1.00 1.59 C ATOM 2450 O ASN A 156 -25.335 13.546 2.068 1.00 2.09 O ATOM 2451 CB ASN A 156 -28.216 11.643 0.872 1.00 1.55 C ATOM 2452 CG ASN A 156 -28.138 10.173 1.261 1.00 1.93 C ATOM 2453 OD1 ASN A 156 -28.051 9.820 2.437 1.00 2.57 O ATOM 2454 ND2 ASN A 156 -28.202 9.301 0.265 1.00 2.27 N ATOM 2455 OXT ASN A 156 -26.680 12.147 3.078 1.00 2.05 O ATOM 0 H ASN A 156 -25.103 11.175 0.529 1.00 1.06 H new ATOM 0 HA ASN A 156 -26.996 13.223 0.108 1.00 1.31 H new ATOM 0 HB2 ASN A 156 -28.779 12.181 1.635 1.00 1.55 H new ATOM 0 HB3 ASN A 156 -28.775 11.733 -0.059 1.00 1.55 H new ATOM 0 HD21 ASN A 156 -28.180 8.300 0.461 1.00 2.27 H new ATOM 0 HD22 ASN A 156 -28.274 9.631 -0.698 1.00 2.27 H new