USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1067 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 85 GLN : amide:sc=-0.00609 X(o=-0.0019,f=0.052) USER MOD Set 1.2: A 161 CYS SG : rot 170:sc= 0.00424 USER MOD Set 2.1: A 56 THR OG1 : rot 100:sc= -0.576 USER MOD Set 2.2: A 74 ASN : amide:sc= 0.184 K(o=-0.39,f=-1.4) USER MOD Set 3.1: A 43 ASN : amide:sc= -1.46! C(o=-1.5!,f=-5.8!) USER MOD Set 3.2: A 77 MET CE :methyl 154:sc= -0.0317 (180deg=-0.326) USER MOD Set 4.1: A 36 HIS :FLIP no HD1:sc= -0.235 F(o=-1,f=0.066) USER MOD Set 4.2: A 38 SER OG : rot 86:sc= 0.301 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.541 F(o=-1.6,f=-0.54) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 165:sc= -1.16 (180deg=-1.35) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot -84:sc= 1.66 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HE2:sc= 0.0286 K(o=0.029,f=-1.6) USER MOD Single : A 39 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.041) USER MOD Single : A 40 TYR OH : rot -74:sc= -4.2! USER MOD Single : A 41 MET CE :methyl -162:sc= -0.0842 (180deg=-0.514) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.0267 F(o=-1,f=-0.027) USER MOD Single : A 51 GLN : amide:sc= 0.0209 X(o=0.021,f=-0.35) USER MOD Single : A 55 TYR OH : rot 90:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.447 F(o=-1.7,f=-0.45) USER MOD Single : A 82 SER OG : rot 95:sc= 1.04 USER MOD Single : A 91 THR OG1 : rot 160:sc= 0.827 USER MOD Single : A 92 THR OG1 : rot -164:sc= 0.49 USER MOD Single : A 93 HIS : no HD1:sc= -0.387 X(o=-0.39,f=-0.2) USER MOD Single : A 94 ASN : amide:sc= -0.0202 X(o=-0.02,f=0) USER MOD Single : A 123 THR OG1 : rot 91:sc= 1.26 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -1.35 K(o=-1.3,f=-2.6) USER MOD Single : A 129 HIS :FLIP no HE2:sc= -3.74! F(o=-4.8,f=-3.7!) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 135 SER OG : rot -158:sc= 0.0558 USER MOD Single : A 138 ASN : amide:sc= -1.73 K(o=-1.7,f=-4.2!) USER MOD Single : A 139 LYS NZ :NH3+ 157:sc= 1.22 (180deg=0.872) USER MOD Single : A 144 GLN : amide:sc= 0.0474 X(o=0.047,f=0) USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 SER OG : rot -48:sc= 0.0516 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 163 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 8 2.915 9.938 -3.713 1.00 1.20 N ATOM 66 CA GLN A 8 4.205 10.570 -3.910 1.00 1.13 C ATOM 67 C GLN A 8 4.058 12.055 -4.173 1.00 0.98 C ATOM 68 O GLN A 8 3.507 12.476 -5.193 1.00 0.93 O ATOM 69 CB GLN A 8 4.984 9.904 -5.045 1.00 1.19 C ATOM 70 CG GLN A 8 5.549 8.548 -4.656 1.00 1.42 C ATOM 71 CD GLN A 8 6.368 8.616 -3.373 1.00 1.54 C ATOM 72 OE1 GLN A 8 7.041 9.741 -3.147 1.00 2.00 O flip ATOM 73 NE2 GLN A 8 6.409 7.661 -2.600 1.00 1.75 N flip ATOM 0 HA GLN A 8 4.770 10.441 -2.987 1.00 1.13 H new ATOM 0 HB2 GLN A 8 4.329 9.785 -5.908 1.00 1.19 H new ATOM 0 HB3 GLN A 8 5.800 10.558 -5.352 1.00 1.19 H new ATOM 0 HG2 GLN A 8 4.732 7.839 -4.527 1.00 1.42 H new ATOM 0 HG3 GLN A 8 6.174 8.170 -5.465 1.00 1.42 H new ATOM 0 HE21 GLN A 8 5.879 6.814 -2.807 1.00 1.75 H new ATOM 0 HE22 GLN A 8 6.973 7.715 -1.752 1.00 1.75 H new ATOM 82 N VAL A 9 4.542 12.837 -3.230 1.00 0.94 N ATOM 83 CA VAL A 9 4.547 14.278 -3.356 1.00 0.81 C ATOM 84 C VAL A 9 5.867 14.718 -3.956 1.00 0.79 C ATOM 85 O VAL A 9 6.929 14.525 -3.360 1.00 0.87 O ATOM 86 CB VAL A 9 4.341 14.961 -1.994 1.00 0.81 C ATOM 87 CG1 VAL A 9 4.062 16.443 -2.178 1.00 1.16 C ATOM 88 CG2 VAL A 9 3.220 14.278 -1.229 1.00 1.27 C ATOM 0 H VAL A 9 4.942 12.492 -2.357 1.00 0.94 H new ATOM 0 HA VAL A 9 3.722 14.572 -4.005 1.00 0.81 H new ATOM 0 HB VAL A 9 5.256 14.866 -1.409 1.00 0.81 H new ATOM 0 HG11 VAL A 9 3.919 16.910 -1.204 1.00 1.16 H new ATOM 0 HG12 VAL A 9 4.906 16.912 -2.685 1.00 1.16 H new ATOM 0 HG13 VAL A 9 3.161 16.572 -2.778 1.00 1.16 H new ATOM 0 HG21 VAL A 9 3.084 14.771 -0.266 1.00 1.27 H new ATOM 0 HG22 VAL A 9 2.296 14.342 -1.803 1.00 1.27 H new ATOM 0 HG23 VAL A 9 3.475 13.231 -1.068 1.00 1.27 H new ATOM 98 N TYR A 10 5.798 15.300 -5.134 1.00 0.71 N ATOM 99 CA TYR A 10 6.987 15.629 -5.889 1.00 0.71 C ATOM 100 C TYR A 10 7.492 17.000 -5.489 1.00 0.62 C ATOM 101 O TYR A 10 6.709 17.929 -5.291 1.00 0.57 O ATOM 102 CB TYR A 10 6.673 15.573 -7.384 1.00 0.74 C ATOM 103 CG TYR A 10 5.906 14.323 -7.776 1.00 0.83 C ATOM 104 CD1 TYR A 10 6.455 13.060 -7.582 1.00 0.95 C ATOM 105 CD2 TYR A 10 4.634 14.406 -8.329 1.00 0.84 C ATOM 106 CE1 TYR A 10 5.761 11.919 -7.933 1.00 1.04 C ATOM 107 CE2 TYR A 10 3.934 13.267 -8.683 1.00 0.94 C ATOM 108 CZ TYR A 10 4.501 12.028 -8.484 1.00 1.03 C ATOM 109 OH TYR A 10 3.808 10.891 -8.837 1.00 1.14 O ATOM 0 H TYR A 10 4.924 15.557 -5.592 1.00 0.71 H new ATOM 0 HA TYR A 10 7.772 14.904 -5.672 1.00 0.71 H new ATOM 0 HB2 TYR A 10 6.092 16.453 -7.662 1.00 0.74 H new ATOM 0 HB3 TYR A 10 7.605 15.614 -7.948 1.00 0.74 H new ATOM 0 HD1 TYR A 10 7.441 12.970 -7.150 1.00 0.95 H new ATOM 0 HD2 TYR A 10 4.185 15.376 -8.485 1.00 0.84 H new ATOM 0 HE1 TYR A 10 6.203 10.946 -7.777 1.00 1.04 H new ATOM 0 HE2 TYR A 10 2.947 13.349 -9.114 1.00 0.94 H new ATOM 0 HH TYR A 10 2.937 11.141 -9.209 1.00 1.14 H new ATOM 119 N ARG A 11 8.801 17.113 -5.360 1.00 0.66 N ATOM 120 CA ARG A 11 9.423 18.328 -4.885 1.00 0.64 C ATOM 121 C ARG A 11 10.245 18.962 -5.997 1.00 0.56 C ATOM 122 O ARG A 11 10.883 18.262 -6.782 1.00 0.66 O ATOM 123 CB ARG A 11 10.302 18.001 -3.679 1.00 0.85 C ATOM 124 CG ARG A 11 10.829 19.221 -2.950 1.00 0.85 C ATOM 125 CD ARG A 11 11.460 18.843 -1.620 1.00 1.11 C ATOM 126 NE ARG A 11 10.498 18.187 -0.728 1.00 1.37 N ATOM 127 CZ ARG A 11 10.639 18.098 0.596 1.00 1.76 C ATOM 128 NH1 ARG A 11 11.734 18.572 1.184 1.00 2.15 N ATOM 129 NH2 ARG A 11 9.695 17.517 1.329 1.00 2.31 N ATOM 0 H ARG A 11 9.459 16.365 -5.582 1.00 0.66 H new ATOM 0 HA ARG A 11 8.656 19.042 -4.583 1.00 0.64 H new ATOM 0 HB2 ARG A 11 9.729 17.392 -2.980 1.00 0.85 H new ATOM 0 HB3 ARG A 11 11.146 17.396 -4.011 1.00 0.85 H new ATOM 0 HG2 ARG A 11 11.566 19.729 -3.573 1.00 0.85 H new ATOM 0 HG3 ARG A 11 10.015 19.926 -2.781 1.00 0.85 H new ATOM 0 HD2 ARG A 11 12.306 18.178 -1.795 1.00 1.11 H new ATOM 0 HD3 ARG A 11 11.853 19.738 -1.137 1.00 1.11 H new ATOM 0 HE ARG A 11 9.666 17.771 -1.147 1.00 1.37 H new ATOM 0 HH11 ARG A 11 12.468 19.004 0.623 1.00 2.15 H new ATOM 0 HH12 ARG A 11 11.840 18.503 2.196 1.00 2.15 H new ATOM 0 HH21 ARG A 11 8.861 17.138 0.880 1.00 2.31 H new ATOM 0 HH22 ARG A 11 9.804 17.450 2.341 1.00 2.31 H new ATOM 143 N GLY A 12 10.203 20.279 -6.071 1.00 0.46 N ATOM 144 CA GLY A 12 10.942 20.997 -7.083 1.00 0.45 C ATOM 145 C GLY A 12 10.906 22.481 -6.827 1.00 0.44 C ATOM 146 O GLY A 12 10.431 22.922 -5.778 1.00 0.50 O ATOM 0 H GLY A 12 9.663 20.871 -5.440 1.00 0.46 H new ATOM 0 HA2 GLY A 12 11.976 20.652 -7.097 1.00 0.45 H new ATOM 0 HA3 GLY A 12 10.521 20.784 -8.066 1.00 0.45 H new ATOM 150 N PHE A 13 11.390 23.254 -7.778 1.00 0.44 N ATOM 151 CA PHE A 13 11.477 24.689 -7.608 1.00 0.46 C ATOM 152 C PHE A 13 11.138 25.418 -8.904 1.00 0.43 C ATOM 153 O PHE A 13 11.480 24.966 -9.999 1.00 0.45 O ATOM 154 CB PHE A 13 12.870 25.075 -7.089 1.00 0.57 C ATOM 155 CG PHE A 13 13.942 24.070 -7.419 1.00 0.57 C ATOM 156 CD1 PHE A 13 14.679 24.186 -8.586 1.00 0.63 C ATOM 157 CD2 PHE A 13 14.213 23.006 -6.559 1.00 0.58 C ATOM 158 CE1 PHE A 13 15.663 23.266 -8.891 1.00 0.68 C ATOM 159 CE2 PHE A 13 15.192 22.087 -6.862 1.00 0.63 C ATOM 160 CZ PHE A 13 15.916 22.217 -8.026 1.00 0.67 C ATOM 0 H PHE A 13 11.729 22.912 -8.677 1.00 0.44 H new ATOM 0 HA PHE A 13 10.741 24.998 -6.866 1.00 0.46 H new ATOM 0 HB2 PHE A 13 13.149 26.041 -7.509 1.00 0.57 H new ATOM 0 HB3 PHE A 13 12.823 25.200 -6.007 1.00 0.57 H new ATOM 0 HD1 PHE A 13 14.482 25.004 -9.264 1.00 0.63 H new ATOM 0 HD2 PHE A 13 13.648 22.902 -5.644 1.00 0.58 H new ATOM 0 HE1 PHE A 13 16.233 23.366 -9.803 1.00 0.68 H new ATOM 0 HE2 PHE A 13 15.392 21.266 -6.189 1.00 0.63 H new ATOM 0 HZ PHE A 13 16.685 21.497 -8.264 1.00 0.67 H new ATOM 170 N ILE A 14 10.442 26.538 -8.759 1.00 0.42 N ATOM 171 CA ILE A 14 9.957 27.314 -9.895 1.00 0.42 C ATOM 172 C ILE A 14 11.124 27.853 -10.723 1.00 0.48 C ATOM 173 O ILE A 14 11.950 28.603 -10.214 1.00 0.56 O ATOM 174 CB ILE A 14 9.091 28.504 -9.415 1.00 0.43 C ATOM 175 CG1 ILE A 14 8.001 28.035 -8.441 1.00 0.41 C ATOM 176 CG2 ILE A 14 8.469 29.230 -10.600 1.00 0.46 C ATOM 177 CD1 ILE A 14 7.006 27.068 -9.045 1.00 0.38 C ATOM 0 H ILE A 14 10.197 26.935 -7.852 1.00 0.42 H new ATOM 0 HA ILE A 14 9.352 26.650 -10.512 1.00 0.42 H new ATOM 0 HB ILE A 14 9.742 29.200 -8.886 1.00 0.43 H new ATOM 0 HG12 ILE A 14 8.476 27.561 -7.582 1.00 0.41 H new ATOM 0 HG13 ILE A 14 7.463 28.906 -8.067 1.00 0.41 H new ATOM 0 HG21 ILE A 14 7.865 30.063 -10.240 1.00 0.46 H new ATOM 0 HG22 ILE A 14 9.258 29.609 -11.250 1.00 0.46 H new ATOM 0 HG23 ILE A 14 7.838 28.539 -11.160 1.00 0.46 H new ATOM 0 HD11 ILE A 14 6.270 26.786 -8.292 1.00 0.38 H new ATOM 0 HD12 ILE A 14 6.501 27.543 -9.886 1.00 0.38 H new ATOM 0 HD13 ILE A 14 7.529 26.177 -9.393 1.00 0.38 H new ATOM 189 N ALA A 15 11.193 27.467 -11.990 1.00 0.49 N ATOM 190 CA ALA A 15 12.259 27.949 -12.866 1.00 0.58 C ATOM 191 C ALA A 15 11.766 29.078 -13.763 1.00 0.65 C ATOM 192 O ALA A 15 12.471 30.064 -13.974 1.00 0.76 O ATOM 193 CB ALA A 15 12.833 26.817 -13.704 1.00 0.59 C ATOM 0 H ALA A 15 10.532 26.828 -12.433 1.00 0.49 H new ATOM 0 HA ALA A 15 13.053 28.341 -12.231 1.00 0.58 H new ATOM 0 HB1 ALA A 15 13.624 27.205 -14.346 1.00 0.59 H new ATOM 0 HB2 ALA A 15 13.242 26.049 -13.047 1.00 0.59 H new ATOM 0 HB3 ALA A 15 12.045 26.385 -14.320 1.00 0.59 H new ATOM 199 N VAL A 16 10.556 28.935 -14.297 1.00 0.66 N ATOM 200 CA VAL A 16 9.974 29.984 -15.124 1.00 0.78 C ATOM 201 C VAL A 16 8.650 30.433 -14.520 1.00 0.69 C ATOM 202 O VAL A 16 7.968 29.651 -13.857 1.00 0.67 O ATOM 203 CB VAL A 16 9.756 29.537 -16.601 1.00 0.94 C ATOM 204 CG1 VAL A 16 10.758 28.464 -17.001 1.00 1.55 C ATOM 205 CG2 VAL A 16 8.328 29.072 -16.855 1.00 1.42 C ATOM 0 H VAL A 16 9.966 28.112 -14.173 1.00 0.66 H new ATOM 0 HA VAL A 16 10.683 30.812 -15.143 1.00 0.78 H new ATOM 0 HB VAL A 16 9.924 30.413 -17.228 1.00 0.94 H new ATOM 0 HG11 VAL A 16 10.583 28.171 -18.036 1.00 1.55 H new ATOM 0 HG12 VAL A 16 11.770 28.856 -16.901 1.00 1.55 H new ATOM 0 HG13 VAL A 16 10.640 27.596 -16.353 1.00 1.55 H new ATOM 0 HG21 VAL A 16 8.224 28.770 -17.897 1.00 1.42 H new ATOM 0 HG22 VAL A 16 8.101 28.225 -16.208 1.00 1.42 H new ATOM 0 HG23 VAL A 16 7.637 29.887 -16.642 1.00 1.42 H new ATOM 215 N MET A 17 8.295 31.687 -14.741 1.00 0.73 N ATOM 216 CA MET A 17 7.044 32.221 -14.231 1.00 0.71 C ATOM 217 C MET A 17 6.361 33.072 -15.289 1.00 0.81 C ATOM 218 O MET A 17 6.804 34.177 -15.599 1.00 0.89 O ATOM 219 CB MET A 17 7.284 33.044 -12.959 1.00 0.74 C ATOM 220 CG MET A 17 6.033 33.734 -12.428 1.00 1.23 C ATOM 221 SD MET A 17 6.317 34.610 -10.874 1.00 1.42 S ATOM 222 CE MET A 17 6.640 33.242 -9.763 1.00 0.90 C ATOM 0 H MET A 17 8.856 32.355 -15.270 1.00 0.73 H new ATOM 0 HA MET A 17 6.392 31.384 -13.981 1.00 0.71 H new ATOM 0 HB2 MET A 17 7.683 32.390 -12.184 1.00 0.74 H new ATOM 0 HB3 MET A 17 8.045 33.798 -13.163 1.00 0.74 H new ATOM 0 HG2 MET A 17 5.669 34.439 -13.175 1.00 1.23 H new ATOM 0 HG3 MET A 17 5.249 32.991 -12.282 1.00 1.23 H new ATOM 0 HE1 MET A 17 7.089 33.618 -8.844 1.00 0.90 H new ATOM 0 HE2 MET A 17 5.704 32.735 -9.529 1.00 0.90 H new ATOM 0 HE3 MET A 17 7.324 32.540 -10.240 1.00 0.90 H new ATOM 232 N LYS A 18 5.294 32.541 -15.862 1.00 0.83 N ATOM 233 CA LYS A 18 4.505 33.289 -16.823 1.00 0.97 C ATOM 234 C LYS A 18 3.263 33.828 -16.127 1.00 1.03 C ATOM 235 O LYS A 18 2.992 33.478 -14.980 1.00 1.01 O ATOM 236 CB LYS A 18 4.114 32.416 -18.023 1.00 1.02 C ATOM 237 CG LYS A 18 5.289 31.708 -18.690 1.00 1.31 C ATOM 238 CD LYS A 18 6.370 32.685 -19.130 1.00 1.39 C ATOM 239 CE LYS A 18 7.483 31.985 -19.892 1.00 1.29 C ATOM 240 NZ LYS A 18 8.555 32.931 -20.300 1.00 2.03 N ATOM 0 H LYS A 18 4.956 31.596 -15.678 1.00 0.83 H new ATOM 0 HA LYS A 18 5.102 34.117 -17.206 1.00 0.97 H new ATOM 0 HB2 LYS A 18 3.393 31.668 -17.694 1.00 1.02 H new ATOM 0 HB3 LYS A 18 3.612 33.039 -18.763 1.00 1.02 H new ATOM 0 HG2 LYS A 18 5.716 30.983 -17.997 1.00 1.31 H new ATOM 0 HG3 LYS A 18 4.932 31.149 -19.555 1.00 1.31 H new ATOM 0 HD2 LYS A 18 5.928 33.458 -19.759 1.00 1.39 H new ATOM 0 HD3 LYS A 18 6.786 33.185 -18.256 1.00 1.39 H new ATOM 0 HE2 LYS A 18 7.910 31.199 -19.270 1.00 1.29 H new ATOM 0 HE3 LYS A 18 7.069 31.502 -20.777 1.00 1.29 H new ATOM 0 HZ1 LYS A 18 9.295 32.415 -20.817 1.00 2.03 H new ATOM 0 HZ2 LYS A 18 8.153 33.667 -20.915 1.00 2.03 H new ATOM 0 HZ3 LYS A 18 8.968 33.373 -19.454 1.00 2.03 H new ATOM 254 N GLU A 19 2.509 34.665 -16.818 1.00 1.21 N ATOM 255 CA GLU A 19 1.343 35.303 -16.222 1.00 1.32 C ATOM 256 C GLU A 19 0.201 34.308 -16.011 1.00 1.18 C ATOM 257 O GLU A 19 -0.683 34.533 -15.187 1.00 1.24 O ATOM 258 CB GLU A 19 0.874 36.460 -17.100 1.00 1.62 C ATOM 259 CG GLU A 19 1.931 37.535 -17.285 1.00 2.11 C ATOM 260 CD GLU A 19 1.448 38.688 -18.139 1.00 2.65 C ATOM 261 OE1 GLU A 19 1.838 38.762 -19.322 1.00 2.89 O ATOM 262 OE2 GLU A 19 0.675 39.524 -17.631 1.00 3.24 O ATOM 0 H GLU A 19 2.681 34.920 -17.791 1.00 1.21 H new ATOM 0 HA GLU A 19 1.636 35.685 -15.244 1.00 1.32 H new ATOM 0 HB2 GLU A 19 0.584 36.073 -18.077 1.00 1.62 H new ATOM 0 HB3 GLU A 19 -0.016 36.907 -16.657 1.00 1.62 H new ATOM 0 HG2 GLU A 19 2.234 37.913 -16.309 1.00 2.11 H new ATOM 0 HG3 GLU A 19 2.816 37.094 -17.744 1.00 2.11 H new ATOM 269 N ASN A 20 0.219 33.212 -16.759 1.00 1.10 N ATOM 270 CA ASN A 20 -0.860 32.227 -16.683 1.00 1.07 C ATOM 271 C ASN A 20 -0.387 30.918 -16.050 1.00 0.95 C ATOM 272 O ASN A 20 -1.090 30.325 -15.233 1.00 0.97 O ATOM 273 CB ASN A 20 -1.452 31.958 -18.071 1.00 1.19 C ATOM 274 CG ASN A 20 -2.222 33.147 -18.617 1.00 1.48 C ATOM 275 OD1 ASN A 20 -3.406 33.315 -18.328 1.00 2.03 O ATOM 276 ND2 ASN A 20 -1.561 33.978 -19.410 1.00 1.59 N ATOM 0 H ASN A 20 0.960 32.981 -17.420 1.00 1.10 H new ATOM 0 HA ASN A 20 -1.636 32.648 -16.044 1.00 1.07 H new ATOM 0 HB2 ASN A 20 -0.648 31.702 -18.761 1.00 1.19 H new ATOM 0 HB3 ASN A 20 -2.114 31.094 -18.018 1.00 1.19 H new ATOM 0 HD21 ASN A 20 -2.034 34.791 -19.804 1.00 1.59 H new ATOM 0 HD22 ASN A 20 -0.579 33.804 -19.626 1.00 1.59 H new ATOM 283 N PHE A 21 0.805 30.474 -16.424 1.00 0.88 N ATOM 284 CA PHE A 21 1.318 29.193 -15.960 1.00 0.80 C ATOM 285 C PHE A 21 2.823 29.263 -15.762 1.00 0.75 C ATOM 286 O PHE A 21 3.443 30.282 -16.055 1.00 0.79 O ATOM 287 CB PHE A 21 0.972 28.091 -16.966 1.00 0.87 C ATOM 288 CG PHE A 21 1.550 28.316 -18.339 1.00 0.94 C ATOM 289 CD1 PHE A 21 2.816 27.847 -18.656 1.00 0.97 C ATOM 290 CD2 PHE A 21 0.832 28.997 -19.306 1.00 1.14 C ATOM 291 CE1 PHE A 21 3.352 28.055 -19.909 1.00 1.05 C ATOM 292 CE2 PHE A 21 1.363 29.206 -20.564 1.00 1.25 C ATOM 293 CZ PHE A 21 2.626 28.734 -20.866 1.00 1.15 C ATOM 0 H PHE A 21 1.434 30.981 -17.047 1.00 0.88 H new ATOM 0 HA PHE A 21 0.851 28.959 -15.003 1.00 0.80 H new ATOM 0 HB2 PHE A 21 1.332 27.136 -16.583 1.00 0.87 H new ATOM 0 HB3 PHE A 21 -0.112 28.014 -17.047 1.00 0.87 H new ATOM 0 HD1 PHE A 21 3.389 27.313 -17.913 1.00 0.97 H new ATOM 0 HD2 PHE A 21 -0.155 29.369 -19.075 1.00 1.14 H new ATOM 0 HE1 PHE A 21 4.340 27.686 -20.142 1.00 1.05 H new ATOM 0 HE2 PHE A 21 0.792 29.738 -21.311 1.00 1.25 H new ATOM 0 HZ PHE A 21 3.044 28.896 -21.849 1.00 1.15 H new ATOM 303 N GLY A 22 3.406 28.182 -15.277 1.00 0.71 N ATOM 304 CA GLY A 22 4.841 28.142 -15.091 1.00 0.68 C ATOM 305 C GLY A 22 5.396 26.745 -15.254 1.00 0.66 C ATOM 306 O GLY A 22 4.650 25.799 -15.511 1.00 0.70 O ATOM 0 H GLY A 22 2.913 27.330 -15.008 1.00 0.71 H new ATOM 0 HA2 GLY A 22 5.318 28.808 -15.810 1.00 0.68 H new ATOM 0 HA3 GLY A 22 5.088 28.516 -14.098 1.00 0.68 H new ATOM 310 N PHE A 23 6.705 26.619 -15.099 1.00 0.66 N ATOM 311 CA PHE A 23 7.374 25.333 -15.194 1.00 0.65 C ATOM 312 C PHE A 23 8.218 25.107 -13.952 1.00 0.56 C ATOM 313 O PHE A 23 8.695 26.068 -13.331 1.00 0.59 O ATOM 314 CB PHE A 23 8.241 25.253 -16.452 1.00 0.76 C ATOM 315 CG PHE A 23 7.453 25.236 -17.732 1.00 0.85 C ATOM 316 CD1 PHE A 23 6.563 24.207 -17.996 1.00 0.88 C ATOM 317 CD2 PHE A 23 7.600 26.245 -18.668 1.00 0.98 C ATOM 318 CE1 PHE A 23 5.833 24.188 -19.167 1.00 0.98 C ATOM 319 CE2 PHE A 23 6.874 26.231 -19.842 1.00 1.08 C ATOM 320 CZ PHE A 23 5.988 25.202 -20.091 1.00 1.06 C ATOM 0 H PHE A 23 7.330 27.402 -14.905 1.00 0.66 H new ATOM 0 HA PHE A 23 6.618 24.551 -15.264 1.00 0.65 H new ATOM 0 HB2 PHE A 23 8.922 26.104 -16.467 1.00 0.76 H new ATOM 0 HB3 PHE A 23 8.855 24.354 -16.402 1.00 0.76 H new ATOM 0 HD1 PHE A 23 6.439 23.411 -17.277 1.00 0.88 H new ATOM 0 HD2 PHE A 23 8.291 27.053 -18.478 1.00 0.98 H new ATOM 0 HE1 PHE A 23 5.142 23.381 -19.360 1.00 0.98 H new ATOM 0 HE2 PHE A 23 6.999 27.024 -20.565 1.00 1.08 H new ATOM 0 HZ PHE A 23 5.417 25.190 -21.008 1.00 1.06 H new ATOM 330 N ILE A 24 8.409 23.850 -13.599 1.00 0.54 N ATOM 331 CA ILE A 24 9.046 23.497 -12.341 1.00 0.48 C ATOM 332 C ILE A 24 10.230 22.577 -12.569 1.00 0.54 C ATOM 333 O ILE A 24 10.061 21.439 -13.010 1.00 0.61 O ATOM 334 CB ILE A 24 8.064 22.784 -11.387 1.00 0.42 C ATOM 335 CG1 ILE A 24 6.816 23.632 -11.177 1.00 0.41 C ATOM 336 CG2 ILE A 24 8.733 22.494 -10.051 1.00 0.40 C ATOM 337 CD1 ILE A 24 5.727 22.938 -10.392 1.00 0.41 C ATOM 0 H ILE A 24 8.131 23.051 -14.168 1.00 0.54 H new ATOM 0 HA ILE A 24 9.379 24.432 -11.891 1.00 0.48 H new ATOM 0 HB ILE A 24 7.771 21.838 -11.841 1.00 0.42 H new ATOM 0 HG12 ILE A 24 7.095 24.549 -10.659 1.00 0.41 H new ATOM 0 HG13 ILE A 24 6.419 23.924 -12.149 1.00 0.41 H new ATOM 0 HG21 ILE A 24 8.026 21.991 -9.391 1.00 0.40 H new ATOM 0 HG22 ILE A 24 9.600 21.853 -10.210 1.00 0.40 H new ATOM 0 HG23 ILE A 24 9.053 23.430 -9.594 1.00 0.40 H new ATOM 0 HD11 ILE A 24 4.873 23.607 -10.285 1.00 0.41 H new ATOM 0 HD12 ILE A 24 5.418 22.035 -10.919 1.00 0.41 H new ATOM 0 HD13 ILE A 24 6.104 22.671 -9.405 1.00 0.41 H new ATOM 349 N GLU A 25 11.417 23.059 -12.245 1.00 0.58 N ATOM 350 CA GLU A 25 12.595 22.220 -12.284 1.00 0.67 C ATOM 351 C GLU A 25 12.502 21.214 -11.148 1.00 0.64 C ATOM 352 O GLU A 25 12.287 21.590 -9.990 1.00 0.63 O ATOM 353 CB GLU A 25 13.870 23.059 -12.162 1.00 0.78 C ATOM 354 CG GLU A 25 15.149 22.236 -12.192 1.00 0.95 C ATOM 355 CD GLU A 25 15.312 21.438 -13.472 1.00 1.60 C ATOM 356 OE1 GLU A 25 16.165 21.812 -14.306 1.00 2.07 O ATOM 357 OE2 GLU A 25 14.570 20.450 -13.655 1.00 2.30 O ATOM 0 H GLU A 25 11.587 24.022 -11.954 1.00 0.58 H new ATOM 0 HA GLU A 25 12.643 21.698 -13.240 1.00 0.67 H new ATOM 0 HB2 GLU A 25 13.896 23.784 -12.975 1.00 0.78 H new ATOM 0 HB3 GLU A 25 13.834 23.625 -11.231 1.00 0.78 H new ATOM 0 HG2 GLU A 25 16.005 22.901 -12.074 1.00 0.95 H new ATOM 0 HG3 GLU A 25 15.155 21.554 -11.342 1.00 0.95 H new ATOM 364 N THR A 26 12.631 19.946 -11.479 1.00 0.68 N ATOM 365 CA THR A 26 12.413 18.888 -10.514 1.00 0.69 C ATOM 366 C THR A 26 13.593 18.754 -9.560 1.00 0.71 C ATOM 367 O THR A 26 14.682 19.272 -9.814 1.00 0.82 O ATOM 368 CB THR A 26 12.135 17.549 -11.214 1.00 0.79 C ATOM 369 OG1 THR A 26 12.851 17.498 -12.449 1.00 0.84 O ATOM 370 CG2 THR A 26 10.644 17.356 -11.475 1.00 0.87 C ATOM 0 H THR A 26 12.887 19.622 -12.412 1.00 0.68 H new ATOM 0 HA THR A 26 11.534 19.159 -9.929 1.00 0.69 H new ATOM 0 HB THR A 26 12.469 16.746 -10.557 1.00 0.79 H new ATOM 0 HG1 THR A 26 12.333 17.951 -13.146 1.00 0.84 H new ATOM 0 HG21 THR A 26 10.482 16.399 -11.971 1.00 0.87 H new ATOM 0 HG22 THR A 26 10.104 17.370 -10.528 1.00 0.87 H new ATOM 0 HG23 THR A 26 10.279 18.161 -12.112 1.00 0.87 H new ATOM 378 N LEU A 27 13.363 18.048 -8.463 1.00 0.68 N ATOM 379 CA LEU A 27 14.332 17.967 -7.384 1.00 0.74 C ATOM 380 C LEU A 27 15.650 17.357 -7.853 1.00 0.89 C ATOM 381 O LEU A 27 16.721 17.900 -7.583 1.00 1.00 O ATOM 382 CB LEU A 27 13.743 17.159 -6.221 1.00 0.74 C ATOM 383 CG LEU A 27 14.456 17.329 -4.878 1.00 0.80 C ATOM 384 CD1 LEU A 27 15.619 16.355 -4.742 1.00 1.48 C ATOM 385 CD2 LEU A 27 14.940 18.759 -4.725 1.00 1.58 C ATOM 0 H LEU A 27 12.506 17.520 -8.298 1.00 0.68 H new ATOM 0 HA LEU A 27 14.550 18.980 -7.045 1.00 0.74 H new ATOM 0 HB2 LEU A 27 12.698 17.442 -6.097 1.00 0.74 H new ATOM 0 HB3 LEU A 27 13.758 16.103 -6.490 1.00 0.74 H new ATOM 0 HG LEU A 27 13.744 17.107 -4.083 1.00 0.80 H new ATOM 0 HD11 LEU A 27 16.105 16.501 -3.777 1.00 1.48 H new ATOM 0 HD12 LEU A 27 15.247 15.333 -4.810 1.00 1.48 H new ATOM 0 HD13 LEU A 27 16.338 16.533 -5.541 1.00 1.48 H new ATOM 0 HD21 LEU A 27 15.446 18.871 -3.766 1.00 1.58 H new ATOM 0 HD22 LEU A 27 15.634 18.997 -5.532 1.00 1.58 H new ATOM 0 HD23 LEU A 27 14.088 19.438 -4.767 1.00 1.58 H new ATOM 397 N SER A 28 15.570 16.237 -8.550 1.00 0.97 N ATOM 398 CA SER A 28 16.761 15.559 -9.031 1.00 1.16 C ATOM 399 C SER A 28 17.010 15.912 -10.495 1.00 1.12 C ATOM 400 O SER A 28 17.832 15.276 -11.161 1.00 1.25 O ATOM 401 CB SER A 28 16.590 14.045 -8.892 1.00 1.34 C ATOM 402 OG SER A 28 15.825 13.709 -7.740 1.00 2.04 O ATOM 0 H SER A 28 14.693 15.778 -8.795 1.00 0.97 H new ATOM 0 HA SER A 28 17.614 15.883 -8.435 1.00 1.16 H new ATOM 0 HB2 SER A 28 16.101 13.650 -9.782 1.00 1.34 H new ATOM 0 HB3 SER A 28 17.570 13.572 -8.830 1.00 1.34 H new ATOM 0 HG SER A 28 15.733 12.735 -7.681 1.00 2.04 H new ATOM 408 N HIS A 29 16.315 16.947 -10.975 1.00 1.00 N ATOM 409 CA HIS A 29 16.253 17.251 -12.404 1.00 1.01 C ATOM 410 C HIS A 29 15.745 16.017 -13.137 1.00 1.02 C ATOM 411 O HIS A 29 16.347 15.535 -14.101 1.00 1.13 O ATOM 412 CB HIS A 29 17.614 17.689 -12.950 1.00 1.17 C ATOM 413 CG HIS A 29 18.173 18.918 -12.297 1.00 1.75 C ATOM 414 ND1 HIS A 29 18.125 20.175 -12.855 1.00 2.53 N ATOM 415 CD2 HIS A 29 18.831 19.059 -11.116 1.00 2.06 C ATOM 416 CE1 HIS A 29 18.743 21.020 -12.026 1.00 3.29 C ATOM 417 NE2 HIS A 29 19.190 20.396 -10.952 1.00 3.03 N ATOM 0 H HIS A 29 15.785 17.591 -10.389 1.00 1.00 H new ATOM 0 HA HIS A 29 15.571 18.086 -12.563 1.00 1.01 H new ATOM 0 HB2 HIS A 29 18.323 16.871 -12.825 1.00 1.17 H new ATOM 0 HB3 HIS A 29 17.522 17.870 -14.021 1.00 1.17 H new ATOM 0 HD1 HIS A 29 17.693 20.419 -13.746 1.00 2.53 H new ATOM 0 HD2 HIS A 29 19.042 18.263 -10.417 1.00 2.06 H new ATOM 0 HE1 HIS A 29 18.862 22.077 -12.210 1.00 3.29 H new ATOM 425 N ASP A 30 14.639 15.502 -12.622 1.00 1.05 N ATOM 426 CA ASP A 30 14.008 14.301 -13.132 1.00 1.17 C ATOM 427 C ASP A 30 13.366 14.576 -14.483 1.00 1.15 C ATOM 428 O ASP A 30 13.565 13.827 -15.438 1.00 1.31 O ATOM 429 CB ASP A 30 12.939 13.819 -12.138 1.00 1.31 C ATOM 430 CG ASP A 30 13.475 13.644 -10.724 1.00 2.12 C ATOM 431 OD1 ASP A 30 13.513 14.643 -9.964 1.00 2.89 O ATOM 432 OD2 ASP A 30 13.849 12.509 -10.365 1.00 2.47 O ATOM 0 H ASP A 30 14.150 15.914 -11.827 1.00 1.05 H new ATOM 0 HA ASP A 30 14.766 13.528 -13.254 1.00 1.17 H new ATOM 0 HB2 ASP A 30 12.117 14.534 -12.123 1.00 1.31 H new ATOM 0 HB3 ASP A 30 12.530 12.870 -12.485 1.00 1.31 H new ATOM 437 N GLU A 31 12.602 15.660 -14.550 1.00 1.06 N ATOM 438 CA GLU A 31 11.903 16.052 -15.767 1.00 1.19 C ATOM 439 C GLU A 31 11.242 17.420 -15.594 1.00 1.07 C ATOM 440 O GLU A 31 11.321 18.022 -14.526 1.00 0.94 O ATOM 441 CB GLU A 31 10.855 14.999 -16.148 1.00 1.37 C ATOM 442 CG GLU A 31 9.849 14.687 -15.048 1.00 1.33 C ATOM 443 CD GLU A 31 8.861 13.616 -15.464 1.00 1.49 C ATOM 444 OE1 GLU A 31 7.803 13.955 -16.038 1.00 1.80 O ATOM 445 OE2 GLU A 31 9.124 12.428 -15.200 1.00 1.65 O ATOM 0 H GLU A 31 12.450 16.291 -13.763 1.00 1.06 H new ATOM 0 HA GLU A 31 12.634 16.122 -16.572 1.00 1.19 H new ATOM 0 HB2 GLU A 31 10.315 15.343 -17.030 1.00 1.37 H new ATOM 0 HB3 GLU A 31 11.367 14.078 -16.427 1.00 1.37 H new ATOM 0 HG2 GLU A 31 10.380 14.361 -14.154 1.00 1.33 H new ATOM 0 HG3 GLU A 31 9.308 15.596 -14.784 1.00 1.33 H new ATOM 452 N GLU A 32 10.582 17.896 -16.641 1.00 1.20 N ATOM 453 CA GLU A 32 9.908 19.191 -16.603 1.00 1.14 C ATOM 454 C GLU A 32 8.404 18.986 -16.446 1.00 1.04 C ATOM 455 O GLU A 32 7.828 18.084 -17.063 1.00 1.17 O ATOM 456 CB GLU A 32 10.213 19.984 -17.880 1.00 1.41 C ATOM 457 CG GLU A 32 9.470 21.310 -17.992 1.00 1.85 C ATOM 458 CD GLU A 32 9.771 22.263 -16.847 1.00 2.71 C ATOM 459 OE1 GLU A 32 9.033 22.229 -15.836 1.00 3.37 O ATOM 460 OE2 GLU A 32 10.726 23.055 -16.964 1.00 3.06 O ATOM 0 H GLU A 32 10.498 17.405 -17.531 1.00 1.20 H new ATOM 0 HA GLU A 32 10.275 19.760 -15.749 1.00 1.14 H new ATOM 0 HB2 GLU A 32 11.285 20.177 -17.925 1.00 1.41 H new ATOM 0 HB3 GLU A 32 9.963 19.368 -18.744 1.00 1.41 H new ATOM 0 HG2 GLU A 32 9.735 21.789 -18.934 1.00 1.85 H new ATOM 0 HG3 GLU A 32 8.398 21.117 -18.023 1.00 1.85 H new ATOM 467 N VAL A 33 7.769 19.815 -15.629 1.00 0.87 N ATOM 468 CA VAL A 33 6.360 19.643 -15.319 1.00 0.80 C ATOM 469 C VAL A 33 5.594 20.947 -15.494 1.00 0.75 C ATOM 470 O VAL A 33 6.004 21.995 -14.998 1.00 0.71 O ATOM 471 CB VAL A 33 6.139 19.134 -13.875 1.00 0.71 C ATOM 472 CG1 VAL A 33 4.674 18.801 -13.651 1.00 0.78 C ATOM 473 CG2 VAL A 33 7.013 17.925 -13.575 1.00 0.76 C ATOM 0 H VAL A 33 8.209 20.613 -15.170 1.00 0.87 H new ATOM 0 HA VAL A 33 5.986 18.896 -16.019 1.00 0.80 H new ATOM 0 HB VAL A 33 6.427 19.931 -13.190 1.00 0.71 H new ATOM 0 HG11 VAL A 33 4.534 18.444 -12.631 1.00 0.78 H new ATOM 0 HG12 VAL A 33 4.070 19.694 -13.809 1.00 0.78 H new ATOM 0 HG13 VAL A 33 4.366 18.025 -14.352 1.00 0.78 H new ATOM 0 HG21 VAL A 33 6.834 17.591 -12.553 1.00 0.76 H new ATOM 0 HG22 VAL A 33 6.769 17.119 -14.267 1.00 0.76 H new ATOM 0 HG23 VAL A 33 8.062 18.197 -13.690 1.00 0.76 H new ATOM 483 N PHE A 34 4.465 20.865 -16.185 1.00 0.83 N ATOM 484 CA PHE A 34 3.603 22.014 -16.382 1.00 0.82 C ATOM 485 C PHE A 34 2.624 22.149 -15.223 1.00 0.75 C ATOM 486 O PHE A 34 1.811 21.257 -14.976 1.00 0.78 O ATOM 487 CB PHE A 34 2.847 21.891 -17.713 1.00 0.94 C ATOM 488 CG PHE A 34 1.589 22.711 -17.776 1.00 0.95 C ATOM 489 CD1 PHE A 34 0.351 22.089 -17.765 1.00 1.02 C ATOM 490 CD2 PHE A 34 1.637 24.096 -17.835 1.00 0.93 C ATOM 491 CE1 PHE A 34 -0.812 22.826 -17.807 1.00 1.06 C ATOM 492 CE2 PHE A 34 0.472 24.837 -17.881 1.00 0.97 C ATOM 493 CZ PHE A 34 -0.752 24.201 -17.866 1.00 1.04 C ATOM 0 H PHE A 34 4.126 20.007 -16.620 1.00 0.83 H new ATOM 0 HA PHE A 34 4.221 22.911 -16.416 1.00 0.82 H new ATOM 0 HB2 PHE A 34 3.508 22.195 -18.525 1.00 0.94 H new ATOM 0 HB3 PHE A 34 2.596 20.844 -17.881 1.00 0.94 H new ATOM 0 HD1 PHE A 34 0.297 21.011 -17.723 1.00 1.02 H new ATOM 0 HD2 PHE A 34 2.593 24.599 -17.845 1.00 0.93 H new ATOM 0 HE1 PHE A 34 -1.769 22.327 -17.794 1.00 1.06 H new ATOM 0 HE2 PHE A 34 0.520 25.915 -17.929 1.00 0.97 H new ATOM 0 HZ PHE A 34 -1.663 24.781 -17.900 1.00 1.04 H new ATOM 503 N PHE A 35 2.705 23.258 -14.507 1.00 0.68 N ATOM 504 CA PHE A 35 1.744 23.534 -13.457 1.00 0.65 C ATOM 505 C PHE A 35 1.019 24.837 -13.780 1.00 0.66 C ATOM 506 O PHE A 35 1.571 25.711 -14.453 1.00 0.67 O ATOM 507 CB PHE A 35 2.422 23.600 -12.077 1.00 0.62 C ATOM 508 CG PHE A 35 2.942 24.959 -11.690 1.00 0.80 C ATOM 509 CD1 PHE A 35 4.088 25.475 -12.268 1.00 1.17 C ATOM 510 CD2 PHE A 35 2.280 25.716 -10.734 1.00 1.23 C ATOM 511 CE1 PHE A 35 4.564 26.719 -11.906 1.00 1.72 C ATOM 512 CE2 PHE A 35 2.752 26.960 -10.370 1.00 1.76 C ATOM 513 CZ PHE A 35 3.895 27.461 -10.957 1.00 1.96 C ATOM 0 H PHE A 35 3.420 23.975 -14.633 1.00 0.68 H new ATOM 0 HA PHE A 35 1.020 22.720 -13.412 1.00 0.65 H new ATOM 0 HB2 PHE A 35 1.708 23.272 -11.322 1.00 0.62 H new ATOM 0 HB3 PHE A 35 3.251 22.892 -12.061 1.00 0.62 H new ATOM 0 HD1 PHE A 35 4.617 24.897 -13.012 1.00 1.17 H new ATOM 0 HD2 PHE A 35 1.386 25.327 -10.270 1.00 1.23 H new ATOM 0 HE1 PHE A 35 5.459 27.110 -12.366 1.00 1.72 H new ATOM 0 HE2 PHE A 35 2.227 27.541 -9.626 1.00 1.76 H new ATOM 0 HZ PHE A 35 4.266 28.435 -10.673 1.00 1.96 H new ATOM 523 N HIS A 36 -0.214 24.967 -13.327 1.00 0.72 N ATOM 524 CA HIS A 36 -0.989 26.163 -13.615 1.00 0.74 C ATOM 525 C HIS A 36 -1.288 26.900 -12.315 1.00 0.70 C ATOM 526 O HIS A 36 -1.713 26.287 -11.335 1.00 0.74 O ATOM 527 CB HIS A 36 -2.283 25.798 -14.351 1.00 0.84 C ATOM 528 CG HIS A 36 -2.870 26.935 -15.130 1.00 0.94 C ATOM 529 ND1 HIS A 36 -3.779 27.868 -14.759 1.00 1.06 N flip ATOM 530 CD2 HIS A 36 -2.552 27.219 -16.441 1.00 1.15 C flip ATOM 531 CE1 HIS A 36 -4.021 28.724 -15.828 1.00 1.12 C flip ATOM 532 NE2 HIS A 36 -3.259 28.293 -16.813 1.00 1.18 N flip ATOM 0 H HIS A 36 -0.698 24.268 -12.764 1.00 0.72 H new ATOM 0 HA HIS A 36 -0.411 26.820 -14.265 1.00 0.74 H new ATOM 0 HB2 HIS A 36 -2.084 24.968 -15.029 1.00 0.84 H new ATOM 0 HB3 HIS A 36 -3.017 25.448 -13.626 1.00 0.84 H new ATOM 0 HD2 HIS A 36 -1.855 26.672 -17.059 1.00 1.15 H new ATOM 0 HE1 HIS A 36 -4.695 29.568 -15.847 1.00 1.12 H new ATOM 0 HE2 HIS A 36 -3.214 28.722 -17.738 1.00 1.18 H new ATOM 540 N PHE A 37 -1.070 28.213 -12.315 1.00 0.68 N ATOM 541 CA PHE A 37 -1.166 29.021 -11.094 1.00 0.67 C ATOM 542 C PHE A 37 -2.566 29.019 -10.484 1.00 0.73 C ATOM 543 O PHE A 37 -2.725 29.295 -9.295 1.00 0.75 O ATOM 544 CB PHE A 37 -0.728 30.462 -11.364 1.00 0.71 C ATOM 545 CG PHE A 37 0.761 30.626 -11.487 1.00 0.68 C ATOM 546 CD1 PHE A 37 1.350 30.832 -12.721 1.00 0.73 C ATOM 547 CD2 PHE A 37 1.570 30.577 -10.364 1.00 0.69 C ATOM 548 CE1 PHE A 37 2.718 30.981 -12.834 1.00 0.74 C ATOM 549 CE2 PHE A 37 2.937 30.726 -10.469 1.00 0.72 C ATOM 550 CZ PHE A 37 3.514 30.929 -11.707 1.00 0.73 C ATOM 0 H PHE A 37 -0.824 28.745 -13.150 1.00 0.68 H new ATOM 0 HA PHE A 37 -0.495 28.558 -10.371 1.00 0.67 H new ATOM 0 HB2 PHE A 37 -1.200 30.810 -12.282 1.00 0.71 H new ATOM 0 HB3 PHE A 37 -1.090 31.100 -10.558 1.00 0.71 H new ATOM 0 HD1 PHE A 37 0.733 30.877 -13.606 1.00 0.73 H new ATOM 0 HD2 PHE A 37 1.124 30.420 -9.393 1.00 0.69 H new ATOM 0 HE1 PHE A 37 3.166 31.138 -13.804 1.00 0.74 H new ATOM 0 HE2 PHE A 37 3.555 30.684 -9.584 1.00 0.72 H new ATOM 0 HZ PHE A 37 4.584 31.047 -11.793 1.00 0.73 H new ATOM 560 N SER A 38 -3.575 28.729 -11.293 1.00 0.80 N ATOM 561 CA SER A 38 -4.947 28.648 -10.802 1.00 0.90 C ATOM 562 C SER A 38 -5.089 27.552 -9.745 1.00 0.92 C ATOM 563 O SER A 38 -5.834 27.704 -8.775 1.00 1.07 O ATOM 564 CB SER A 38 -5.909 28.383 -11.961 1.00 0.98 C ATOM 565 OG SER A 38 -5.791 29.381 -12.959 1.00 1.63 O ATOM 0 H SER A 38 -3.472 28.546 -12.291 1.00 0.80 H new ATOM 0 HA SER A 38 -5.197 29.603 -10.341 1.00 0.90 H new ATOM 0 HB2 SER A 38 -5.701 27.405 -12.394 1.00 0.98 H new ATOM 0 HB3 SER A 38 -6.933 28.356 -11.589 1.00 0.98 H new ATOM 0 HG SER A 38 -5.064 29.145 -13.573 1.00 1.63 H new ATOM 571 N ASN A 39 -4.356 26.457 -9.929 1.00 0.82 N ATOM 572 CA ASN A 39 -4.451 25.301 -9.041 1.00 0.87 C ATOM 573 C ASN A 39 -3.361 25.345 -7.974 1.00 0.80 C ATOM 574 O ASN A 39 -2.997 24.321 -7.387 1.00 0.87 O ATOM 575 CB ASN A 39 -4.316 24.030 -9.871 1.00 0.92 C ATOM 576 CG ASN A 39 -5.243 24.023 -11.067 1.00 1.28 C ATOM 577 OD1 ASN A 39 -6.401 24.442 -10.987 1.00 2.07 O ATOM 578 ND2 ASN A 39 -4.720 23.600 -12.197 1.00 1.54 N ATOM 0 H ASN A 39 -3.686 26.346 -10.690 1.00 0.82 H new ATOM 0 HA ASN A 39 -5.417 25.316 -8.536 1.00 0.87 H new ATOM 0 HB2 ASN A 39 -3.286 23.930 -10.212 1.00 0.92 H new ATOM 0 HB3 ASN A 39 -4.530 23.165 -9.244 1.00 0.92 H new ATOM 0 HD21 ASN A 39 -5.276 23.610 -13.052 1.00 1.54 H new ATOM 0 HD22 ASN A 39 -3.758 23.262 -12.219 1.00 1.54 H new ATOM 585 N TYR A 40 -2.850 26.540 -7.716 1.00 0.72 N ATOM 586 CA TYR A 40 -1.768 26.720 -6.761 1.00 0.66 C ATOM 587 C TYR A 40 -2.333 27.005 -5.371 1.00 0.73 C ATOM 588 O TYR A 40 -3.271 27.788 -5.222 1.00 0.87 O ATOM 589 CB TYR A 40 -0.862 27.866 -7.214 1.00 0.65 C ATOM 590 CG TYR A 40 0.462 27.932 -6.498 1.00 0.59 C ATOM 591 CD1 TYR A 40 1.524 27.143 -6.909 1.00 0.55 C ATOM 592 CD2 TYR A 40 0.656 28.791 -5.426 1.00 0.75 C ATOM 593 CE1 TYR A 40 2.743 27.203 -6.271 1.00 0.64 C ATOM 594 CE2 TYR A 40 1.877 28.854 -4.780 1.00 0.81 C ATOM 595 CZ TYR A 40 2.916 28.058 -5.209 1.00 0.74 C ATOM 596 OH TYR A 40 4.136 28.116 -4.577 1.00 0.91 O ATOM 0 H TYR A 40 -3.169 27.402 -8.157 1.00 0.72 H new ATOM 0 HA TYR A 40 -1.180 25.804 -6.713 1.00 0.66 H new ATOM 0 HB2 TYR A 40 -0.678 27.767 -8.284 1.00 0.65 H new ATOM 0 HB3 TYR A 40 -1.388 28.809 -7.067 1.00 0.65 H new ATOM 0 HD1 TYR A 40 1.394 26.470 -7.743 1.00 0.55 H new ATOM 0 HD2 TYR A 40 -0.157 29.419 -5.092 1.00 0.75 H new ATOM 0 HE1 TYR A 40 3.560 26.580 -6.604 1.00 0.64 H new ATOM 0 HE2 TYR A 40 2.015 29.523 -3.944 1.00 0.81 H new ATOM 0 HH TYR A 40 4.258 27.314 -4.028 1.00 0.91 H new ATOM 606 N MET A 41 -1.757 26.369 -4.362 1.00 0.69 N ATOM 607 CA MET A 41 -2.209 26.540 -2.991 1.00 0.79 C ATOM 608 C MET A 41 -1.201 27.369 -2.206 1.00 0.77 C ATOM 609 O MET A 41 -0.182 26.856 -1.742 1.00 0.77 O ATOM 610 CB MET A 41 -2.415 25.179 -2.316 1.00 0.87 C ATOM 611 CG MET A 41 -2.925 25.274 -0.885 1.00 1.35 C ATOM 612 SD MET A 41 -3.078 23.663 -0.084 1.00 1.73 S ATOM 613 CE MET A 41 -4.306 22.875 -1.125 1.00 1.39 C ATOM 0 H MET A 41 -0.972 25.727 -4.469 1.00 0.69 H new ATOM 0 HA MET A 41 -3.164 27.065 -3.005 1.00 0.79 H new ATOM 0 HB2 MET A 41 -3.121 24.595 -2.906 1.00 0.87 H new ATOM 0 HB3 MET A 41 -1.470 24.635 -2.320 1.00 0.87 H new ATOM 0 HG2 MET A 41 -2.247 25.900 -0.304 1.00 1.35 H new ATOM 0 HG3 MET A 41 -3.896 25.769 -0.883 1.00 1.35 H new ATOM 0 HE1 MET A 41 -4.739 22.025 -0.597 1.00 1.39 H new ATOM 0 HE2 MET A 41 -5.092 23.591 -1.367 1.00 1.39 H new ATOM 0 HE3 MET A 41 -3.835 22.529 -2.045 1.00 1.39 H new ATOM 623 N GLY A 42 -1.481 28.656 -2.089 1.00 0.87 N ATOM 624 CA GLY A 42 -0.596 29.557 -1.384 1.00 0.91 C ATOM 625 C GLY A 42 -0.677 30.955 -1.951 1.00 0.92 C ATOM 626 O GLY A 42 -1.762 31.426 -2.292 1.00 1.05 O ATOM 0 H GLY A 42 -2.316 29.097 -2.475 1.00 0.87 H new ATOM 0 HA2 GLY A 42 -0.858 29.575 -0.326 1.00 0.91 H new ATOM 0 HA3 GLY A 42 0.429 29.192 -1.453 1.00 0.91 H new ATOM 630 N ASN A 43 0.465 31.613 -2.063 1.00 0.89 N ATOM 631 CA ASN A 43 0.521 32.953 -2.626 1.00 0.91 C ATOM 632 C ASN A 43 1.507 33.008 -3.794 1.00 0.83 C ATOM 633 O ASN A 43 2.701 33.246 -3.617 1.00 0.83 O ATOM 634 CB ASN A 43 0.861 33.998 -1.548 1.00 1.02 C ATOM 635 CG ASN A 43 1.943 33.548 -0.578 1.00 1.48 C ATOM 636 OD1 ASN A 43 3.130 33.775 -0.799 1.00 2.14 O ATOM 637 ND2 ASN A 43 1.535 32.933 0.523 1.00 2.03 N ATOM 0 H ASN A 43 1.368 31.240 -1.771 1.00 0.89 H new ATOM 0 HA ASN A 43 -0.468 33.200 -3.013 1.00 0.91 H new ATOM 0 HB2 ASN A 43 1.183 34.918 -2.036 1.00 1.02 H new ATOM 0 HB3 ASN A 43 -0.043 34.234 -0.986 1.00 1.02 H new ATOM 0 HD21 ASN A 43 2.215 32.631 1.221 1.00 2.03 H new ATOM 0 HD22 ASN A 43 0.541 32.761 0.673 1.00 2.03 H new ATOM 644 N PRO A 44 1.005 32.777 -5.019 1.00 0.84 N ATOM 645 CA PRO A 44 1.840 32.691 -6.221 1.00 0.82 C ATOM 646 C PRO A 44 2.446 34.027 -6.649 1.00 0.88 C ATOM 647 O PRO A 44 3.443 34.055 -7.368 1.00 0.91 O ATOM 648 CB PRO A 44 0.874 32.184 -7.291 1.00 0.92 C ATOM 649 CG PRO A 44 -0.473 32.605 -6.825 1.00 1.01 C ATOM 650 CD PRO A 44 -0.423 32.566 -5.323 1.00 0.93 C ATOM 0 HA PRO A 44 2.702 32.047 -6.049 1.00 0.82 H new ATOM 0 HB2 PRO A 44 1.106 32.612 -8.266 1.00 0.92 H new ATOM 0 HB3 PRO A 44 0.934 31.101 -7.396 1.00 0.92 H new ATOM 0 HG2 PRO A 44 -0.714 33.607 -7.181 1.00 1.01 H new ATOM 0 HG3 PRO A 44 -1.245 31.937 -7.207 1.00 1.01 H new ATOM 0 HD2 PRO A 44 -1.046 33.343 -4.881 1.00 0.93 H new ATOM 0 HD3 PRO A 44 -0.779 31.612 -4.934 1.00 0.93 H new ATOM 658 N ASN A 45 1.855 35.132 -6.210 1.00 0.94 N ATOM 659 CA ASN A 45 2.364 36.451 -6.578 1.00 1.05 C ATOM 660 C ASN A 45 3.539 36.828 -5.685 1.00 1.04 C ATOM 661 O ASN A 45 4.269 37.782 -5.955 1.00 1.15 O ATOM 662 CB ASN A 45 1.261 37.507 -6.477 1.00 1.15 C ATOM 663 CG ASN A 45 1.649 38.834 -7.116 1.00 1.43 C ATOM 664 OD1 ASN A 45 2.377 38.780 -8.225 1.00 2.08 O flip ATOM 665 ND2 ASN A 45 1.275 39.901 -6.629 1.00 1.88 N flip ATOM 0 H ASN A 45 1.033 35.144 -5.606 1.00 0.94 H new ATOM 0 HA ASN A 45 2.705 36.411 -7.613 1.00 1.05 H new ATOM 0 HB2 ASN A 45 0.358 37.129 -6.957 1.00 1.15 H new ATOM 0 HB3 ASN A 45 1.019 37.672 -5.427 1.00 1.15 H new ATOM 0 HD21 ASN A 45 0.717 39.904 -5.775 1.00 1.88 H new ATOM 0 HD22 ASN A 45 1.523 40.782 -7.079 1.00 1.88 H new ATOM 672 N TRP A 46 3.730 36.057 -4.626 1.00 0.98 N ATOM 673 CA TRP A 46 4.832 36.289 -3.710 1.00 1.04 C ATOM 674 C TRP A 46 5.908 35.229 -3.901 1.00 0.96 C ATOM 675 O TRP A 46 6.741 35.001 -3.023 1.00 1.02 O ATOM 676 CB TRP A 46 4.342 36.286 -2.267 1.00 1.10 C ATOM 677 CG TRP A 46 3.515 37.481 -1.917 1.00 1.28 C ATOM 678 CD1 TRP A 46 2.177 37.627 -2.108 1.00 1.30 C ATOM 679 CD2 TRP A 46 3.975 38.695 -1.318 1.00 1.56 C ATOM 680 NE1 TRP A 46 1.768 38.856 -1.655 1.00 1.52 N ATOM 681 CE2 TRP A 46 2.855 39.533 -1.166 1.00 1.67 C ATOM 682 CE3 TRP A 46 5.225 39.153 -0.894 1.00 1.80 C ATOM 683 CZ2 TRP A 46 2.949 40.806 -0.608 1.00 1.97 C ATOM 684 CZ3 TRP A 46 5.317 40.416 -0.339 1.00 2.13 C ATOM 685 CH2 TRP A 46 4.185 41.227 -0.198 1.00 2.18 C ATOM 0 H TRP A 46 3.135 35.265 -4.381 1.00 0.98 H new ATOM 0 HA TRP A 46 5.259 37.268 -3.927 1.00 1.04 H new ATOM 0 HB2 TRP A 46 3.755 35.384 -2.092 1.00 1.10 H new ATOM 0 HB3 TRP A 46 5.202 36.241 -1.599 1.00 1.10 H new ATOM 0 HD1 TRP A 46 1.530 36.884 -2.551 1.00 1.30 H new ATOM 0 HE1 TRP A 46 0.811 39.208 -1.678 1.00 1.52 H new ATOM 0 HE3 TRP A 46 6.103 38.532 -0.998 1.00 1.80 H new ATOM 0 HZ2 TRP A 46 2.079 41.437 -0.503 1.00 1.97 H new ATOM 0 HZ3 TRP A 46 6.278 40.783 -0.009 1.00 2.13 H new ATOM 0 HH2 TRP A 46 4.289 42.207 0.244 1.00 2.18 H new ATOM 696 N LEU A 47 5.887 34.590 -5.058 1.00 0.85 N ATOM 697 CA LEU A 47 6.852 33.553 -5.379 1.00 0.78 C ATOM 698 C LEU A 47 8.134 34.141 -5.947 1.00 0.82 C ATOM 699 O LEU A 47 8.266 35.358 -6.089 1.00 0.92 O ATOM 700 CB LEU A 47 6.256 32.562 -6.379 1.00 0.68 C ATOM 701 CG LEU A 47 5.332 31.509 -5.781 1.00 0.62 C ATOM 702 CD1 LEU A 47 4.698 30.675 -6.883 1.00 0.57 C ATOM 703 CD2 LEU A 47 6.102 30.618 -4.825 1.00 0.66 C ATOM 0 H LEU A 47 5.207 34.773 -5.796 1.00 0.85 H new ATOM 0 HA LEU A 47 7.095 33.033 -4.452 1.00 0.78 H new ATOM 0 HB2 LEU A 47 5.702 33.121 -7.133 1.00 0.68 H new ATOM 0 HB3 LEU A 47 7.072 32.055 -6.893 1.00 0.68 H new ATOM 0 HG LEU A 47 4.540 32.014 -5.228 1.00 0.62 H new ATOM 0 HD11 LEU A 47 4.040 29.927 -6.440 1.00 0.57 H new ATOM 0 HD12 LEU A 47 4.119 31.322 -7.542 1.00 0.57 H new ATOM 0 HD13 LEU A 47 5.479 30.177 -7.458 1.00 0.57 H new ATOM 0 HD21 LEU A 47 5.430 29.870 -4.404 1.00 0.66 H new ATOM 0 HD22 LEU A 47 6.909 30.120 -5.362 1.00 0.66 H new ATOM 0 HD23 LEU A 47 6.520 31.223 -4.021 1.00 0.66 H new ATOM 715 N GLU A 48 9.067 33.259 -6.275 1.00 0.81 N ATOM 716 CA GLU A 48 10.349 33.650 -6.834 1.00 0.89 C ATOM 717 C GLU A 48 10.887 32.548 -7.727 1.00 0.71 C ATOM 718 O GLU A 48 10.454 31.397 -7.632 1.00 0.62 O ATOM 719 CB GLU A 48 11.361 33.940 -5.724 1.00 1.15 C ATOM 720 CG GLU A 48 11.426 35.404 -5.327 1.00 1.48 C ATOM 721 CD GLU A 48 11.920 36.287 -6.459 1.00 1.86 C ATOM 722 OE1 GLU A 48 12.332 35.747 -7.511 1.00 2.35 O ATOM 723 OE2 GLU A 48 11.914 37.528 -6.299 1.00 2.13 O ATOM 0 H GLU A 48 8.955 32.252 -6.160 1.00 0.81 H new ATOM 0 HA GLU A 48 10.199 34.556 -7.421 1.00 0.89 H new ATOM 0 HB2 GLU A 48 11.106 33.345 -4.847 1.00 1.15 H new ATOM 0 HB3 GLU A 48 12.349 33.617 -6.051 1.00 1.15 H new ATOM 0 HG2 GLU A 48 10.437 35.738 -5.014 1.00 1.48 H new ATOM 0 HG3 GLU A 48 12.087 35.516 -4.467 1.00 1.48 H new ATOM 730 N LEU A 49 11.824 32.895 -8.590 1.00 0.75 N ATOM 731 CA LEU A 49 12.470 31.903 -9.425 1.00 0.67 C ATOM 732 C LEU A 49 13.531 31.183 -8.607 1.00 0.67 C ATOM 733 O LEU A 49 14.535 31.778 -8.204 1.00 0.73 O ATOM 734 CB LEU A 49 13.091 32.554 -10.663 1.00 0.76 C ATOM 735 CG LEU A 49 12.113 33.329 -11.553 1.00 0.85 C ATOM 736 CD1 LEU A 49 12.831 33.930 -12.751 1.00 1.40 C ATOM 737 CD2 LEU A 49 10.976 32.428 -12.007 1.00 1.11 C ATOM 0 H LEU A 49 12.152 33.851 -8.730 1.00 0.75 H new ATOM 0 HA LEU A 49 11.727 31.184 -9.770 1.00 0.67 H new ATOM 0 HB2 LEU A 49 13.879 33.234 -10.340 1.00 0.76 H new ATOM 0 HB3 LEU A 49 13.566 31.777 -11.263 1.00 0.76 H new ATOM 0 HG LEU A 49 11.692 34.145 -10.966 1.00 0.85 H new ATOM 0 HD11 LEU A 49 12.116 34.475 -13.368 1.00 1.40 H new ATOM 0 HD12 LEU A 49 13.607 34.613 -12.405 1.00 1.40 H new ATOM 0 HD13 LEU A 49 13.285 33.133 -13.340 1.00 1.40 H new ATOM 0 HD21 LEU A 49 10.292 32.995 -12.638 1.00 1.11 H new ATOM 0 HD22 LEU A 49 11.380 31.589 -12.573 1.00 1.11 H new ATOM 0 HD23 LEU A 49 10.439 32.052 -11.136 1.00 1.11 H new ATOM 749 N GLY A 50 13.309 29.903 -8.375 1.00 0.66 N ATOM 750 CA GLY A 50 14.163 29.146 -7.492 1.00 0.72 C ATOM 751 C GLY A 50 13.482 28.832 -6.173 1.00 0.69 C ATOM 752 O GLY A 50 14.109 28.290 -5.266 1.00 0.75 O ATOM 0 H GLY A 50 12.544 29.370 -8.788 1.00 0.66 H new ATOM 0 HA2 GLY A 50 14.455 28.216 -7.980 1.00 0.72 H new ATOM 0 HA3 GLY A 50 15.078 29.708 -7.303 1.00 0.72 H new ATOM 756 N GLN A 51 12.202 29.193 -6.063 1.00 0.62 N ATOM 757 CA GLN A 51 11.434 28.934 -4.847 1.00 0.60 C ATOM 758 C GLN A 51 11.044 27.462 -4.740 1.00 0.56 C ATOM 759 O GLN A 51 10.516 26.876 -5.688 1.00 0.53 O ATOM 760 CB GLN A 51 10.176 29.809 -4.801 1.00 0.59 C ATOM 761 CG GLN A 51 9.259 29.491 -3.625 1.00 0.60 C ATOM 762 CD GLN A 51 9.909 29.743 -2.277 1.00 0.70 C ATOM 763 OE1 GLN A 51 10.713 30.661 -2.120 1.00 1.06 O ATOM 764 NE2 GLN A 51 9.590 28.905 -1.302 1.00 0.87 N ATOM 0 H GLN A 51 11.678 29.664 -6.800 1.00 0.62 H new ATOM 0 HA GLN A 51 12.072 29.185 -3.999 1.00 0.60 H new ATOM 0 HB2 GLN A 51 10.473 30.856 -4.748 1.00 0.59 H new ATOM 0 HB3 GLN A 51 9.620 29.682 -5.730 1.00 0.59 H new ATOM 0 HG2 GLN A 51 8.355 30.094 -3.704 1.00 0.60 H new ATOM 0 HG3 GLN A 51 8.952 28.447 -3.684 1.00 0.60 H new ATOM 0 HE21 GLN A 51 8.919 28.156 -1.472 1.00 0.87 H new ATOM 0 HE22 GLN A 51 10.016 29.008 -0.381 1.00 0.87 H new ATOM 773 N GLU A 52 11.299 26.894 -3.571 1.00 0.57 N ATOM 774 CA GLU A 52 11.021 25.490 -3.293 1.00 0.55 C ATOM 775 C GLU A 52 9.531 25.263 -3.011 1.00 0.50 C ATOM 776 O GLU A 52 8.932 25.956 -2.185 1.00 0.55 O ATOM 777 CB GLU A 52 11.874 25.051 -2.099 1.00 0.63 C ATOM 778 CG GLU A 52 13.365 25.220 -2.358 1.00 1.15 C ATOM 779 CD GLU A 52 14.220 25.088 -1.109 1.00 1.94 C ATOM 780 OE1 GLU A 52 14.096 24.061 -0.404 1.00 2.44 O ATOM 781 OE2 GLU A 52 15.015 26.005 -0.822 1.00 2.51 O ATOM 0 H GLU A 52 11.707 27.396 -2.783 1.00 0.57 H new ATOM 0 HA GLU A 52 11.275 24.892 -4.168 1.00 0.55 H new ATOM 0 HB2 GLU A 52 11.592 25.632 -1.221 1.00 0.63 H new ATOM 0 HB3 GLU A 52 11.664 24.006 -1.870 1.00 0.63 H new ATOM 0 HG2 GLU A 52 13.685 24.476 -3.087 1.00 1.15 H new ATOM 0 HG3 GLU A 52 13.539 26.199 -2.805 1.00 1.15 H new ATOM 788 N VAL A 53 8.939 24.301 -3.720 1.00 0.43 N ATOM 789 CA VAL A 53 7.519 23.971 -3.568 1.00 0.40 C ATOM 790 C VAL A 53 7.304 22.457 -3.695 1.00 0.41 C ATOM 791 O VAL A 53 8.165 21.740 -4.217 1.00 0.44 O ATOM 792 CB VAL A 53 6.645 24.701 -4.628 1.00 0.37 C ATOM 793 CG1 VAL A 53 6.655 26.212 -4.413 1.00 0.41 C ATOM 794 CG2 VAL A 53 7.105 24.349 -6.039 1.00 0.37 C ATOM 0 H VAL A 53 9.426 23.731 -4.412 1.00 0.43 H new ATOM 0 HA VAL A 53 7.214 24.305 -2.576 1.00 0.40 H new ATOM 0 HB VAL A 53 5.617 24.358 -4.506 1.00 0.37 H new ATOM 0 HG11 VAL A 53 6.035 26.691 -5.170 1.00 0.41 H new ATOM 0 HG12 VAL A 53 6.261 26.441 -3.423 1.00 0.41 H new ATOM 0 HG13 VAL A 53 7.677 26.584 -4.492 1.00 0.41 H new ATOM 0 HG21 VAL A 53 6.481 24.870 -6.766 1.00 0.37 H new ATOM 0 HG22 VAL A 53 8.144 24.652 -6.169 1.00 0.37 H new ATOM 0 HG23 VAL A 53 7.019 23.273 -6.192 1.00 0.37 H new ATOM 804 N GLU A 54 6.166 21.977 -3.210 1.00 0.47 N ATOM 805 CA GLU A 54 5.807 20.566 -3.343 1.00 0.54 C ATOM 806 C GLU A 54 4.443 20.442 -3.999 1.00 0.52 C ATOM 807 O GLU A 54 3.582 21.304 -3.819 1.00 0.54 O ATOM 808 CB GLU A 54 5.785 19.860 -1.985 1.00 0.72 C ATOM 809 CG GLU A 54 4.759 20.429 -1.016 1.00 0.81 C ATOM 810 CD GLU A 54 4.452 19.491 0.133 1.00 1.05 C ATOM 811 OE1 GLU A 54 5.332 19.287 0.993 1.00 1.49 O ATOM 812 OE2 GLU A 54 3.322 18.963 0.187 1.00 1.30 O ATOM 0 H GLU A 54 5.473 22.543 -2.720 1.00 0.47 H new ATOM 0 HA GLU A 54 6.564 20.087 -3.963 1.00 0.54 H new ATOM 0 HB2 GLU A 54 5.578 18.801 -2.139 1.00 0.72 H new ATOM 0 HB3 GLU A 54 6.775 19.929 -1.534 1.00 0.72 H new ATOM 0 HG2 GLU A 54 5.127 21.375 -0.618 1.00 0.81 H new ATOM 0 HG3 GLU A 54 3.838 20.648 -1.556 1.00 0.81 H new ATOM 819 N TYR A 55 4.239 19.376 -4.757 1.00 0.54 N ATOM 820 CA TYR A 55 2.992 19.210 -5.482 1.00 0.58 C ATOM 821 C TYR A 55 2.795 17.781 -5.964 1.00 0.64 C ATOM 822 O TYR A 55 3.672 16.932 -5.814 1.00 0.66 O ATOM 823 CB TYR A 55 2.947 20.171 -6.670 1.00 0.55 C ATOM 824 CG TYR A 55 4.032 19.960 -7.704 1.00 0.52 C ATOM 825 CD1 TYR A 55 5.358 20.279 -7.438 1.00 0.54 C ATOM 826 CD2 TYR A 55 3.718 19.467 -8.955 1.00 0.63 C ATOM 827 CE1 TYR A 55 6.339 20.105 -8.394 1.00 0.56 C ATOM 828 CE2 TYR A 55 4.687 19.288 -9.919 1.00 0.65 C ATOM 829 CZ TYR A 55 5.998 19.612 -9.634 1.00 0.57 C ATOM 830 OH TYR A 55 6.970 19.436 -10.592 1.00 0.63 O ATOM 0 H TYR A 55 4.913 18.621 -4.885 1.00 0.54 H new ATOM 0 HA TYR A 55 2.180 19.438 -4.792 1.00 0.58 H new ATOM 0 HB2 TYR A 55 1.977 20.076 -7.158 1.00 0.55 H new ATOM 0 HB3 TYR A 55 3.017 21.192 -6.295 1.00 0.55 H new ATOM 0 HD1 TYR A 55 5.626 20.670 -6.467 1.00 0.54 H new ATOM 0 HD2 TYR A 55 2.692 19.217 -9.183 1.00 0.63 H new ATOM 0 HE1 TYR A 55 7.366 20.354 -8.171 1.00 0.56 H new ATOM 0 HE2 TYR A 55 4.422 18.897 -10.890 1.00 0.65 H new ATOM 0 HH TYR A 55 7.345 18.534 -10.516 1.00 0.63 H new ATOM 840 N THR A 56 1.630 17.532 -6.548 1.00 0.72 N ATOM 841 CA THR A 56 1.289 16.217 -7.063 1.00 0.82 C ATOM 842 C THR A 56 0.772 16.332 -8.499 1.00 0.85 C ATOM 843 O THR A 56 0.525 17.438 -8.990 1.00 0.85 O ATOM 844 CB THR A 56 0.233 15.524 -6.174 1.00 0.88 C ATOM 845 OG1 THR A 56 -0.877 16.407 -5.950 1.00 0.84 O ATOM 846 CG2 THR A 56 0.835 15.098 -4.837 1.00 0.94 C ATOM 0 H THR A 56 0.900 18.233 -6.676 1.00 0.72 H new ATOM 0 HA THR A 56 2.192 15.607 -7.054 1.00 0.82 H new ATOM 0 HB THR A 56 -0.114 14.631 -6.693 1.00 0.88 H new ATOM 0 HG1 THR A 56 -1.611 16.169 -6.554 1.00 0.84 H new ATOM 0 HG21 THR A 56 0.069 14.613 -4.231 1.00 0.94 H new ATOM 0 HG22 THR A 56 1.654 14.401 -5.013 1.00 0.94 H new ATOM 0 HG23 THR A 56 1.211 15.976 -4.311 1.00 0.94 H new ATOM 854 N LEU A 57 0.599 15.202 -9.169 1.00 0.96 N ATOM 855 CA LEU A 57 0.177 15.204 -10.564 1.00 1.03 C ATOM 856 C LEU A 57 -1.246 14.690 -10.707 1.00 1.12 C ATOM 857 O LEU A 57 -1.635 13.722 -10.053 1.00 1.19 O ATOM 858 CB LEU A 57 1.123 14.349 -11.410 1.00 1.09 C ATOM 859 CG LEU A 57 2.531 14.912 -11.594 1.00 1.04 C ATOM 860 CD1 LEU A 57 3.396 13.912 -12.348 1.00 1.13 C ATOM 861 CD2 LEU A 57 2.479 16.251 -12.326 1.00 1.03 C ATOM 0 H LEU A 57 0.744 14.274 -8.771 1.00 0.96 H new ATOM 0 HA LEU A 57 0.210 16.234 -10.920 1.00 1.03 H new ATOM 0 HB2 LEU A 57 1.202 13.363 -10.951 1.00 1.09 H new ATOM 0 HB3 LEU A 57 0.675 14.208 -12.394 1.00 1.09 H new ATOM 0 HG LEU A 57 2.976 15.083 -10.614 1.00 1.04 H new ATOM 0 HD11 LEU A 57 4.398 14.321 -12.475 1.00 1.13 H new ATOM 0 HD12 LEU A 57 3.453 12.981 -11.783 1.00 1.13 H new ATOM 0 HD13 LEU A 57 2.957 13.716 -13.326 1.00 1.13 H new ATOM 0 HD21 LEU A 57 3.491 16.638 -12.449 1.00 1.03 H new ATOM 0 HD22 LEU A 57 2.022 16.112 -13.306 1.00 1.03 H new ATOM 0 HD23 LEU A 57 1.887 16.960 -11.747 1.00 1.03 H new ATOM 873 N ALA A 58 -2.012 15.344 -11.563 1.00 1.17 N ATOM 874 CA ALA A 58 -3.369 14.915 -11.853 1.00 1.30 C ATOM 875 C ALA A 58 -3.369 13.920 -13.008 1.00 1.40 C ATOM 876 O ALA A 58 -3.513 14.297 -14.167 1.00 2.04 O ATOM 877 CB ALA A 58 -4.249 16.115 -12.171 1.00 1.33 C ATOM 0 H ALA A 58 -1.716 16.177 -12.071 1.00 1.17 H new ATOM 0 HA ALA A 58 -3.778 14.420 -10.972 1.00 1.30 H new ATOM 0 HB1 ALA A 58 -5.262 15.776 -12.386 1.00 1.33 H new ATOM 0 HB2 ALA A 58 -4.266 16.791 -11.316 1.00 1.33 H new ATOM 0 HB3 ALA A 58 -3.850 16.639 -13.039 1.00 1.33 H new ATOM 1026 N LEU A 70 -0.496 16.890 -18.297 1.00 1.49 N ATOM 1027 CA LEU A 70 -1.627 17.436 -17.567 1.00 1.50 C ATOM 1028 C LEU A 70 -1.117 18.418 -16.526 1.00 1.25 C ATOM 1029 O LEU A 70 0.027 18.306 -16.085 1.00 1.15 O ATOM 1030 CB LEU A 70 -2.430 16.324 -16.874 1.00 1.71 C ATOM 1031 CG LEU A 70 -2.566 15.012 -17.652 1.00 1.88 C ATOM 1032 CD1 LEU A 70 -1.398 14.093 -17.355 1.00 2.30 C ATOM 1033 CD2 LEU A 70 -3.883 14.324 -17.330 1.00 2.29 C ATOM 0 HA LEU A 70 -2.286 17.941 -18.273 1.00 1.50 H new ATOM 0 HB2 LEU A 70 -1.960 16.108 -15.914 1.00 1.71 H new ATOM 0 HB3 LEU A 70 -3.430 16.703 -16.661 1.00 1.71 H new ATOM 0 HG LEU A 70 -2.558 15.247 -18.716 1.00 1.88 H new ATOM 0 HD11 LEU A 70 -1.512 13.166 -17.917 1.00 2.30 H new ATOM 0 HD12 LEU A 70 -0.468 14.581 -17.646 1.00 2.30 H new ATOM 0 HD13 LEU A 70 -1.373 13.870 -16.288 1.00 2.30 H new ATOM 0 HD21 LEU A 70 -3.956 13.395 -17.895 1.00 2.29 H new ATOM 0 HD22 LEU A 70 -3.928 14.105 -16.263 1.00 2.29 H new ATOM 0 HD23 LEU A 70 -4.711 14.979 -17.601 1.00 2.29 H new ATOM 1045 N PRO A 71 -1.941 19.399 -16.131 1.00 1.22 N ATOM 1046 CA PRO A 71 -1.567 20.366 -15.101 1.00 1.05 C ATOM 1047 C PRO A 71 -1.368 19.709 -13.737 1.00 0.97 C ATOM 1048 O PRO A 71 -1.980 18.684 -13.424 1.00 1.14 O ATOM 1049 CB PRO A 71 -2.752 21.340 -15.061 1.00 1.18 C ATOM 1050 CG PRO A 71 -3.894 20.583 -15.646 1.00 1.38 C ATOM 1051 CD PRO A 71 -3.294 19.653 -16.660 1.00 1.43 C ATOM 0 HA PRO A 71 -0.617 20.850 -15.328 1.00 1.05 H new ATOM 0 HB2 PRO A 71 -2.969 21.655 -14.040 1.00 1.18 H new ATOM 0 HB3 PRO A 71 -2.541 22.242 -15.635 1.00 1.18 H new ATOM 0 HG2 PRO A 71 -4.430 20.028 -14.876 1.00 1.38 H new ATOM 0 HG3 PRO A 71 -4.612 21.258 -16.112 1.00 1.38 H new ATOM 0 HD2 PRO A 71 -3.870 18.732 -16.751 1.00 1.43 H new ATOM 0 HD3 PRO A 71 -3.260 20.106 -17.651 1.00 1.43 H new ATOM 1059 N ALA A 72 -0.494 20.297 -12.941 1.00 0.80 N ATOM 1060 CA ALA A 72 -0.215 19.791 -11.612 1.00 0.74 C ATOM 1061 C ALA A 72 -1.166 20.395 -10.586 1.00 0.72 C ATOM 1062 O ALA A 72 -1.428 21.599 -10.603 1.00 0.82 O ATOM 1063 CB ALA A 72 1.222 20.094 -11.242 1.00 0.70 C ATOM 0 H ALA A 72 0.037 21.130 -13.195 1.00 0.80 H new ATOM 0 HA ALA A 72 -0.366 18.711 -11.613 1.00 0.74 H new ATOM 0 HB1 ALA A 72 1.429 19.712 -10.242 1.00 0.70 H new ATOM 0 HB2 ALA A 72 1.891 19.616 -11.958 1.00 0.70 H new ATOM 0 HB3 ALA A 72 1.383 21.172 -11.259 1.00 0.70 H new ATOM 1069 N GLU A 73 -1.660 19.551 -9.687 1.00 0.74 N ATOM 1070 CA GLU A 73 -2.597 19.977 -8.654 1.00 0.77 C ATOM 1071 C GLU A 73 -1.944 19.890 -7.277 1.00 0.69 C ATOM 1072 O GLU A 73 -0.893 19.256 -7.116 1.00 0.71 O ATOM 1073 CB GLU A 73 -3.853 19.094 -8.662 1.00 0.94 C ATOM 1074 CG GLU A 73 -4.583 19.046 -9.996 1.00 1.28 C ATOM 1075 CD GLU A 73 -5.134 20.387 -10.419 1.00 1.84 C ATOM 1076 OE1 GLU A 73 -5.918 20.976 -9.650 1.00 2.30 O ATOM 1077 OE2 GLU A 73 -4.776 20.863 -11.518 1.00 2.28 O ATOM 0 H GLU A 73 -1.424 18.559 -9.653 1.00 0.74 H new ATOM 0 HA GLU A 73 -2.879 21.009 -8.864 1.00 0.77 H new ATOM 0 HB2 GLU A 73 -3.570 18.080 -8.380 1.00 0.94 H new ATOM 0 HB3 GLU A 73 -4.541 19.457 -7.899 1.00 0.94 H new ATOM 0 HG2 GLU A 73 -3.900 18.682 -10.764 1.00 1.28 H new ATOM 0 HG3 GLU A 73 -5.401 18.328 -9.930 1.00 1.28 H new ATOM 1084 N ASN A 74 -2.582 20.523 -6.290 1.00 0.68 N ATOM 1085 CA ASN A 74 -2.135 20.463 -4.894 1.00 0.69 C ATOM 1086 C ASN A 74 -0.754 21.085 -4.723 1.00 0.59 C ATOM 1087 O ASN A 74 -0.002 20.703 -3.829 1.00 0.66 O ATOM 1088 CB ASN A 74 -2.109 19.012 -4.395 1.00 0.81 C ATOM 1089 CG ASN A 74 -3.490 18.386 -4.307 1.00 1.39 C ATOM 1090 OD1 ASN A 74 -4.474 19.056 -3.993 1.00 1.81 O ATOM 1091 ND2 ASN A 74 -3.570 17.095 -4.589 1.00 2.01 N ATOM 0 H ASN A 74 -3.418 21.089 -6.433 1.00 0.68 H new ATOM 0 HA ASN A 74 -2.848 21.036 -4.301 1.00 0.69 H new ATOM 0 HB2 ASN A 74 -1.488 18.415 -5.064 1.00 0.81 H new ATOM 0 HB3 ASN A 74 -1.639 18.981 -3.412 1.00 0.81 H new ATOM 0 HD21 ASN A 74 -4.472 16.619 -4.550 1.00 2.01 H new ATOM 0 HD22 ASN A 74 -2.730 16.576 -4.845 1.00 2.01 H new ATOM 1098 N VAL A 75 -0.435 22.059 -5.562 1.00 0.66 N ATOM 1099 CA VAL A 75 0.872 22.697 -5.521 1.00 0.58 C ATOM 1100 C VAL A 75 0.968 23.624 -4.317 1.00 0.59 C ATOM 1101 O VAL A 75 0.342 24.681 -4.290 1.00 0.64 O ATOM 1102 CB VAL A 75 1.162 23.498 -6.810 1.00 0.56 C ATOM 1103 CG1 VAL A 75 2.631 23.890 -6.883 1.00 0.72 C ATOM 1104 CG2 VAL A 75 0.754 22.710 -8.049 1.00 0.80 C ATOM 0 H VAL A 75 -1.062 22.424 -6.279 1.00 0.66 H new ATOM 0 HA VAL A 75 1.616 21.905 -5.439 1.00 0.58 H new ATOM 0 HB VAL A 75 0.565 24.409 -6.779 1.00 0.56 H new ATOM 0 HG11 VAL A 75 2.812 24.453 -7.799 1.00 0.72 H new ATOM 0 HG12 VAL A 75 2.886 24.507 -6.021 1.00 0.72 H new ATOM 0 HG13 VAL A 75 3.248 22.991 -6.882 1.00 0.72 H new ATOM 0 HG21 VAL A 75 0.969 23.298 -8.941 1.00 0.80 H new ATOM 0 HG22 VAL A 75 1.314 21.775 -8.086 1.00 0.80 H new ATOM 0 HG23 VAL A 75 -0.313 22.492 -8.007 1.00 0.80 H new ATOM 1114 N ARG A 76 1.748 23.222 -3.325 1.00 0.58 N ATOM 1115 CA ARG A 76 1.882 23.991 -2.098 1.00 0.62 C ATOM 1116 C ARG A 76 3.286 24.564 -1.984 1.00 0.55 C ATOM 1117 O ARG A 76 4.190 24.170 -2.719 1.00 0.52 O ATOM 1118 CB ARG A 76 1.581 23.124 -0.869 1.00 0.73 C ATOM 1119 CG ARG A 76 0.225 22.437 -0.911 1.00 1.28 C ATOM 1120 CD ARG A 76 -0.112 21.784 0.421 1.00 1.58 C ATOM 1121 NE ARG A 76 0.901 20.810 0.836 1.00 2.10 N ATOM 1122 CZ ARG A 76 1.035 20.360 2.084 1.00 2.75 C ATOM 1123 NH1 ARG A 76 0.230 20.799 3.043 1.00 3.11 N ATOM 1124 NH2 ARG A 76 1.980 19.480 2.368 1.00 3.51 N ATOM 0 H ARG A 76 2.300 22.364 -3.347 1.00 0.58 H new ATOM 0 HA ARG A 76 1.160 24.807 -2.135 1.00 0.62 H new ATOM 0 HB2 ARG A 76 2.358 22.365 -0.774 1.00 0.73 H new ATOM 0 HB3 ARG A 76 1.633 23.747 0.024 1.00 0.73 H new ATOM 0 HG2 ARG A 76 -0.545 23.165 -1.165 1.00 1.28 H new ATOM 0 HG3 ARG A 76 0.223 21.683 -1.698 1.00 1.28 H new ATOM 0 HD2 ARG A 76 -0.207 22.554 1.187 1.00 1.58 H new ATOM 0 HD3 ARG A 76 -1.080 21.288 0.345 1.00 1.58 H new ATOM 0 HE ARG A 76 1.543 20.455 0.127 1.00 2.10 H new ATOM 0 HH11 ARG A 76 -0.495 21.483 2.827 1.00 3.11 H new ATOM 0 HH12 ARG A 76 0.336 20.452 3.996 1.00 3.11 H new ATOM 0 HH21 ARG A 76 2.604 19.147 1.633 1.00 3.51 H new ATOM 0 HH22 ARG A 76 2.085 19.134 3.322 1.00 3.51 H new ATOM 1138 N MET A 77 3.462 25.481 -1.049 1.00 0.63 N ATOM 1139 CA MET A 77 4.733 26.166 -0.877 1.00 0.60 C ATOM 1140 C MET A 77 5.546 25.542 0.245 1.00 0.70 C ATOM 1141 O MET A 77 5.013 25.231 1.310 1.00 0.91 O ATOM 1142 CB MET A 77 4.489 27.648 -0.589 1.00 0.72 C ATOM 1143 CG MET A 77 3.711 28.340 -1.692 1.00 0.80 C ATOM 1144 SD MET A 77 3.248 30.033 -1.280 1.00 1.12 S ATOM 1145 CE MET A 77 4.858 30.801 -1.113 1.00 0.86 C ATOM 0 H MET A 77 2.736 25.770 -0.393 1.00 0.63 H new ATOM 0 HA MET A 77 5.303 26.066 -1.801 1.00 0.60 H new ATOM 0 HB2 MET A 77 3.945 27.746 0.350 1.00 0.72 H new ATOM 0 HB3 MET A 77 5.447 28.150 -0.456 1.00 0.72 H new ATOM 0 HG2 MET A 77 4.311 28.345 -2.602 1.00 0.80 H new ATOM 0 HG3 MET A 77 2.810 27.766 -1.907 1.00 0.80 H new ATOM 0 HE1 MET A 77 4.775 31.868 -1.319 1.00 0.86 H new ATOM 0 HE2 MET A 77 5.227 30.655 -0.098 1.00 0.86 H new ATOM 0 HE3 MET A 77 5.552 30.348 -1.821 1.00 0.86 H new ATOM 1155 N LEU A 78 6.831 25.357 -0.003 1.00 0.65 N ATOM 1156 CA LEU A 78 7.729 24.802 0.994 1.00 0.83 C ATOM 1157 C LEU A 78 8.659 25.877 1.532 1.00 0.83 C ATOM 1158 O LEU A 78 8.915 26.878 0.859 1.00 0.93 O ATOM 1159 CB LEU A 78 8.572 23.674 0.395 1.00 0.99 C ATOM 1160 CG LEU A 78 7.854 22.348 0.159 1.00 1.05 C ATOM 1161 CD1 LEU A 78 8.808 21.337 -0.459 1.00 1.49 C ATOM 1162 CD2 LEU A 78 7.269 21.812 1.458 1.00 1.67 C ATOM 0 H LEU A 78 7.277 25.585 -0.891 1.00 0.65 H new ATOM 0 HA LEU A 78 7.119 24.407 1.806 1.00 0.83 H new ATOM 0 HB2 LEU A 78 8.978 24.018 -0.556 1.00 0.99 H new ATOM 0 HB3 LEU A 78 9.419 23.492 1.056 1.00 0.99 H new ATOM 0 HG LEU A 78 7.031 22.519 -0.535 1.00 1.05 H new ATOM 0 HD11 LEU A 78 8.284 20.395 -0.623 1.00 1.49 H new ATOM 0 HD12 LEU A 78 9.175 21.718 -1.412 1.00 1.49 H new ATOM 0 HD13 LEU A 78 9.649 21.172 0.214 1.00 1.49 H new ATOM 0 HD21 LEU A 78 6.762 20.866 1.266 1.00 1.67 H new ATOM 0 HD22 LEU A 78 8.070 21.654 2.180 1.00 1.67 H new ATOM 0 HD23 LEU A 78 6.555 22.531 1.860 1.00 1.67 H new ATOM 1174 N PRO A 79 9.164 25.694 2.758 1.00 1.15 N ATOM 1175 CA PRO A 79 10.228 26.531 3.293 1.00 1.27 C ATOM 1176 C PRO A 79 11.547 26.214 2.606 1.00 1.13 C ATOM 1177 O PRO A 79 11.838 25.048 2.321 1.00 1.59 O ATOM 1178 CB PRO A 79 10.293 26.157 4.780 1.00 1.97 C ATOM 1179 CG PRO A 79 9.093 25.306 5.035 1.00 2.15 C ATOM 1180 CD PRO A 79 8.743 24.674 3.722 1.00 1.65 C ATOM 0 HA PRO A 79 10.043 27.594 3.138 1.00 1.27 H new ATOM 0 HB2 PRO A 79 11.212 25.617 5.008 1.00 1.97 H new ATOM 0 HB3 PRO A 79 10.282 27.047 5.409 1.00 1.97 H new ATOM 0 HG2 PRO A 79 9.307 24.547 5.788 1.00 2.15 H new ATOM 0 HG3 PRO A 79 8.264 25.905 5.412 1.00 2.15 H new ATOM 0 HD2 PRO A 79 9.270 23.732 3.572 1.00 1.65 H new ATOM 0 HD3 PRO A 79 7.677 24.459 3.646 1.00 1.65 H new ATOM 1188 N LYS A 80 12.337 27.242 2.334 1.00 1.09 N ATOM 1189 CA LYS A 80 13.594 27.060 1.627 1.00 1.37 C ATOM 1190 C LYS A 80 14.574 26.237 2.456 1.00 1.18 C ATOM 1191 O LYS A 80 14.384 26.057 3.661 1.00 1.19 O ATOM 1192 CB LYS A 80 14.224 28.409 1.278 1.00 1.96 C ATOM 1193 CG LYS A 80 14.666 29.209 2.493 1.00 2.65 C ATOM 1194 CD LYS A 80 15.580 30.361 2.106 1.00 3.44 C ATOM 1195 CE LYS A 80 16.855 29.862 1.433 1.00 4.04 C ATOM 1196 NZ LYS A 80 17.900 30.915 1.365 1.00 4.61 N ATOM 0 H LYS A 80 12.130 28.207 2.591 1.00 1.09 H new ATOM 0 HA LYS A 80 13.375 26.522 0.705 1.00 1.37 H new ATOM 0 HB2 LYS A 80 15.085 28.241 0.631 1.00 1.96 H new ATOM 0 HB3 LYS A 80 13.507 28.998 0.707 1.00 1.96 H new ATOM 0 HG2 LYS A 80 13.789 29.598 3.011 1.00 2.65 H new ATOM 0 HG3 LYS A 80 15.184 28.553 3.192 1.00 2.65 H new ATOM 0 HD2 LYS A 80 15.052 31.035 1.432 1.00 3.44 H new ATOM 0 HD3 LYS A 80 15.838 30.937 2.995 1.00 3.44 H new ATOM 0 HE2 LYS A 80 17.242 29.003 1.982 1.00 4.04 H new ATOM 0 HE3 LYS A 80 16.622 29.518 0.425 1.00 4.04 H new ATOM 0 HZ1 LYS A 80 18.748 30.533 0.901 1.00 4.61 H new ATOM 0 HZ2 LYS A 80 17.542 31.725 0.820 1.00 4.61 H new ATOM 0 HZ3 LYS A 80 18.143 31.226 2.327 1.00 4.61 H new ATOM 1210 N ASN A 81 15.614 25.750 1.784 1.00 1.26 N ATOM 1211 CA ASN A 81 16.674 24.954 2.403 1.00 1.35 C ATOM 1212 C ASN A 81 16.177 23.534 2.662 1.00 1.23 C ATOM 1213 O ASN A 81 16.675 22.821 3.534 1.00 1.43 O ATOM 1214 CB ASN A 81 17.197 25.613 3.693 1.00 1.57 C ATOM 1215 CG ASN A 81 18.439 24.939 4.259 1.00 2.26 C ATOM 1216 OD1 ASN A 81 19.247 24.329 3.397 1.00 2.84 O flip ATOM 1217 ND2 ASN A 81 18.669 24.960 5.466 1.00 2.81 N flip ATOM 0 H ASN A 81 15.747 25.898 0.784 1.00 1.26 H new ATOM 0 HA ASN A 81 17.515 24.905 1.711 1.00 1.35 H new ATOM 0 HB2 ASN A 81 17.422 26.660 3.491 1.00 1.57 H new ATOM 0 HB3 ASN A 81 16.409 25.596 4.446 1.00 1.57 H new ATOM 0 HD21 ASN A 81 18.028 25.437 6.099 1.00 2.81 H new ATOM 0 HD22 ASN A 81 19.501 24.500 5.835 1.00 2.81 H new ATOM 1224 N SER A 82 15.204 23.120 1.868 1.00 1.01 N ATOM 1225 CA SER A 82 14.738 21.748 1.893 1.00 1.03 C ATOM 1226 C SER A 82 15.449 20.959 0.799 1.00 0.96 C ATOM 1227 O SER A 82 15.426 19.725 0.784 1.00 1.12 O ATOM 1228 CB SER A 82 13.222 21.696 1.694 1.00 1.08 C ATOM 1229 OG SER A 82 12.549 22.371 2.743 1.00 1.70 O ATOM 0 H SER A 82 14.722 23.718 1.197 1.00 1.01 H new ATOM 0 HA SER A 82 14.966 21.305 2.862 1.00 1.03 H new ATOM 0 HB2 SER A 82 12.961 22.150 0.738 1.00 1.08 H new ATOM 0 HB3 SER A 82 12.892 20.658 1.654 1.00 1.08 H new ATOM 0 HG SER A 82 12.360 23.293 2.471 1.00 1.70 H new ATOM 1235 N ILE A 83 16.073 21.690 -0.118 1.00 0.83 N ATOM 1236 CA ILE A 83 16.845 21.083 -1.192 1.00 0.77 C ATOM 1237 C ILE A 83 18.307 20.946 -0.765 1.00 0.76 C ATOM 1238 O ILE A 83 18.909 21.908 -0.285 1.00 0.78 O ATOM 1239 CB ILE A 83 16.780 21.923 -2.496 1.00 0.76 C ATOM 1240 CG1 ILE A 83 15.339 22.369 -2.807 1.00 0.92 C ATOM 1241 CG2 ILE A 83 17.361 21.146 -3.670 1.00 0.79 C ATOM 1242 CD1 ILE A 83 14.287 21.292 -2.668 1.00 0.69 C ATOM 0 H ILE A 83 16.058 22.710 -0.137 1.00 0.83 H new ATOM 0 HA ILE A 83 16.412 20.103 -1.392 1.00 0.77 H new ATOM 0 HB ILE A 83 17.382 22.818 -2.340 1.00 0.76 H new ATOM 0 HG12 ILE A 83 15.080 23.195 -2.144 1.00 0.92 H new ATOM 0 HG13 ILE A 83 15.307 22.756 -3.826 1.00 0.92 H new ATOM 0 HG21 ILE A 83 17.305 21.754 -4.573 1.00 0.79 H new ATOM 0 HG22 ILE A 83 18.402 20.899 -3.463 1.00 0.79 H new ATOM 0 HG23 ILE A 83 16.792 20.228 -3.816 1.00 0.79 H new ATOM 0 HD11 ILE A 83 13.308 21.707 -2.908 1.00 0.69 H new ATOM 0 HD12 ILE A 83 14.512 20.473 -3.351 1.00 0.69 H new ATOM 0 HD13 ILE A 83 14.281 20.919 -1.644 1.00 0.69 H new ATOM 1254 N PRO A 84 18.888 19.744 -0.908 1.00 0.82 N ATOM 1255 CA PRO A 84 20.297 19.511 -0.583 1.00 0.89 C ATOM 1256 C PRO A 84 21.235 20.111 -1.627 1.00 0.83 C ATOM 1257 O PRO A 84 20.860 20.276 -2.790 1.00 0.82 O ATOM 1258 CB PRO A 84 20.412 17.988 -0.586 1.00 1.03 C ATOM 1259 CG PRO A 84 19.349 17.531 -1.525 1.00 1.03 C ATOM 1260 CD PRO A 84 18.222 18.520 -1.393 1.00 0.91 C ATOM 0 HA PRO A 84 20.580 19.974 0.362 1.00 0.89 H new ATOM 0 HB2 PRO A 84 21.399 17.666 -0.918 1.00 1.03 H new ATOM 0 HB3 PRO A 84 20.262 17.577 0.412 1.00 1.03 H new ATOM 0 HG2 PRO A 84 19.721 17.499 -2.549 1.00 1.03 H new ATOM 0 HG3 PRO A 84 19.015 16.524 -1.275 1.00 1.03 H new ATOM 0 HD2 PRO A 84 17.722 18.687 -2.347 1.00 0.91 H new ATOM 0 HD3 PRO A 84 17.463 18.172 -0.692 1.00 0.91 H new ATOM 1268 N GLN A 85 22.454 20.427 -1.216 1.00 0.88 N ATOM 1269 CA GLN A 85 23.443 20.972 -2.131 1.00 0.88 C ATOM 1270 C GLN A 85 24.800 20.313 -1.904 1.00 0.77 C ATOM 1271 O GLN A 85 25.076 19.817 -0.815 1.00 0.74 O ATOM 1272 CB GLN A 85 23.519 22.506 -2.006 1.00 1.06 C ATOM 1273 CG GLN A 85 23.709 23.039 -0.588 1.00 1.73 C ATOM 1274 CD GLN A 85 25.166 23.193 -0.195 1.00 2.21 C ATOM 1275 OE1 GLN A 85 25.769 22.301 0.389 1.00 2.76 O ATOM 1276 NE2 GLN A 85 25.741 24.341 -0.520 1.00 2.65 N ATOM 0 H GLN A 85 22.781 20.315 -0.256 1.00 0.88 H new ATOM 0 HA GLN A 85 23.136 20.748 -3.153 1.00 0.88 H new ATOM 0 HB2 GLN A 85 24.343 22.863 -2.624 1.00 1.06 H new ATOM 0 HB3 GLN A 85 22.604 22.933 -2.417 1.00 1.06 H new ATOM 0 HG2 GLN A 85 23.212 24.005 -0.501 1.00 1.73 H new ATOM 0 HG3 GLN A 85 23.220 22.365 0.115 1.00 1.73 H new ATOM 0 HE21 GLN A 85 25.205 25.060 -1.006 1.00 2.65 H new ATOM 0 HE22 GLN A 85 26.719 24.506 -0.284 1.00 2.65 H new ATOM 1285 N PRO A 86 25.635 20.246 -2.953 1.00 0.81 N ATOM 1286 CA PRO A 86 26.975 19.656 -2.866 1.00 0.79 C ATOM 1287 C PRO A 86 27.865 20.393 -1.874 1.00 0.77 C ATOM 1288 O PRO A 86 28.055 21.607 -1.975 1.00 0.85 O ATOM 1289 CB PRO A 86 27.526 19.792 -4.291 1.00 0.88 C ATOM 1290 CG PRO A 86 26.683 20.828 -4.944 1.00 1.08 C ATOM 1291 CD PRO A 86 25.331 20.725 -4.304 1.00 0.95 C ATOM 0 HA PRO A 86 26.943 18.626 -2.510 1.00 0.79 H new ATOM 0 HB2 PRO A 86 28.575 20.089 -4.280 1.00 0.88 H new ATOM 0 HB3 PRO A 86 27.469 18.844 -4.826 1.00 0.88 H new ATOM 0 HG2 PRO A 86 27.107 21.822 -4.802 1.00 1.08 H new ATOM 0 HG3 PRO A 86 26.620 20.659 -6.019 1.00 1.08 H new ATOM 0 HD2 PRO A 86 24.821 21.688 -4.284 1.00 0.95 H new ATOM 0 HD3 PRO A 86 24.683 20.032 -4.841 1.00 0.95 H new ATOM 1299 N ALA A 87 28.428 19.656 -0.929 1.00 0.84 N ATOM 1300 CA ALA A 87 29.198 20.267 0.134 1.00 0.93 C ATOM 1301 C ALA A 87 30.684 20.273 -0.197 1.00 0.90 C ATOM 1302 O ALA A 87 31.395 19.304 0.064 1.00 0.98 O ATOM 1303 CB ALA A 87 28.948 19.529 1.438 1.00 1.10 C ATOM 0 H ALA A 87 28.365 18.639 -0.879 1.00 0.84 H new ATOM 0 HA ALA A 87 28.877 21.303 0.241 1.00 0.93 H new ATOM 0 HB1 ALA A 87 29.529 19.992 2.235 1.00 1.10 H new ATOM 0 HB2 ALA A 87 27.888 19.578 1.686 1.00 1.10 H new ATOM 0 HB3 ALA A 87 29.247 18.487 1.329 1.00 1.10 H new ATOM 1309 N VAL A 88 31.139 21.370 -0.794 1.00 0.87 N ATOM 1310 CA VAL A 88 32.551 21.560 -1.107 1.00 0.88 C ATOM 1311 C VAL A 88 32.935 23.019 -0.886 1.00 1.02 C ATOM 1312 O VAL A 88 32.549 23.885 -1.669 1.00 1.23 O ATOM 1313 CB VAL A 88 32.879 21.183 -2.570 1.00 0.81 C ATOM 1314 CG1 VAL A 88 34.373 21.238 -2.812 1.00 0.87 C ATOM 1315 CG2 VAL A 88 32.348 19.808 -2.924 1.00 0.94 C ATOM 0 H VAL A 88 30.543 22.149 -1.073 1.00 0.87 H new ATOM 0 HA VAL A 88 33.118 20.904 -0.447 1.00 0.88 H new ATOM 0 HB VAL A 88 32.386 21.912 -3.213 1.00 0.81 H new ATOM 0 HG11 VAL A 88 34.584 20.970 -3.847 1.00 0.87 H new ATOM 0 HG12 VAL A 88 34.736 22.247 -2.618 1.00 0.87 H new ATOM 0 HG13 VAL A 88 34.876 20.537 -2.146 1.00 0.87 H new ATOM 0 HG21 VAL A 88 32.597 19.577 -3.960 1.00 0.94 H new ATOM 0 HG22 VAL A 88 32.799 19.064 -2.268 1.00 0.94 H new ATOM 0 HG23 VAL A 88 31.265 19.793 -2.800 1.00 0.94 H new ATOM 1325 N LEU A 89 33.686 23.303 0.171 1.00 1.09 N ATOM 1326 CA LEU A 89 34.062 24.683 0.471 1.00 1.27 C ATOM 1327 C LEU A 89 35.307 25.111 -0.303 1.00 1.15 C ATOM 1328 O LEU A 89 35.500 26.294 -0.577 1.00 1.29 O ATOM 1329 CB LEU A 89 34.282 24.877 1.972 1.00 1.54 C ATOM 1330 CG LEU A 89 33.034 24.725 2.848 1.00 2.14 C ATOM 1331 CD1 LEU A 89 33.365 25.033 4.297 1.00 2.87 C ATOM 1332 CD2 LEU A 89 31.911 25.627 2.353 1.00 2.45 C ATOM 0 H LEU A 89 34.043 22.609 0.828 1.00 1.09 H new ATOM 0 HA LEU A 89 33.234 25.317 0.153 1.00 1.27 H new ATOM 0 HB2 LEU A 89 35.030 24.158 2.308 1.00 1.54 H new ATOM 0 HB3 LEU A 89 34.700 25.871 2.135 1.00 1.54 H new ATOM 0 HG LEU A 89 32.693 23.692 2.781 1.00 2.14 H new ATOM 0 HD11 LEU A 89 32.469 24.921 4.907 1.00 2.87 H new ATOM 0 HD12 LEU A 89 34.132 24.344 4.649 1.00 2.87 H new ATOM 0 HD13 LEU A 89 33.732 26.056 4.377 1.00 2.87 H new ATOM 0 HD21 LEU A 89 31.036 25.502 2.991 1.00 2.45 H new ATOM 0 HD22 LEU A 89 32.238 26.666 2.386 1.00 2.45 H new ATOM 0 HD23 LEU A 89 31.654 25.359 1.328 1.00 2.45 H new ATOM 1344 N GLU A 90 36.142 24.146 -0.666 1.00 1.05 N ATOM 1345 CA GLU A 90 37.375 24.435 -1.397 1.00 1.13 C ATOM 1346 C GLU A 90 37.075 24.806 -2.851 1.00 1.04 C ATOM 1347 O GLU A 90 37.898 25.432 -3.522 1.00 1.34 O ATOM 1348 CB GLU A 90 38.312 23.226 -1.331 1.00 1.30 C ATOM 1349 CG GLU A 90 39.723 23.515 -1.815 1.00 1.98 C ATOM 1350 CD GLU A 90 40.647 22.318 -1.699 1.00 2.31 C ATOM 1351 OE1 GLU A 90 40.324 21.389 -0.933 1.00 2.59 O ATOM 1352 OE2 GLU A 90 41.692 22.289 -2.384 1.00 2.84 O ATOM 0 H GLU A 90 35.991 23.157 -0.468 1.00 1.05 H new ATOM 0 HA GLU A 90 37.865 25.289 -0.930 1.00 1.13 H new ATOM 0 HB2 GLU A 90 38.357 22.869 -0.302 1.00 1.30 H new ATOM 0 HB3 GLU A 90 37.891 22.419 -1.930 1.00 1.30 H new ATOM 0 HG2 GLU A 90 39.685 23.838 -2.855 1.00 1.98 H new ATOM 0 HG3 GLU A 90 40.136 24.343 -1.239 1.00 1.98 H new ATOM 1359 N THR A 91 35.869 24.448 -3.302 1.00 0.84 N ATOM 1360 CA THR A 91 35.432 24.664 -4.680 1.00 0.77 C ATOM 1361 C THR A 91 35.979 23.570 -5.593 1.00 0.77 C ATOM 1362 O THR A 91 37.185 23.354 -5.669 1.00 0.95 O ATOM 1363 CB THR A 91 35.822 26.061 -5.198 1.00 0.81 C ATOM 1364 OG1 THR A 91 35.317 27.054 -4.292 1.00 1.42 O ATOM 1365 CG2 THR A 91 35.269 26.312 -6.594 1.00 1.41 C ATOM 0 H THR A 91 35.166 23.998 -2.716 1.00 0.84 H new ATOM 0 HA THR A 91 34.343 24.613 -4.690 1.00 0.77 H new ATOM 0 HB THR A 91 36.909 26.118 -5.254 1.00 0.81 H new ATOM 0 HG1 THR A 91 35.810 27.892 -4.417 1.00 1.42 H new ATOM 0 HG21 THR A 91 35.563 27.307 -6.928 1.00 1.41 H new ATOM 0 HG22 THR A 91 35.666 25.566 -7.282 1.00 1.41 H new ATOM 0 HG23 THR A 91 34.181 26.243 -6.572 1.00 1.41 H new ATOM 1373 N THR A 92 35.074 22.874 -6.273 1.00 0.69 N ATOM 1374 CA THR A 92 35.428 21.681 -7.025 1.00 0.73 C ATOM 1375 C THR A 92 36.030 22.013 -8.394 1.00 0.65 C ATOM 1376 O THR A 92 37.148 21.601 -8.700 1.00 0.69 O ATOM 1377 CB THR A 92 34.194 20.782 -7.232 1.00 0.81 C ATOM 1378 OG1 THR A 92 33.320 20.874 -6.099 1.00 1.30 O ATOM 1379 CG2 THR A 92 34.606 19.329 -7.424 1.00 0.82 C ATOM 0 H THR A 92 34.085 23.120 -6.317 1.00 0.69 H new ATOM 0 HA THR A 92 36.180 21.157 -6.435 1.00 0.73 H new ATOM 0 HB THR A 92 33.676 21.126 -8.127 1.00 0.81 H new ATOM 0 HG1 THR A 92 32.680 20.132 -6.118 1.00 1.30 H new ATOM 0 HG21 THR A 92 33.717 18.715 -7.568 1.00 0.82 H new ATOM 0 HG22 THR A 92 35.250 19.246 -8.299 1.00 0.82 H new ATOM 0 HG23 THR A 92 35.146 18.984 -6.542 1.00 0.82 H new ATOM 1387 N HIS A 93 35.285 22.749 -9.218 1.00 0.59 N ATOM 1388 CA HIS A 93 35.715 23.013 -10.592 1.00 0.54 C ATOM 1389 C HIS A 93 35.380 24.437 -11.014 1.00 0.49 C ATOM 1390 O HIS A 93 34.717 25.180 -10.287 1.00 0.63 O ATOM 1391 CB HIS A 93 35.047 22.046 -11.579 1.00 0.68 C ATOM 1392 CG HIS A 93 35.355 20.598 -11.353 1.00 0.62 C ATOM 1393 ND1 HIS A 93 36.609 20.042 -11.497 1.00 0.98 N ATOM 1394 CD2 HIS A 93 34.535 19.581 -10.985 1.00 0.72 C ATOM 1395 CE1 HIS A 93 36.514 18.737 -11.221 1.00 1.29 C ATOM 1396 NE2 HIS A 93 35.275 18.405 -10.904 1.00 1.10 N ATOM 0 H HIS A 93 34.391 23.169 -8.963 1.00 0.59 H new ATOM 0 HA HIS A 93 36.795 22.871 -10.613 1.00 0.54 H new ATOM 0 HB2 HIS A 93 33.967 22.185 -11.526 1.00 0.68 H new ATOM 0 HB3 HIS A 93 35.353 22.314 -12.590 1.00 0.68 H new ATOM 0 HD2 HIS A 93 33.477 19.670 -10.787 1.00 0.72 H new ATOM 0 HE1 HIS A 93 37.342 18.045 -11.253 1.00 1.29 H new ATOM 0 HE2 HIS A 93 34.932 17.478 -10.652 1.00 1.10 H new ATOM 1404 N ASN A 94 35.834 24.792 -12.208 1.00 0.45 N ATOM 1405 CA ASN A 94 35.518 26.072 -12.815 1.00 0.48 C ATOM 1406 C ASN A 94 35.305 25.880 -14.312 1.00 0.51 C ATOM 1407 O ASN A 94 35.458 24.772 -14.824 1.00 0.78 O ATOM 1408 CB ASN A 94 36.636 27.093 -12.566 1.00 0.57 C ATOM 1409 CG ASN A 94 37.934 26.746 -13.278 1.00 0.67 C ATOM 1410 OD1 ASN A 94 38.762 26.003 -12.756 1.00 1.36 O ATOM 1411 ND2 ASN A 94 38.133 27.303 -14.464 1.00 1.19 N ATOM 0 H ASN A 94 36.432 24.198 -12.782 1.00 0.45 H new ATOM 0 HA ASN A 94 34.606 26.459 -12.361 1.00 0.48 H new ATOM 0 HB2 ASN A 94 36.301 28.077 -12.895 1.00 0.57 H new ATOM 0 HB3 ASN A 94 36.824 27.162 -11.495 1.00 0.57 H new ATOM 0 HD21 ASN A 94 38.997 27.120 -14.975 1.00 1.19 H new ATOM 0 HD22 ASN A 94 37.423 27.915 -14.866 1.00 1.19 H new ATOM 1418 N GLY A 95 34.944 26.949 -15.001 1.00 0.45 N ATOM 1419 CA GLY A 95 34.759 26.894 -16.438 1.00 0.49 C ATOM 1420 C GLY A 95 34.034 28.122 -16.923 1.00 0.47 C ATOM 1421 O GLY A 95 33.705 28.992 -16.114 1.00 0.53 O ATOM 0 H GLY A 95 34.773 27.865 -14.587 1.00 0.45 H new ATOM 0 HA2 GLY A 95 35.727 26.817 -16.933 1.00 0.49 H new ATOM 0 HA3 GLY A 95 34.193 26.001 -16.704 1.00 0.49 H new ATOM 1425 N VAL A 96 33.797 28.228 -18.221 1.00 0.47 N ATOM 1426 CA VAL A 96 33.050 29.349 -18.735 1.00 0.48 C ATOM 1427 C VAL A 96 31.628 28.918 -19.084 1.00 0.45 C ATOM 1428 O VAL A 96 31.351 27.730 -19.257 1.00 0.43 O ATOM 1429 CB VAL A 96 33.717 29.981 -19.977 1.00 0.55 C ATOM 1430 CG1 VAL A 96 35.211 30.164 -19.768 1.00 1.21 C ATOM 1431 CG2 VAL A 96 33.435 29.183 -21.240 1.00 1.37 C ATOM 0 H VAL A 96 34.109 27.558 -18.924 1.00 0.47 H new ATOM 0 HA VAL A 96 33.029 30.105 -17.950 1.00 0.48 H new ATOM 0 HB VAL A 96 33.273 30.967 -20.111 1.00 0.55 H new ATOM 0 HG11 VAL A 96 35.651 30.611 -20.660 1.00 1.21 H new ATOM 0 HG12 VAL A 96 35.381 30.818 -18.913 1.00 1.21 H new ATOM 0 HG13 VAL A 96 35.674 29.195 -19.582 1.00 1.21 H new ATOM 0 HG21 VAL A 96 33.922 29.662 -22.089 1.00 1.37 H new ATOM 0 HG22 VAL A 96 33.821 28.170 -21.124 1.00 1.37 H new ATOM 0 HG23 VAL A 96 32.360 29.144 -21.413 1.00 1.37 H new ATOM 1441 N VAL A 97 30.725 29.879 -19.162 1.00 0.50 N ATOM 1442 CA VAL A 97 29.366 29.606 -19.607 1.00 0.53 C ATOM 1443 C VAL A 97 29.384 29.266 -21.088 1.00 0.60 C ATOM 1444 O VAL A 97 29.844 30.071 -21.901 1.00 0.67 O ATOM 1445 CB VAL A 97 28.438 30.813 -19.360 1.00 0.60 C ATOM 1446 CG1 VAL A 97 27.053 30.570 -19.944 1.00 0.69 C ATOM 1447 CG2 VAL A 97 28.349 31.115 -17.873 1.00 0.57 C ATOM 0 H VAL A 97 30.905 30.854 -18.924 1.00 0.50 H new ATOM 0 HA VAL A 97 28.978 28.764 -19.033 1.00 0.53 H new ATOM 0 HB VAL A 97 28.865 31.679 -19.866 1.00 0.60 H new ATOM 0 HG11 VAL A 97 26.421 31.438 -19.755 1.00 0.69 H new ATOM 0 HG12 VAL A 97 27.135 30.408 -21.019 1.00 0.69 H new ATOM 0 HG13 VAL A 97 26.611 29.690 -19.477 1.00 0.69 H new ATOM 0 HG21 VAL A 97 27.691 31.969 -17.714 1.00 0.57 H new ATOM 0 HG22 VAL A 97 27.950 30.247 -17.349 1.00 0.57 H new ATOM 0 HG23 VAL A 97 29.342 31.346 -17.489 1.00 0.57 H new ATOM 1457 N ALA A 98 28.896 28.078 -21.433 1.00 0.61 N ATOM 1458 CA ALA A 98 28.946 27.610 -22.810 1.00 0.70 C ATOM 1459 C ALA A 98 28.051 28.456 -23.698 1.00 0.83 C ATOM 1460 O ALA A 98 28.499 28.985 -24.720 1.00 0.89 O ATOM 1461 CB ALA A 98 28.546 26.145 -22.889 1.00 0.76 C ATOM 0 H ALA A 98 28.463 27.426 -20.779 1.00 0.61 H new ATOM 0 HA ALA A 98 29.971 27.708 -23.168 1.00 0.70 H new ATOM 0 HB1 ALA A 98 28.589 25.812 -23.926 1.00 0.76 H new ATOM 0 HB2 ALA A 98 29.231 25.548 -22.287 1.00 0.76 H new ATOM 0 HB3 ALA A 98 27.531 26.024 -22.511 1.00 0.76 H new ATOM 1467 N ARG A 99 26.789 28.584 -23.305 1.00 0.97 N ATOM 1468 CA ARG A 99 25.836 29.411 -24.036 1.00 1.17 C ATOM 1469 C ARG A 99 24.503 29.459 -23.308 1.00 1.38 C ATOM 1470 O ARG A 99 24.117 28.491 -22.645 1.00 1.41 O ATOM 1471 CB ARG A 99 25.607 28.877 -25.455 1.00 1.25 C ATOM 1472 CG ARG A 99 25.301 27.389 -25.498 1.00 1.85 C ATOM 1473 CD ARG A 99 24.502 27.009 -26.730 1.00 2.04 C ATOM 1474 NE ARG A 99 25.054 27.597 -27.951 1.00 2.61 N ATOM 1475 CZ ARG A 99 25.120 26.963 -29.123 1.00 2.99 C ATOM 1476 NH1 ARG A 99 24.721 25.701 -29.227 1.00 2.82 N ATOM 1477 NH2 ARG A 99 25.588 27.599 -30.188 1.00 3.92 N ATOM 0 H ARG A 99 26.401 28.124 -22.481 1.00 0.97 H new ATOM 0 HA ARG A 99 26.259 30.414 -24.098 1.00 1.17 H new ATOM 0 HB2 ARG A 99 24.782 29.423 -25.912 1.00 1.25 H new ATOM 0 HB3 ARG A 99 26.493 29.076 -26.057 1.00 1.25 H new ATOM 0 HG2 ARG A 99 26.234 26.826 -25.483 1.00 1.85 H new ATOM 0 HG3 ARG A 99 24.745 27.107 -24.604 1.00 1.85 H new ATOM 0 HD2 ARG A 99 24.483 25.924 -26.828 1.00 2.04 H new ATOM 0 HD3 ARG A 99 23.470 27.336 -26.606 1.00 2.04 H new ATOM 0 HE ARG A 99 25.411 28.551 -27.903 1.00 2.61 H new ATOM 0 HH11 ARG A 99 24.361 25.211 -28.408 1.00 2.82 H new ATOM 0 HH12 ARG A 99 24.774 25.222 -30.126 1.00 2.82 H new ATOM 0 HH21 ARG A 99 25.895 28.568 -30.109 1.00 3.92 H new ATOM 0 HH22 ARG A 99 25.641 27.119 -31.086 1.00 3.92 H new ATOM 1688 N ALA A 112 18.024 24.085 -18.412 1.00 1.24 N ATOM 1689 CA ALA A 112 18.643 24.787 -17.305 1.00 1.02 C ATOM 1690 C ALA A 112 19.948 25.459 -17.735 1.00 0.97 C ATOM 1691 O ALA A 112 20.389 26.423 -17.114 1.00 1.15 O ATOM 1692 CB ALA A 112 18.866 23.832 -16.147 1.00 1.06 C ATOM 0 HA ALA A 112 17.970 25.578 -16.974 1.00 1.02 H new ATOM 0 HB1 ALA A 112 19.331 24.367 -15.319 1.00 1.06 H new ATOM 0 HB2 ALA A 112 17.909 23.423 -15.823 1.00 1.06 H new ATOM 0 HB3 ALA A 112 19.518 23.019 -16.466 1.00 1.06 H new ATOM 1698 N GLY A 113 20.538 24.967 -18.819 1.00 0.94 N ATOM 1699 CA GLY A 113 21.775 25.538 -19.320 1.00 0.89 C ATOM 1700 C GLY A 113 22.963 24.668 -18.979 1.00 0.79 C ATOM 1701 O GLY A 113 22.853 23.775 -18.142 1.00 0.83 O ATOM 0 H GLY A 113 20.180 24.181 -19.361 1.00 0.94 H new ATOM 0 HA2 GLY A 113 21.710 25.659 -20.401 1.00 0.89 H new ATOM 0 HA3 GLY A 113 21.917 26.532 -18.896 1.00 0.89 H new ATOM 1705 N LEU A 114 24.108 24.926 -19.603 1.00 0.73 N ATOM 1706 CA LEU A 114 25.264 24.067 -19.413 1.00 0.66 C ATOM 1707 C LEU A 114 26.557 24.860 -19.379 1.00 0.58 C ATOM 1708 O LEU A 114 26.760 25.800 -20.152 1.00 0.63 O ATOM 1709 CB LEU A 114 25.308 23.000 -20.506 1.00 0.74 C ATOM 1710 CG LEU A 114 24.228 21.925 -20.376 1.00 0.83 C ATOM 1711 CD1 LEU A 114 24.110 21.121 -21.647 1.00 0.93 C ATOM 1712 CD2 LEU A 114 24.531 20.993 -19.216 1.00 0.80 C ATOM 0 H LEU A 114 24.257 25.712 -20.235 1.00 0.73 H new ATOM 0 HA LEU A 114 25.164 23.578 -18.444 1.00 0.66 H new ATOM 0 HB2 LEU A 114 25.207 23.486 -21.477 1.00 0.74 H new ATOM 0 HB3 LEU A 114 26.286 22.520 -20.490 1.00 0.74 H new ATOM 0 HG LEU A 114 23.282 22.433 -20.189 1.00 0.83 H new ATOM 0 HD11 LEU A 114 23.335 20.364 -21.528 1.00 0.93 H new ATOM 0 HD12 LEU A 114 23.847 21.782 -22.473 1.00 0.93 H new ATOM 0 HD13 LEU A 114 25.062 20.635 -21.860 1.00 0.93 H new ATOM 0 HD21 LEU A 114 23.749 20.237 -19.143 1.00 0.80 H new ATOM 0 HD22 LEU A 114 25.492 20.506 -19.382 1.00 0.80 H new ATOM 0 HD23 LEU A 114 24.569 21.566 -18.289 1.00 0.80 H new ATOM 1724 N ILE A 115 27.415 24.473 -18.457 1.00 0.49 N ATOM 1725 CA ILE A 115 28.718 25.084 -18.299 1.00 0.42 C ATOM 1726 C ILE A 115 29.774 24.128 -18.832 1.00 0.43 C ATOM 1727 O ILE A 115 29.681 22.916 -18.617 1.00 0.47 O ATOM 1728 CB ILE A 115 29.007 25.396 -16.813 1.00 0.34 C ATOM 1729 CG1 ILE A 115 27.922 26.312 -16.237 1.00 0.36 C ATOM 1730 CG2 ILE A 115 30.378 26.039 -16.656 1.00 0.31 C ATOM 1731 CD1 ILE A 115 27.883 26.332 -14.721 1.00 0.28 C ATOM 0 H ILE A 115 27.226 23.722 -17.793 1.00 0.49 H new ATOM 0 HA ILE A 115 28.739 26.022 -18.854 1.00 0.42 H new ATOM 0 HB ILE A 115 29.001 24.457 -16.259 1.00 0.34 H new ATOM 0 HG12 ILE A 115 28.085 27.327 -16.601 1.00 0.36 H new ATOM 0 HG13 ILE A 115 26.951 25.991 -16.612 1.00 0.36 H new ATOM 0 HG21 ILE A 115 30.562 26.251 -15.603 1.00 0.31 H new ATOM 0 HG22 ILE A 115 31.144 25.359 -17.029 1.00 0.31 H new ATOM 0 HG23 ILE A 115 30.411 26.969 -17.224 1.00 0.31 H new ATOM 0 HD11 ILE A 115 27.091 27.002 -14.386 1.00 0.28 H new ATOM 0 HD12 ILE A 115 27.689 25.326 -14.349 1.00 0.28 H new ATOM 0 HD13 ILE A 115 28.841 26.683 -14.337 1.00 0.28 H new ATOM 1743 N GLU A 116 30.758 24.658 -19.543 1.00 0.43 N ATOM 1744 CA GLU A 116 31.836 23.831 -20.038 1.00 0.47 C ATOM 1745 C GLU A 116 32.882 23.687 -18.954 1.00 0.45 C ATOM 1746 O GLU A 116 33.366 24.668 -18.391 1.00 0.49 O ATOM 1747 CB GLU A 116 32.436 24.401 -21.331 1.00 0.54 C ATOM 1748 CG GLU A 116 33.019 25.798 -21.205 1.00 0.84 C ATOM 1749 CD GLU A 116 34.533 25.799 -21.099 1.00 1.03 C ATOM 1750 OE1 GLU A 116 35.060 26.397 -20.135 1.00 1.14 O ATOM 1751 OE2 GLU A 116 35.197 25.176 -21.959 1.00 1.40 O ATOM 0 H GLU A 116 30.828 25.646 -19.785 1.00 0.43 H new ATOM 0 HA GLU A 116 31.445 22.845 -20.290 1.00 0.47 H new ATOM 0 HB2 GLU A 116 33.219 23.727 -21.679 1.00 0.54 H new ATOM 0 HB3 GLU A 116 31.662 24.414 -22.098 1.00 0.54 H new ATOM 0 HG2 GLU A 116 32.720 26.390 -22.070 1.00 0.84 H new ATOM 0 HG3 GLU A 116 32.598 26.284 -20.325 1.00 0.84 H new ATOM 1758 N ILE A 117 33.181 22.453 -18.620 1.00 0.47 N ATOM 1759 CA ILE A 117 34.120 22.170 -17.563 1.00 0.50 C ATOM 1760 C ILE A 117 35.444 21.802 -18.185 1.00 0.56 C ATOM 1761 O ILE A 117 35.519 20.839 -18.944 1.00 0.63 O ATOM 1762 CB ILE A 117 33.635 21.002 -16.686 1.00 0.53 C ATOM 1763 CG1 ILE A 117 32.117 21.073 -16.527 1.00 0.48 C ATOM 1764 CG2 ILE A 117 34.333 21.024 -15.329 1.00 0.60 C ATOM 1765 CD1 ILE A 117 31.624 22.347 -15.878 1.00 0.41 C ATOM 0 H ILE A 117 32.785 21.627 -19.068 1.00 0.47 H new ATOM 0 HA ILE A 117 34.217 23.054 -16.932 1.00 0.50 H new ATOM 0 HB ILE A 117 33.889 20.060 -17.172 1.00 0.53 H new ATOM 0 HG12 ILE A 117 31.654 20.975 -17.509 1.00 0.48 H new ATOM 0 HG13 ILE A 117 31.784 20.222 -15.932 1.00 0.48 H new ATOM 0 HG21 ILE A 117 33.977 20.191 -14.723 1.00 0.60 H new ATOM 0 HG22 ILE A 117 35.410 20.934 -15.472 1.00 0.60 H new ATOM 0 HG23 ILE A 117 34.111 21.963 -14.821 1.00 0.60 H new ATOM 0 HD11 ILE A 117 30.537 22.319 -15.802 1.00 0.41 H new ATOM 0 HD12 ILE A 117 32.056 22.438 -14.881 1.00 0.41 H new ATOM 0 HD13 ILE A 117 31.924 23.203 -16.483 1.00 0.41 H new ATOM 1777 N LEU A 118 36.479 22.548 -17.872 1.00 0.61 N ATOM 1778 CA LEU A 118 37.757 22.328 -18.512 1.00 0.70 C ATOM 1779 C LEU A 118 38.505 21.210 -17.814 1.00 0.79 C ATOM 1780 O LEU A 118 38.392 21.029 -16.599 1.00 0.88 O ATOM 1781 CB LEU A 118 38.617 23.607 -18.539 1.00 0.84 C ATOM 1782 CG LEU A 118 39.293 24.020 -17.221 1.00 0.96 C ATOM 1783 CD1 LEU A 118 40.169 25.243 -17.442 1.00 1.15 C ATOM 1784 CD2 LEU A 118 38.271 24.308 -16.133 1.00 1.21 C ATOM 0 H LEU A 118 36.463 23.304 -17.187 1.00 0.61 H new ATOM 0 HA LEU A 118 37.561 22.043 -19.546 1.00 0.70 H new ATOM 0 HB2 LEU A 118 39.394 23.477 -19.292 1.00 0.84 H new ATOM 0 HB3 LEU A 118 37.987 24.432 -18.870 1.00 0.84 H new ATOM 0 HG LEU A 118 39.910 23.185 -16.891 1.00 0.96 H new ATOM 0 HD11 LEU A 118 40.642 25.526 -16.502 1.00 1.15 H new ATOM 0 HD12 LEU A 118 40.937 25.012 -18.180 1.00 1.15 H new ATOM 0 HD13 LEU A 118 39.556 26.069 -17.803 1.00 1.15 H new ATOM 0 HD21 LEU A 118 38.786 24.597 -15.217 1.00 1.21 H new ATOM 0 HD22 LEU A 118 37.618 25.120 -16.453 1.00 1.21 H new ATOM 0 HD23 LEU A 118 37.675 23.414 -15.948 1.00 1.21 H new ATOM 1796 N ASP A 119 39.225 20.435 -18.604 1.00 0.83 N ATOM 1797 CA ASP A 119 40.112 19.413 -18.081 1.00 0.95 C ATOM 1798 C ASP A 119 41.107 20.046 -17.113 1.00 1.01 C ATOM 1799 O ASP A 119 41.442 21.224 -17.251 1.00 0.98 O ATOM 1800 CB ASP A 119 40.834 18.726 -19.242 1.00 1.05 C ATOM 1801 CG ASP A 119 42.044 17.935 -18.802 1.00 1.65 C ATOM 1802 OD1 ASP A 119 43.168 18.330 -19.172 1.00 2.29 O ATOM 1803 OD2 ASP A 119 41.880 16.928 -18.085 1.00 2.22 O ATOM 0 H ASP A 119 39.212 20.496 -19.622 1.00 0.83 H new ATOM 0 HA ASP A 119 39.538 18.662 -17.538 1.00 0.95 H new ATOM 0 HB2 ASP A 119 40.138 18.060 -19.752 1.00 1.05 H new ATOM 0 HB3 ASP A 119 41.143 19.479 -19.966 1.00 1.05 H new ATOM 1808 N GLU A 120 41.575 19.275 -16.142 1.00 1.17 N ATOM 1809 CA GLU A 120 42.422 19.810 -15.080 1.00 1.32 C ATOM 1810 C GLU A 120 43.729 20.383 -15.627 1.00 1.33 C ATOM 1811 O GLU A 120 44.369 21.213 -14.982 1.00 1.44 O ATOM 1812 CB GLU A 120 42.708 18.732 -14.039 1.00 1.55 C ATOM 1813 CG GLU A 120 43.407 17.509 -14.599 1.00 1.63 C ATOM 1814 CD GLU A 120 43.535 16.408 -13.573 1.00 1.96 C ATOM 1815 OE1 GLU A 120 43.099 15.273 -13.857 1.00 1.89 O ATOM 1816 OE2 GLU A 120 44.074 16.670 -12.479 1.00 2.78 O ATOM 0 H GLU A 120 41.384 18.276 -16.066 1.00 1.17 H new ATOM 0 HA GLU A 120 41.880 20.629 -14.607 1.00 1.32 H new ATOM 0 HB2 GLU A 120 43.323 19.159 -13.247 1.00 1.55 H new ATOM 0 HB3 GLU A 120 41.768 18.424 -13.581 1.00 1.55 H new ATOM 0 HG2 GLU A 120 42.852 17.138 -15.461 1.00 1.63 H new ATOM 0 HG3 GLU A 120 44.398 17.790 -14.955 1.00 1.63 H new ATOM 1823 N LEU A 121 44.121 19.947 -16.818 1.00 1.28 N ATOM 1824 CA LEU A 121 45.330 20.459 -17.453 1.00 1.34 C ATOM 1825 C LEU A 121 44.986 21.598 -18.411 1.00 1.21 C ATOM 1826 O LEU A 121 45.833 22.046 -19.185 1.00 1.27 O ATOM 1827 CB LEU A 121 46.077 19.345 -18.202 1.00 1.45 C ATOM 1828 CG LEU A 121 46.594 18.176 -17.347 1.00 1.65 C ATOM 1829 CD1 LEU A 121 46.951 18.630 -15.941 1.00 1.77 C ATOM 1830 CD2 LEU A 121 45.585 17.038 -17.314 1.00 1.65 C ATOM 0 H LEU A 121 43.622 19.243 -17.362 1.00 1.28 H new ATOM 0 HA LEU A 121 45.985 20.840 -16.670 1.00 1.34 H new ATOM 0 HB2 LEU A 121 45.413 18.942 -18.966 1.00 1.45 H new ATOM 0 HB3 LEU A 121 46.926 19.791 -18.720 1.00 1.45 H new ATOM 0 HG LEU A 121 47.507 17.805 -17.813 1.00 1.65 H new ATOM 0 HD11 LEU A 121 47.313 17.779 -15.365 1.00 1.77 H new ATOM 0 HD12 LEU A 121 47.729 19.391 -15.991 1.00 1.77 H new ATOM 0 HD13 LEU A 121 46.067 19.046 -15.458 1.00 1.77 H new ATOM 0 HD21 LEU A 121 45.975 16.224 -16.703 1.00 1.65 H new ATOM 0 HD22 LEU A 121 44.648 17.395 -16.888 1.00 1.65 H new ATOM 0 HD23 LEU A 121 45.409 16.678 -18.328 1.00 1.65 H new ATOM 1842 N ARG A 122 43.731 22.055 -18.339 1.00 1.11 N ATOM 1843 CA ARG A 122 43.231 23.174 -19.144 1.00 1.08 C ATOM 1844 C ARG A 122 43.169 22.815 -20.620 1.00 1.13 C ATOM 1845 O ARG A 122 43.298 23.682 -21.481 1.00 1.46 O ATOM 1846 CB ARG A 122 44.095 24.425 -18.944 1.00 1.24 C ATOM 1847 CG ARG A 122 44.053 24.974 -17.529 1.00 1.80 C ATOM 1848 CD ARG A 122 44.905 26.221 -17.390 1.00 2.04 C ATOM 1849 NE ARG A 122 44.443 27.301 -18.267 1.00 2.50 N ATOM 1850 CZ ARG A 122 44.728 28.587 -18.071 1.00 3.32 C ATOM 1851 NH1 ARG A 122 45.491 28.948 -17.046 1.00 3.73 N ATOM 1852 NH2 ARG A 122 44.252 29.504 -18.907 1.00 4.14 N ATOM 0 H ARG A 122 43.029 21.656 -17.716 1.00 1.11 H new ATOM 0 HA ARG A 122 42.219 23.389 -18.802 1.00 1.08 H new ATOM 0 HB2 ARG A 122 45.127 24.188 -19.202 1.00 1.24 H new ATOM 0 HB3 ARG A 122 43.763 25.200 -19.635 1.00 1.24 H new ATOM 0 HG2 ARG A 122 43.023 25.204 -17.258 1.00 1.80 H new ATOM 0 HG3 ARG A 122 44.404 24.213 -16.832 1.00 1.80 H new ATOM 0 HD2 ARG A 122 44.885 26.561 -16.355 1.00 2.04 H new ATOM 0 HD3 ARG A 122 45.942 25.980 -17.626 1.00 2.04 H new ATOM 0 HE ARG A 122 43.870 27.053 -19.074 1.00 2.50 H new ATOM 0 HH11 ARG A 122 45.858 28.241 -16.410 1.00 3.73 H new ATOM 0 HH12 ARG A 122 45.710 29.933 -16.895 1.00 3.73 H new ATOM 0 HH21 ARG A 122 43.670 29.222 -19.696 1.00 4.14 H new ATOM 0 HH22 ARG A 122 44.468 30.490 -18.760 1.00 4.14 H new ATOM 1866 N THR A 123 42.942 21.542 -20.909 1.00 1.08 N ATOM 1867 CA THR A 123 42.851 21.082 -22.284 1.00 1.20 C ATOM 1868 C THR A 123 41.569 21.590 -22.954 1.00 1.15 C ATOM 1869 O THR A 123 41.590 22.585 -23.680 1.00 1.38 O ATOM 1870 CB THR A 123 42.908 19.540 -22.360 1.00 1.40 C ATOM 1871 OG1 THR A 123 44.005 19.057 -21.570 1.00 1.86 O ATOM 1872 CG2 THR A 123 43.068 19.070 -23.801 1.00 1.87 C ATOM 0 H THR A 123 42.818 20.811 -20.209 1.00 1.08 H new ATOM 0 HA THR A 123 43.708 21.489 -22.820 1.00 1.20 H new ATOM 0 HB THR A 123 41.971 19.142 -21.970 1.00 1.40 H new ATOM 0 HG1 THR A 123 43.698 18.884 -20.656 1.00 1.86 H new ATOM 0 HG21 THR A 123 43.105 17.981 -23.826 1.00 1.87 H new ATOM 0 HG22 THR A 123 42.222 19.418 -24.393 1.00 1.87 H new ATOM 0 HG23 THR A 123 43.991 19.475 -24.215 1.00 1.87 H new ATOM 1880 N THR A 124 40.454 20.923 -22.689 1.00 1.01 N ATOM 1881 CA THR A 124 39.174 21.298 -23.274 1.00 1.03 C ATOM 1882 C THR A 124 38.031 20.955 -22.329 1.00 0.89 C ATOM 1883 O THR A 124 38.267 20.495 -21.212 1.00 0.85 O ATOM 1884 CB THR A 124 38.938 20.578 -24.620 1.00 1.26 C ATOM 1885 OG1 THR A 124 39.461 19.246 -24.560 1.00 1.54 O ATOM 1886 CG2 THR A 124 39.573 21.331 -25.778 1.00 1.53 C ATOM 0 H THR A 124 40.411 20.114 -22.069 1.00 1.01 H new ATOM 0 HA THR A 124 39.202 22.374 -23.445 1.00 1.03 H new ATOM 0 HB THR A 124 37.863 20.542 -24.794 1.00 1.26 H new ATOM 0 HG1 THR A 124 39.306 18.795 -25.416 1.00 1.54 H new ATOM 0 HG21 THR A 124 39.386 20.794 -26.708 1.00 1.53 H new ATOM 0 HG22 THR A 124 39.141 22.330 -25.843 1.00 1.53 H new ATOM 0 HG23 THR A 124 40.648 21.410 -25.615 1.00 1.53 H new ATOM 1894 N VAL A 125 36.805 21.184 -22.784 1.00 0.90 N ATOM 1895 CA VAL A 125 35.622 20.806 -22.024 1.00 0.82 C ATOM 1896 C VAL A 125 35.541 19.287 -21.894 1.00 0.86 C ATOM 1897 O VAL A 125 35.775 18.562 -22.859 1.00 0.96 O ATOM 1898 CB VAL A 125 34.327 21.346 -22.686 1.00 0.82 C ATOM 1899 CG1 VAL A 125 34.201 20.873 -24.131 1.00 1.17 C ATOM 1900 CG2 VAL A 125 33.098 20.945 -21.882 1.00 1.29 C ATOM 0 H VAL A 125 36.605 21.631 -23.679 1.00 0.90 H new ATOM 0 HA VAL A 125 35.708 21.251 -21.033 1.00 0.82 H new ATOM 0 HB VAL A 125 34.392 22.434 -22.695 1.00 0.82 H new ATOM 0 HG11 VAL A 125 33.283 21.269 -24.565 1.00 1.17 H new ATOM 0 HG12 VAL A 125 35.057 21.228 -24.706 1.00 1.17 H new ATOM 0 HG13 VAL A 125 34.173 19.784 -24.156 1.00 1.17 H new ATOM 0 HG21 VAL A 125 32.203 21.335 -22.366 1.00 1.29 H new ATOM 0 HG22 VAL A 125 33.037 19.858 -21.829 1.00 1.29 H new ATOM 0 HG23 VAL A 125 33.173 21.354 -20.874 1.00 1.29 H new ATOM 1910 N ILE A 126 35.254 18.812 -20.690 1.00 0.82 N ATOM 1911 CA ILE A 126 35.142 17.384 -20.446 1.00 0.90 C ATOM 1912 C ILE A 126 33.858 16.838 -21.061 1.00 0.93 C ATOM 1913 O ILE A 126 33.897 16.043 -21.995 1.00 1.03 O ATOM 1914 CB ILE A 126 35.137 17.097 -18.931 1.00 0.89 C ATOM 1915 CG1 ILE A 126 36.366 17.722 -18.270 1.00 0.87 C ATOM 1916 CG2 ILE A 126 35.099 15.599 -18.669 1.00 1.00 C ATOM 1917 CD1 ILE A 126 36.270 17.806 -16.765 1.00 0.87 C ATOM 0 H ILE A 126 35.095 19.395 -19.869 1.00 0.82 H new ATOM 0 HA ILE A 126 36.000 16.894 -20.906 1.00 0.90 H new ATOM 0 HB ILE A 126 34.242 17.543 -18.498 1.00 0.89 H new ATOM 0 HG12 ILE A 126 37.247 17.139 -18.537 1.00 0.87 H new ATOM 0 HG13 ILE A 126 36.514 18.724 -18.672 1.00 0.87 H new ATOM 0 HG21 ILE A 126 35.096 15.418 -17.594 1.00 1.00 H new ATOM 0 HG22 ILE A 126 34.197 15.175 -19.111 1.00 1.00 H new ATOM 0 HG23 ILE A 126 35.976 15.129 -19.114 1.00 1.00 H new ATOM 0 HD11 ILE A 126 37.178 18.260 -16.367 1.00 0.87 H new ATOM 0 HD12 ILE A 126 35.409 18.415 -16.489 1.00 0.87 H new ATOM 0 HD13 ILE A 126 36.154 16.804 -16.351 1.00 0.87 H new ATOM 1929 N SER A 127 32.718 17.243 -20.516 1.00 0.87 N ATOM 1930 CA SER A 127 31.440 16.926 -21.129 1.00 0.92 C ATOM 1931 C SER A 127 30.511 18.138 -21.095 1.00 0.84 C ATOM 1932 O SER A 127 30.428 18.904 -22.055 1.00 0.85 O ATOM 1933 CB SER A 127 30.801 15.720 -20.431 1.00 0.99 C ATOM 1934 OG SER A 127 31.652 14.586 -20.495 1.00 1.56 O ATOM 0 H SER A 127 32.655 17.788 -19.656 1.00 0.87 H new ATOM 0 HA SER A 127 31.609 16.665 -22.174 1.00 0.92 H new ATOM 0 HB2 SER A 127 30.594 15.966 -19.389 1.00 0.99 H new ATOM 0 HB3 SER A 127 29.845 15.488 -20.900 1.00 0.99 H new ATOM 0 HG SER A 127 31.224 13.830 -20.042 1.00 1.56 H new ATOM 1940 N GLN A 128 29.826 18.299 -19.960 1.00 0.79 N ATOM 1941 CA GLN A 128 28.956 19.437 -19.701 1.00 0.74 C ATOM 1942 C GLN A 128 28.411 19.329 -18.282 1.00 0.69 C ATOM 1943 O GLN A 128 28.099 18.226 -17.831 1.00 0.73 O ATOM 1944 CB GLN A 128 27.804 19.487 -20.718 1.00 0.86 C ATOM 1945 CG GLN A 128 26.937 18.233 -20.749 1.00 1.02 C ATOM 1946 CD GLN A 128 25.910 18.266 -21.866 1.00 1.43 C ATOM 1947 OE1 GLN A 128 26.150 18.841 -22.929 1.00 2.08 O ATOM 1948 NE2 GLN A 128 24.753 17.666 -21.625 1.00 1.88 N ATOM 0 H GLN A 128 29.864 17.632 -19.189 1.00 0.79 H new ATOM 0 HA GLN A 128 29.528 20.359 -19.804 1.00 0.74 H new ATOM 0 HB2 GLN A 128 27.172 20.346 -20.491 1.00 0.86 H new ATOM 0 HB3 GLN A 128 28.220 19.651 -21.712 1.00 0.86 H new ATOM 0 HG2 GLN A 128 27.574 17.357 -20.871 1.00 1.02 H new ATOM 0 HG3 GLN A 128 26.426 18.124 -19.792 1.00 1.02 H new ATOM 0 HE21 GLN A 128 24.596 17.201 -20.731 1.00 1.88 H new ATOM 0 HE22 GLN A 128 24.020 17.669 -22.334 1.00 1.88 H new ATOM 1957 N HIS A 129 28.324 20.439 -17.563 1.00 0.63 N ATOM 1958 CA HIS A 129 27.668 20.418 -16.261 1.00 0.60 C ATOM 1959 C HIS A 129 26.457 21.319 -16.276 1.00 0.58 C ATOM 1960 O HIS A 129 26.523 22.467 -16.718 1.00 0.54 O ATOM 1961 CB HIS A 129 28.593 20.822 -15.108 1.00 0.54 C ATOM 1962 CG HIS A 129 29.601 19.782 -14.710 1.00 0.58 C ATOM 1963 ND1 HIS A 129 29.939 18.609 -15.302 1.00 0.58 N flip ATOM 1964 CD2 HIS A 129 30.412 19.889 -13.600 1.00 0.65 C flip ATOM 1965 CE1 HIS A 129 30.954 18.002 -14.573 1.00 0.65 C flip ATOM 1966 NE2 HIS A 129 31.204 18.811 -13.564 1.00 0.68 N flip ATOM 0 H HIS A 129 28.690 21.347 -17.849 1.00 0.63 H new ATOM 0 HA HIS A 129 27.371 19.384 -16.083 1.00 0.60 H new ATOM 0 HB2 HIS A 129 29.123 21.732 -15.389 1.00 0.54 H new ATOM 0 HB3 HIS A 129 27.981 21.065 -14.239 1.00 0.54 H new ATOM 0 HD1 HIS A 129 29.515 18.232 -16.149 1.00 0.58 H new ATOM 0 HD2 HIS A 129 30.409 20.699 -12.886 1.00 0.65 H new ATOM 0 HE1 HIS A 129 31.438 17.061 -14.789 1.00 0.65 H new ATOM 1974 N GLU A 130 25.363 20.778 -15.792 1.00 0.64 N ATOM 1975 CA GLU A 130 24.086 21.457 -15.799 1.00 0.64 C ATOM 1976 C GLU A 130 23.936 22.265 -14.518 1.00 0.56 C ATOM 1977 O GLU A 130 24.332 21.806 -13.443 1.00 0.54 O ATOM 1978 CB GLU A 130 22.995 20.397 -15.907 1.00 0.77 C ATOM 1979 CG GLU A 130 21.714 20.842 -16.581 1.00 0.82 C ATOM 1980 CD GLU A 130 20.837 19.651 -16.911 1.00 0.98 C ATOM 1981 OE1 GLU A 130 20.308 19.600 -18.047 1.00 1.18 O ATOM 1982 OE2 GLU A 130 20.629 18.794 -16.033 1.00 1.19 O ATOM 0 H GLU A 130 25.333 19.846 -15.378 1.00 0.64 H new ATOM 0 HA GLU A 130 24.011 22.145 -16.641 1.00 0.64 H new ATOM 0 HB2 GLU A 130 23.395 19.544 -16.455 1.00 0.77 H new ATOM 0 HB3 GLU A 130 22.754 20.046 -14.904 1.00 0.77 H new ATOM 0 HG2 GLU A 130 21.174 21.527 -15.928 1.00 0.82 H new ATOM 0 HG3 GLU A 130 21.949 21.390 -17.493 1.00 0.82 H new ATOM 1989 N PHE A 131 23.391 23.466 -14.631 1.00 0.53 N ATOM 1990 CA PHE A 131 23.208 24.320 -13.471 1.00 0.46 C ATOM 1991 C PHE A 131 21.733 24.626 -13.247 1.00 0.51 C ATOM 1992 O PHE A 131 20.998 24.938 -14.180 1.00 0.74 O ATOM 1993 CB PHE A 131 24.025 25.619 -13.586 1.00 0.42 C ATOM 1994 CG PHE A 131 23.760 26.445 -14.815 1.00 0.48 C ATOM 1995 CD1 PHE A 131 22.814 27.457 -14.794 1.00 0.60 C ATOM 1996 CD2 PHE A 131 24.477 26.232 -15.979 1.00 0.46 C ATOM 1997 CE1 PHE A 131 22.589 28.239 -15.909 1.00 0.70 C ATOM 1998 CE2 PHE A 131 24.254 27.011 -17.100 1.00 0.56 C ATOM 1999 CZ PHE A 131 23.310 28.015 -17.066 1.00 0.68 C ATOM 0 H PHE A 131 23.069 23.869 -15.511 1.00 0.53 H new ATOM 0 HA PHE A 131 23.580 23.775 -12.604 1.00 0.46 H new ATOM 0 HB2 PHE A 131 23.825 26.232 -12.707 1.00 0.42 H new ATOM 0 HB3 PHE A 131 25.085 25.364 -13.562 1.00 0.42 H new ATOM 0 HD1 PHE A 131 22.245 27.636 -13.894 1.00 0.60 H new ATOM 0 HD2 PHE A 131 25.219 25.448 -16.013 1.00 0.46 H new ATOM 0 HE1 PHE A 131 21.850 29.026 -15.877 1.00 0.70 H new ATOM 0 HE2 PHE A 131 24.820 26.833 -18.002 1.00 0.56 H new ATOM 0 HZ PHE A 131 23.135 28.624 -17.940 1.00 0.68 H new ATOM 2009 N GLY A 132 21.318 24.521 -11.999 1.00 0.48 N ATOM 2010 CA GLY A 132 19.934 24.731 -11.632 1.00 0.51 C ATOM 2011 C GLY A 132 19.633 26.177 -11.305 1.00 0.50 C ATOM 2012 O GLY A 132 20.531 26.930 -10.937 1.00 0.47 O ATOM 0 H GLY A 132 21.929 24.289 -11.216 1.00 0.48 H new ATOM 0 HA2 GLY A 132 19.291 24.406 -12.450 1.00 0.51 H new ATOM 0 HA3 GLY A 132 19.692 24.109 -10.770 1.00 0.51 H new ATOM 2016 N ILE A 133 18.378 26.580 -11.479 1.00 0.54 N ATOM 2017 CA ILE A 133 17.930 27.917 -11.077 1.00 0.55 C ATOM 2018 C ILE A 133 18.304 28.201 -9.614 1.00 0.54 C ATOM 2019 O ILE A 133 18.502 29.353 -9.221 1.00 0.56 O ATOM 2020 CB ILE A 133 16.399 28.071 -11.258 1.00 0.60 C ATOM 2021 CG1 ILE A 133 15.948 29.511 -10.988 1.00 0.64 C ATOM 2022 CG2 ILE A 133 15.635 27.099 -10.367 1.00 0.61 C ATOM 2023 CD1 ILE A 133 16.251 30.468 -12.121 1.00 0.67 C ATOM 0 H ILE A 133 17.649 26.001 -11.896 1.00 0.54 H new ATOM 0 HA ILE A 133 18.434 28.637 -11.721 1.00 0.55 H new ATOM 0 HB ILE A 133 16.171 27.832 -12.297 1.00 0.60 H new ATOM 0 HG12 ILE A 133 14.875 29.516 -10.797 1.00 0.64 H new ATOM 0 HG13 ILE A 133 16.434 29.870 -10.081 1.00 0.64 H new ATOM 0 HG21 ILE A 133 14.564 27.232 -10.518 1.00 0.61 H new ATOM 0 HG22 ILE A 133 15.913 26.076 -10.622 1.00 0.61 H new ATOM 0 HG23 ILE A 133 15.881 27.292 -9.323 1.00 0.61 H new ATOM 0 HD11 ILE A 133 15.903 31.467 -11.857 1.00 0.67 H new ATOM 0 HD12 ILE A 133 17.326 30.494 -12.298 1.00 0.67 H new ATOM 0 HD13 ILE A 133 15.742 30.134 -13.025 1.00 0.67 H new ATOM 2035 N THR A 134 18.403 27.137 -8.822 1.00 0.57 N ATOM 2036 CA THR A 134 18.823 27.233 -7.435 1.00 0.61 C ATOM 2037 C THR A 134 20.329 27.473 -7.349 1.00 0.57 C ATOM 2038 O THR A 134 20.812 28.209 -6.487 1.00 0.61 O ATOM 2039 CB THR A 134 18.463 25.938 -6.681 1.00 0.71 C ATOM 2040 OG1 THR A 134 18.961 24.808 -7.408 1.00 1.35 O ATOM 2041 CG2 THR A 134 16.959 25.801 -6.517 1.00 0.86 C ATOM 0 H THR A 134 18.194 26.187 -9.127 1.00 0.57 H new ATOM 0 HA THR A 134 18.303 28.074 -6.976 1.00 0.61 H new ATOM 0 HB THR A 134 18.918 25.981 -5.692 1.00 0.71 H new ATOM 0 HG1 THR A 134 18.734 23.984 -6.928 1.00 1.35 H new ATOM 0 HG21 THR A 134 16.734 24.879 -5.982 1.00 0.86 H new ATOM 0 HG22 THR A 134 16.576 26.651 -5.952 1.00 0.86 H new ATOM 0 HG23 THR A 134 16.487 25.775 -7.499 1.00 0.86 H new ATOM 2049 N SER A 135 21.057 26.847 -8.264 1.00 0.54 N ATOM 2050 CA SER A 135 22.499 27.005 -8.360 1.00 0.57 C ATOM 2051 C SER A 135 22.863 28.428 -8.752 1.00 0.46 C ATOM 2052 O SER A 135 23.925 28.926 -8.376 1.00 0.44 O ATOM 2053 CB SER A 135 23.058 26.043 -9.405 1.00 0.72 C ATOM 2054 OG SER A 135 22.687 24.704 -9.128 1.00 1.10 O ATOM 0 H SER A 135 20.662 26.215 -8.961 1.00 0.54 H new ATOM 0 HA SER A 135 22.930 26.785 -7.383 1.00 0.57 H new ATOM 0 HB2 SER A 135 22.694 26.326 -10.393 1.00 0.72 H new ATOM 0 HB3 SER A 135 24.145 26.123 -9.430 1.00 0.72 H new ATOM 0 HG SER A 135 23.314 24.093 -9.569 1.00 1.10 H new ATOM 2060 N LEU A 136 21.975 29.064 -9.512 1.00 0.45 N ATOM 2061 CA LEU A 136 22.194 30.414 -10.023 1.00 0.43 C ATOM 2062 C LEU A 136 22.107 31.478 -8.931 1.00 0.47 C ATOM 2063 O LEU A 136 21.257 32.360 -8.990 1.00 0.53 O ATOM 2064 CB LEU A 136 21.206 30.731 -11.149 1.00 0.48 C ATOM 2065 CG LEU A 136 21.480 30.013 -12.471 1.00 0.81 C ATOM 2066 CD1 LEU A 136 20.358 30.287 -13.466 1.00 1.46 C ATOM 2067 CD2 LEU A 136 22.822 30.456 -13.048 1.00 1.24 C ATOM 0 H LEU A 136 21.082 28.657 -9.791 1.00 0.45 H new ATOM 0 HA LEU A 136 23.210 30.439 -10.416 1.00 0.43 H new ATOM 0 HB2 LEU A 136 20.202 30.472 -10.814 1.00 0.48 H new ATOM 0 HB3 LEU A 136 21.215 31.806 -11.328 1.00 0.48 H new ATOM 0 HG LEU A 136 21.521 28.940 -12.281 1.00 0.81 H new ATOM 0 HD11 LEU A 136 20.567 29.769 -14.402 1.00 1.46 H new ATOM 0 HD12 LEU A 136 19.413 29.929 -13.057 1.00 1.46 H new ATOM 0 HD13 LEU A 136 20.290 31.359 -13.652 1.00 1.46 H new ATOM 0 HD21 LEU A 136 23.003 29.936 -13.989 1.00 1.24 H new ATOM 0 HD22 LEU A 136 22.805 31.531 -13.225 1.00 1.24 H new ATOM 0 HD23 LEU A 136 23.618 30.217 -12.343 1.00 1.24 H new ATOM 2079 N VAL A 137 22.951 31.355 -7.914 1.00 0.49 N ATOM 2080 CA VAL A 137 23.065 32.367 -6.862 1.00 0.60 C ATOM 2081 C VAL A 137 23.125 33.777 -7.459 1.00 0.65 C ATOM 2082 O VAL A 137 22.480 34.705 -6.976 1.00 0.77 O ATOM 2083 CB VAL A 137 24.333 32.126 -6.013 1.00 0.63 C ATOM 2084 CG1 VAL A 137 24.485 33.187 -4.934 1.00 0.82 C ATOM 2085 CG2 VAL A 137 24.312 30.736 -5.397 1.00 0.59 C ATOM 0 H VAL A 137 23.574 30.557 -7.792 1.00 0.49 H new ATOM 0 HA VAL A 137 22.181 32.284 -6.230 1.00 0.60 H new ATOM 0 HB VAL A 137 25.195 32.197 -6.676 1.00 0.63 H new ATOM 0 HG11 VAL A 137 25.386 32.989 -4.354 1.00 0.82 H new ATOM 0 HG12 VAL A 137 24.561 34.170 -5.399 1.00 0.82 H new ATOM 0 HG13 VAL A 137 23.617 33.163 -4.275 1.00 0.82 H new ATOM 0 HG21 VAL A 137 25.214 30.587 -4.803 1.00 0.59 H new ATOM 0 HG22 VAL A 137 23.436 30.635 -4.757 1.00 0.59 H new ATOM 0 HG23 VAL A 137 24.271 29.988 -6.189 1.00 0.59 H new ATOM 2095 N ASN A 138 23.887 33.915 -8.533 1.00 0.59 N ATOM 2096 CA ASN A 138 24.069 35.205 -9.189 1.00 0.66 C ATOM 2097 C ASN A 138 23.165 35.328 -10.419 1.00 0.58 C ATOM 2098 O ASN A 138 23.521 35.980 -11.395 1.00 0.60 O ATOM 2099 CB ASN A 138 25.543 35.392 -9.582 1.00 0.76 C ATOM 2100 CG ASN A 138 26.028 34.363 -10.587 1.00 1.36 C ATOM 2101 OD1 ASN A 138 25.980 34.584 -11.791 1.00 2.08 O ATOM 2102 ND2 ASN A 138 26.498 33.225 -10.102 1.00 2.17 N ATOM 0 H ASN A 138 24.393 33.146 -8.972 1.00 0.59 H new ATOM 0 HA ASN A 138 23.788 35.991 -8.488 1.00 0.66 H new ATOM 0 HB2 ASN A 138 25.677 36.390 -10.000 1.00 0.76 H new ATOM 0 HB3 ASN A 138 26.161 35.335 -8.686 1.00 0.76 H new ATOM 0 HD21 ASN A 138 26.834 32.500 -10.736 1.00 2.17 H new ATOM 0 HD22 ASN A 138 26.524 33.072 -9.094 1.00 2.17 H new ATOM 2109 N LYS A 139 21.973 34.727 -10.339 1.00 0.55 N ATOM 2110 CA LYS A 139 21.007 34.707 -11.453 1.00 0.56 C ATOM 2111 C LYS A 139 20.681 36.113 -11.967 1.00 0.66 C ATOM 2112 O LYS A 139 20.218 36.283 -13.094 1.00 0.76 O ATOM 2113 CB LYS A 139 19.706 34.016 -11.007 1.00 0.62 C ATOM 2114 CG LYS A 139 19.001 34.727 -9.861 1.00 0.75 C ATOM 2115 CD LYS A 139 17.830 33.919 -9.302 1.00 0.96 C ATOM 2116 CE LYS A 139 18.280 32.618 -8.645 1.00 0.74 C ATOM 2117 NZ LYS A 139 17.205 32.013 -7.808 1.00 1.39 N ATOM 0 H LYS A 139 21.647 34.240 -9.504 1.00 0.55 H new ATOM 0 HA LYS A 139 21.470 34.152 -12.269 1.00 0.56 H new ATOM 0 HB2 LYS A 139 19.027 33.954 -11.858 1.00 0.62 H new ATOM 0 HB3 LYS A 139 19.933 32.994 -10.705 1.00 0.62 H new ATOM 0 HG2 LYS A 139 19.717 34.922 -9.063 1.00 0.75 H new ATOM 0 HG3 LYS A 139 18.638 35.695 -10.207 1.00 0.75 H new ATOM 0 HD2 LYS A 139 17.291 34.523 -8.572 1.00 0.96 H new ATOM 0 HD3 LYS A 139 17.131 33.693 -10.107 1.00 0.96 H new ATOM 0 HE2 LYS A 139 18.582 31.909 -9.415 1.00 0.74 H new ATOM 0 HE3 LYS A 139 19.157 32.809 -8.026 1.00 0.74 H new ATOM 0 HZ1 LYS A 139 17.380 30.993 -7.703 1.00 1.39 H new ATOM 0 HZ2 LYS A 139 17.201 32.462 -6.870 1.00 1.39 H new ATOM 0 HZ3 LYS A 139 16.283 32.161 -8.267 1.00 1.39 H new ATOM 2131 N ARG A 140 20.923 37.107 -11.131 1.00 0.73 N ATOM 2132 CA ARG A 140 20.587 38.484 -11.458 1.00 0.87 C ATOM 2133 C ARG A 140 21.700 39.177 -12.244 1.00 0.86 C ATOM 2134 O ARG A 140 21.495 40.267 -12.779 1.00 1.01 O ATOM 2135 CB ARG A 140 20.306 39.264 -10.176 1.00 1.03 C ATOM 2136 CG ARG A 140 21.550 39.615 -9.374 1.00 1.11 C ATOM 2137 CD ARG A 140 21.203 40.477 -8.171 1.00 1.39 C ATOM 2138 NE ARG A 140 22.390 40.908 -7.436 1.00 1.65 N ATOM 2139 CZ ARG A 140 22.381 41.258 -6.152 1.00 2.04 C ATOM 2140 NH1 ARG A 140 21.246 41.214 -5.464 1.00 2.31 N ATOM 2141 NH2 ARG A 140 23.502 41.654 -5.557 1.00 2.46 N ATOM 0 H ARG A 140 21.354 36.986 -10.214 1.00 0.73 H new ATOM 0 HA ARG A 140 19.698 38.464 -12.089 1.00 0.87 H new ATOM 0 HB2 ARG A 140 19.781 40.184 -10.432 1.00 1.03 H new ATOM 0 HB3 ARG A 140 19.635 38.678 -9.547 1.00 1.03 H new ATOM 0 HG2 ARG A 140 22.041 38.701 -9.040 1.00 1.11 H new ATOM 0 HG3 ARG A 140 22.259 40.143 -10.011 1.00 1.11 H new ATOM 0 HD2 ARG A 140 20.646 41.353 -8.503 1.00 1.39 H new ATOM 0 HD3 ARG A 140 20.548 39.918 -7.503 1.00 1.39 H new ATOM 0 HE ARG A 140 23.278 40.943 -7.937 1.00 1.65 H new ATOM 0 HH11 ARG A 140 20.385 40.913 -5.920 1.00 2.31 H new ATOM 0 HH12 ARG A 140 21.236 41.482 -4.480 1.00 2.31 H new ATOM 0 HH21 ARG A 140 24.374 41.691 -6.085 1.00 2.46 H new ATOM 0 HH22 ARG A 140 23.490 41.921 -4.573 1.00 2.46 H new ATOM 2155 N ASP A 141 22.871 38.554 -12.304 1.00 0.73 N ATOM 2156 CA ASP A 141 24.029 39.168 -12.960 1.00 0.75 C ATOM 2157 C ASP A 141 23.888 39.099 -14.478 1.00 0.72 C ATOM 2158 O ASP A 141 23.051 38.365 -15.001 1.00 0.75 O ATOM 2159 CB ASP A 141 25.334 38.482 -12.525 1.00 0.74 C ATOM 2160 CG ASP A 141 26.562 39.331 -12.813 1.00 1.24 C ATOM 2161 OD1 ASP A 141 26.750 40.372 -12.147 1.00 1.89 O ATOM 2162 OD2 ASP A 141 27.353 38.945 -13.701 1.00 1.57 O ATOM 0 H ASP A 141 23.048 37.630 -11.910 1.00 0.73 H new ATOM 0 HA ASP A 141 24.067 40.214 -12.656 1.00 0.75 H new ATOM 0 HB2 ASP A 141 25.288 38.265 -11.458 1.00 0.74 H new ATOM 0 HB3 ASP A 141 25.428 37.526 -13.041 1.00 0.74 H new ATOM 2167 N LEU A 142 24.723 39.853 -15.185 1.00 0.85 N ATOM 2168 CA LEU A 142 24.679 39.888 -16.643 1.00 0.92 C ATOM 2169 C LEU A 142 25.537 38.769 -17.231 1.00 0.80 C ATOM 2170 O LEU A 142 25.992 38.859 -18.373 1.00 1.03 O ATOM 2171 CB LEU A 142 25.152 41.250 -17.178 1.00 1.16 C ATOM 2172 CG LEU A 142 26.658 41.540 -17.075 1.00 2.05 C ATOM 2173 CD1 LEU A 142 27.018 42.758 -17.908 1.00 2.56 C ATOM 2174 CD2 LEU A 142 27.090 41.753 -15.630 1.00 2.88 C ATOM 0 H LEU A 142 25.440 40.449 -14.771 1.00 0.85 H new ATOM 0 HA LEU A 142 23.644 39.739 -16.950 1.00 0.92 H new ATOM 0 HB2 LEU A 142 24.861 41.325 -18.226 1.00 1.16 H new ATOM 0 HB3 LEU A 142 24.616 42.033 -16.641 1.00 1.16 H new ATOM 0 HG LEU A 142 27.189 40.669 -17.460 1.00 2.05 H new ATOM 0 HD11 LEU A 142 28.087 42.952 -17.826 1.00 2.56 H new ATOM 0 HD12 LEU A 142 26.762 42.574 -18.951 1.00 2.56 H new ATOM 0 HD13 LEU A 142 26.463 43.624 -17.545 1.00 2.56 H new ATOM 0 HD21 LEU A 142 28.160 41.955 -15.596 1.00 2.88 H new ATOM 0 HD22 LEU A 142 26.547 42.599 -15.209 1.00 2.88 H new ATOM 0 HD23 LEU A 142 26.872 40.857 -15.049 1.00 2.88 H new ATOM 2186 N LEU A 143 25.726 37.720 -16.433 1.00 0.90 N ATOM 2187 CA LEU A 143 26.539 36.563 -16.795 1.00 0.81 C ATOM 2188 C LEU A 143 26.244 36.093 -18.223 1.00 0.88 C ATOM 2189 O LEU A 143 25.120 35.695 -18.543 1.00 0.97 O ATOM 2190 CB LEU A 143 26.267 35.438 -15.791 1.00 0.70 C ATOM 2191 CG LEU A 143 27.305 34.318 -15.747 1.00 0.60 C ATOM 2192 CD1 LEU A 143 28.677 34.881 -15.412 1.00 0.65 C ATOM 2193 CD2 LEU A 143 26.900 33.268 -14.722 1.00 0.58 C ATOM 0 H LEU A 143 25.312 37.650 -15.503 1.00 0.90 H new ATOM 0 HA LEU A 143 27.591 36.845 -16.762 1.00 0.81 H new ATOM 0 HB2 LEU A 143 26.191 35.876 -14.796 1.00 0.70 H new ATOM 0 HB3 LEU A 143 25.296 34.999 -16.021 1.00 0.70 H new ATOM 0 HG LEU A 143 27.354 33.848 -16.729 1.00 0.60 H new ATOM 0 HD11 LEU A 143 29.406 34.071 -15.384 1.00 0.65 H new ATOM 0 HD12 LEU A 143 28.969 35.606 -16.172 1.00 0.65 H new ATOM 0 HD13 LEU A 143 28.642 35.371 -14.439 1.00 0.65 H new ATOM 0 HD21 LEU A 143 27.647 32.475 -14.699 1.00 0.58 H new ATOM 0 HD22 LEU A 143 26.830 33.729 -13.737 1.00 0.58 H new ATOM 0 HD23 LEU A 143 25.932 32.847 -14.995 1.00 0.58 H new ATOM 2205 N GLN A 144 27.255 36.158 -19.079 1.00 0.90 N ATOM 2206 CA GLN A 144 27.081 35.840 -20.491 1.00 1.00 C ATOM 2207 C GLN A 144 27.954 34.660 -20.903 1.00 0.92 C ATOM 2208 O GLN A 144 28.594 34.023 -20.066 1.00 0.84 O ATOM 2209 CB GLN A 144 27.433 37.054 -21.351 1.00 1.21 C ATOM 2210 CG GLN A 144 28.849 37.558 -21.126 1.00 1.27 C ATOM 2211 CD GLN A 144 29.300 38.535 -22.189 1.00 1.47 C ATOM 2212 OE1 GLN A 144 29.095 39.742 -22.070 1.00 1.71 O ATOM 2213 NE2 GLN A 144 29.928 38.021 -23.234 1.00 1.77 N ATOM 0 H GLN A 144 28.204 36.428 -18.821 1.00 0.90 H new ATOM 0 HA GLN A 144 26.036 35.570 -20.645 1.00 1.00 H new ATOM 0 HB2 GLN A 144 27.310 36.794 -22.402 1.00 1.21 H new ATOM 0 HB3 GLN A 144 26.730 37.859 -21.137 1.00 1.21 H new ATOM 0 HG2 GLN A 144 28.908 38.038 -20.149 1.00 1.27 H new ATOM 0 HG3 GLN A 144 29.533 36.709 -21.106 1.00 1.27 H new ATOM 0 HE21 GLN A 144 30.078 37.014 -23.294 1.00 1.77 H new ATOM 0 HE22 GLN A 144 30.262 38.632 -23.979 1.00 1.77 H new ATOM 2222 N LYS A 145 27.979 34.382 -22.202 1.00 0.97 N ATOM 2223 CA LYS A 145 28.818 33.327 -22.738 1.00 0.98 C ATOM 2224 C LYS A 145 30.288 33.702 -22.595 1.00 1.01 C ATOM 2225 O LYS A 145 30.662 34.860 -22.796 1.00 1.11 O ATOM 2226 CB LYS A 145 28.508 33.077 -24.215 1.00 1.06 C ATOM 2227 CG LYS A 145 29.361 31.975 -24.813 1.00 1.17 C ATOM 2228 CD LYS A 145 29.357 32.007 -26.330 1.00 1.25 C ATOM 2229 CE LYS A 145 30.268 30.927 -26.890 1.00 1.41 C ATOM 2230 NZ LYS A 145 30.487 31.079 -28.350 1.00 1.43 N ATOM 0 H LYS A 145 27.425 34.876 -22.901 1.00 0.97 H new ATOM 0 HA LYS A 145 28.612 32.417 -22.174 1.00 0.98 H new ATOM 0 HB2 LYS A 145 27.455 32.815 -24.322 1.00 1.06 H new ATOM 0 HB3 LYS A 145 28.666 33.998 -24.776 1.00 1.06 H new ATOM 0 HG2 LYS A 145 30.385 32.074 -24.452 1.00 1.17 H new ATOM 0 HG3 LYS A 145 28.994 31.007 -24.471 1.00 1.17 H new ATOM 0 HD2 LYS A 145 28.342 31.862 -26.700 1.00 1.25 H new ATOM 0 HD3 LYS A 145 29.686 32.986 -26.679 1.00 1.25 H new ATOM 0 HE2 LYS A 145 31.228 30.961 -26.375 1.00 1.41 H new ATOM 0 HE3 LYS A 145 29.833 29.948 -26.690 1.00 1.41 H new ATOM 0 HZ1 LYS A 145 31.114 30.321 -28.688 1.00 1.43 H new ATOM 0 HZ2 LYS A 145 29.575 31.020 -28.846 1.00 1.43 H new ATOM 0 HZ3 LYS A 145 30.926 32.002 -28.541 1.00 1.43 H new ATOM 2244 N GLY A 146 31.110 32.726 -22.248 1.00 0.97 N ATOM 2245 CA GLY A 146 32.534 32.967 -22.150 1.00 1.06 C ATOM 2246 C GLY A 146 32.939 33.482 -20.790 1.00 1.00 C ATOM 2247 O GLY A 146 34.120 33.715 -20.532 1.00 1.07 O ATOM 0 H GLY A 146 30.818 31.773 -22.033 1.00 0.97 H new ATOM 0 HA2 GLY A 146 33.071 32.042 -22.360 1.00 1.06 H new ATOM 0 HA3 GLY A 146 32.831 33.688 -22.912 1.00 1.06 H new ATOM 2251 N ASP A 147 31.959 33.655 -19.916 1.00 0.90 N ATOM 2252 CA ASP A 147 32.218 34.139 -18.568 1.00 0.87 C ATOM 2253 C ASP A 147 32.651 33.003 -17.664 1.00 0.72 C ATOM 2254 O ASP A 147 32.027 31.943 -17.649 1.00 0.63 O ATOM 2255 CB ASP A 147 30.982 34.814 -17.978 1.00 0.89 C ATOM 2256 CG ASP A 147 30.977 36.315 -18.177 1.00 1.35 C ATOM 2257 OD1 ASP A 147 29.884 36.920 -18.132 1.00 1.94 O ATOM 2258 OD2 ASP A 147 32.059 36.891 -18.423 1.00 1.60 O ATOM 0 H ASP A 147 30.977 33.467 -20.116 1.00 0.90 H new ATOM 0 HA ASP A 147 33.022 34.872 -18.633 1.00 0.87 H new ATOM 0 HB2 ASP A 147 30.089 34.389 -18.436 1.00 0.89 H new ATOM 0 HB3 ASP A 147 30.929 34.594 -16.912 1.00 0.89 H new ATOM 2263 N LEU A 148 33.723 33.230 -16.919 1.00 0.75 N ATOM 2264 CA LEU A 148 34.223 32.241 -15.974 1.00 0.66 C ATOM 2265 C LEU A 148 33.334 32.173 -14.741 1.00 0.60 C ATOM 2266 O LEU A 148 32.927 33.197 -14.200 1.00 0.63 O ATOM 2267 CB LEU A 148 35.660 32.566 -15.557 1.00 0.75 C ATOM 2268 CG LEU A 148 36.727 32.221 -16.593 1.00 0.93 C ATOM 2269 CD1 LEU A 148 38.055 32.840 -16.204 1.00 1.46 C ATOM 2270 CD2 LEU A 148 36.868 30.712 -16.726 1.00 1.79 C ATOM 0 H LEU A 148 34.265 34.093 -16.951 1.00 0.75 H new ATOM 0 HA LEU A 148 34.210 31.271 -16.471 1.00 0.66 H new ATOM 0 HB2 LEU A 148 35.725 33.630 -15.332 1.00 0.75 H new ATOM 0 HB3 LEU A 148 35.884 32.031 -14.634 1.00 0.75 H new ATOM 0 HG LEU A 148 36.420 32.627 -17.557 1.00 0.93 H new ATOM 0 HD11 LEU A 148 38.807 32.586 -16.951 1.00 1.46 H new ATOM 0 HD12 LEU A 148 37.949 33.923 -16.149 1.00 1.46 H new ATOM 0 HD13 LEU A 148 38.365 32.456 -15.232 1.00 1.46 H new ATOM 0 HD21 LEU A 148 37.632 30.482 -17.468 1.00 1.79 H new ATOM 0 HD22 LEU A 148 37.156 30.287 -15.764 1.00 1.79 H new ATOM 0 HD23 LEU A 148 35.916 30.284 -17.041 1.00 1.79 H new ATOM 2282 N VAL A 149 33.021 30.963 -14.312 1.00 0.53 N ATOM 2283 CA VAL A 149 32.213 30.762 -13.122 1.00 0.48 C ATOM 2284 C VAL A 149 32.885 29.797 -12.158 1.00 0.46 C ATOM 2285 O VAL A 149 33.665 28.932 -12.566 1.00 0.49 O ATOM 2286 CB VAL A 149 30.808 30.222 -13.470 1.00 0.50 C ATOM 2287 CG1 VAL A 149 29.979 31.288 -14.168 1.00 1.16 C ATOM 2288 CG2 VAL A 149 30.904 28.980 -14.341 1.00 1.10 C ATOM 0 H VAL A 149 33.315 30.102 -14.772 1.00 0.53 H new ATOM 0 HA VAL A 149 32.110 31.738 -12.648 1.00 0.48 H new ATOM 0 HB VAL A 149 30.314 29.952 -12.537 1.00 0.50 H new ATOM 0 HG11 VAL A 149 28.994 30.886 -14.404 1.00 1.16 H new ATOM 0 HG12 VAL A 149 29.871 32.152 -13.512 1.00 1.16 H new ATOM 0 HG13 VAL A 149 30.477 31.591 -15.089 1.00 1.16 H new ATOM 0 HG21 VAL A 149 29.902 28.619 -14.572 1.00 1.10 H new ATOM 0 HG22 VAL A 149 31.424 29.224 -15.267 1.00 1.10 H new ATOM 0 HG23 VAL A 149 31.455 28.204 -13.809 1.00 1.10 H new ATOM 2298 N SER A 150 32.600 29.970 -10.879 1.00 0.46 N ATOM 2299 CA SER A 150 33.038 29.032 -9.863 1.00 0.47 C ATOM 2300 C SER A 150 31.831 28.267 -9.350 1.00 0.41 C ATOM 2301 O SER A 150 30.772 28.850 -9.126 1.00 0.49 O ATOM 2302 CB SER A 150 33.738 29.768 -8.717 1.00 0.59 C ATOM 2303 OG SER A 150 32.919 30.799 -8.192 1.00 1.44 O ATOM 0 H SER A 150 32.063 30.759 -10.519 1.00 0.46 H new ATOM 0 HA SER A 150 33.755 28.334 -10.295 1.00 0.47 H new ATOM 0 HB2 SER A 150 33.988 29.061 -7.926 1.00 0.59 H new ATOM 0 HB3 SER A 150 34.677 30.192 -9.074 1.00 0.59 H new ATOM 0 HG SER A 150 32.553 31.333 -8.928 1.00 1.44 H new ATOM 2309 N PHE A 151 31.975 26.968 -9.196 1.00 0.34 N ATOM 2310 CA PHE A 151 30.874 26.134 -8.749 1.00 0.34 C ATOM 2311 C PHE A 151 31.400 24.891 -8.066 1.00 0.41 C ATOM 2312 O PHE A 151 32.599 24.603 -8.112 1.00 0.49 O ATOM 2313 CB PHE A 151 29.984 25.749 -9.933 1.00 0.30 C ATOM 2314 CG PHE A 151 30.738 25.131 -11.075 1.00 0.35 C ATOM 2315 CD1 PHE A 151 31.171 25.913 -12.133 1.00 0.39 C ATOM 2316 CD2 PHE A 151 31.034 23.777 -11.083 1.00 0.47 C ATOM 2317 CE1 PHE A 151 31.884 25.359 -13.174 1.00 0.53 C ATOM 2318 CE2 PHE A 151 31.742 23.218 -12.125 1.00 0.59 C ATOM 2319 CZ PHE A 151 32.171 24.012 -13.170 1.00 0.61 C ATOM 0 H PHE A 151 32.844 26.464 -9.373 1.00 0.34 H new ATOM 0 HA PHE A 151 30.278 26.701 -8.033 1.00 0.34 H new ATOM 0 HB2 PHE A 151 29.221 25.049 -9.591 1.00 0.30 H new ATOM 0 HB3 PHE A 151 29.464 26.638 -10.290 1.00 0.30 H new ATOM 0 HD1 PHE A 151 30.947 26.970 -12.142 1.00 0.39 H new ATOM 0 HD2 PHE A 151 30.706 23.154 -10.264 1.00 0.47 H new ATOM 0 HE1 PHE A 151 32.217 25.980 -13.992 1.00 0.53 H new ATOM 0 HE2 PHE A 151 31.961 22.160 -12.124 1.00 0.59 H new ATOM 0 HZ PHE A 151 32.732 23.577 -13.984 1.00 0.61 H new ATOM 2329 N ARG A 152 30.514 24.157 -7.422 1.00 0.44 N ATOM 2330 CA ARG A 152 30.914 22.932 -6.773 1.00 0.51 C ATOM 2331 C ARG A 152 29.971 21.803 -7.136 1.00 0.50 C ATOM 2332 O ARG A 152 28.761 21.915 -6.956 1.00 0.54 O ATOM 2333 CB ARG A 152 30.932 23.111 -5.248 1.00 0.69 C ATOM 2334 CG ARG A 152 31.902 24.178 -4.762 1.00 0.94 C ATOM 2335 CD ARG A 152 31.307 25.582 -4.827 1.00 1.05 C ATOM 2336 NE ARG A 152 32.309 26.616 -4.559 1.00 1.29 N ATOM 2337 CZ ARG A 152 32.059 27.928 -4.554 1.00 1.57 C ATOM 2338 NH1 ARG A 152 30.839 28.390 -4.804 1.00 2.03 N ATOM 2339 NH2 ARG A 152 33.048 28.781 -4.322 1.00 2.20 N ATOM 0 H ARG A 152 29.524 24.387 -7.336 1.00 0.44 H new ATOM 0 HA ARG A 152 31.918 22.683 -7.116 1.00 0.51 H new ATOM 0 HB2 ARG A 152 29.928 23.367 -4.911 1.00 0.69 H new ATOM 0 HB3 ARG A 152 31.192 22.160 -4.784 1.00 0.69 H new ATOM 0 HG2 ARG A 152 32.194 23.958 -3.735 1.00 0.94 H new ATOM 0 HG3 ARG A 152 32.809 24.143 -5.366 1.00 0.94 H new ATOM 0 HD2 ARG A 152 30.872 25.746 -5.813 1.00 1.05 H new ATOM 0 HD3 ARG A 152 30.497 25.666 -4.103 1.00 1.05 H new ATOM 0 HE ARG A 152 33.263 26.313 -4.363 1.00 1.29 H new ATOM 0 HH11 ARG A 152 30.078 27.740 -5.003 1.00 2.03 H new ATOM 0 HH12 ARG A 152 30.663 29.395 -4.797 1.00 2.03 H new ATOM 0 HH21 ARG A 152 33.991 28.433 -4.149 1.00 2.20 H new ATOM 0 HH22 ARG A 152 32.865 29.784 -4.317 1.00 2.20 H new ATOM 2353 N ILE A 153 30.527 20.735 -7.685 1.00 0.51 N ATOM 2354 CA ILE A 153 29.807 19.494 -7.822 1.00 0.56 C ATOM 2355 C ILE A 153 30.234 18.554 -6.701 1.00 0.65 C ATOM 2356 O ILE A 153 31.388 18.606 -6.267 1.00 0.75 O ATOM 2357 CB ILE A 153 30.029 18.836 -9.202 1.00 0.58 C ATOM 2358 CG1 ILE A 153 31.410 18.201 -9.319 1.00 1.23 C ATOM 2359 CG2 ILE A 153 29.841 19.861 -10.311 1.00 0.93 C ATOM 2360 CD1 ILE A 153 31.479 17.161 -10.416 1.00 1.24 C ATOM 0 H ILE A 153 31.482 20.710 -8.043 1.00 0.51 H new ATOM 0 HA ILE A 153 28.740 19.704 -7.750 1.00 0.56 H new ATOM 0 HB ILE A 153 29.288 18.043 -9.304 1.00 0.58 H new ATOM 0 HG12 ILE A 153 32.149 18.979 -9.513 1.00 1.23 H new ATOM 0 HG13 ILE A 153 31.676 17.739 -8.368 1.00 1.23 H new ATOM 0 HG21 ILE A 153 30.000 19.384 -11.278 1.00 0.93 H new ATOM 0 HG22 ILE A 153 28.829 20.263 -10.267 1.00 0.93 H new ATOM 0 HG23 ILE A 153 30.559 20.671 -10.183 1.00 0.93 H new ATOM 0 HD11 ILE A 153 32.484 16.741 -10.456 1.00 1.24 H new ATOM 0 HD12 ILE A 153 30.761 16.367 -10.210 1.00 1.24 H new ATOM 0 HD13 ILE A 153 31.242 17.625 -11.373 1.00 1.24 H new ATOM 2372 N ASP A 154 29.320 17.718 -6.220 1.00 0.71 N ATOM 2373 CA ASP A 154 29.641 16.771 -5.147 1.00 0.82 C ATOM 2374 C ASP A 154 28.457 15.846 -4.861 1.00 0.96 C ATOM 2375 O ASP A 154 28.352 14.779 -5.458 1.00 1.09 O ATOM 2376 CB ASP A 154 30.096 17.519 -3.878 1.00 0.84 C ATOM 2377 CG ASP A 154 30.294 16.621 -2.677 1.00 1.45 C ATOM 2378 OD1 ASP A 154 31.284 15.860 -2.653 1.00 1.92 O ATOM 2379 OD2 ASP A 154 29.465 16.686 -1.748 1.00 1.73 O ATOM 0 H ASP A 154 28.356 17.673 -6.550 1.00 0.71 H new ATOM 0 HA ASP A 154 30.470 16.146 -5.478 1.00 0.82 H new ATOM 0 HB2 ASP A 154 31.031 18.038 -4.089 1.00 0.84 H new ATOM 0 HB3 ASP A 154 29.356 18.281 -3.632 1.00 0.84 H new ATOM 2384 N GLU A 155 27.553 16.264 -3.979 1.00 1.00 N ATOM 2385 CA GLU A 155 26.369 15.463 -3.663 1.00 1.17 C ATOM 2386 C GLU A 155 25.389 15.430 -4.830 1.00 1.23 C ATOM 2387 O GLU A 155 24.816 14.389 -5.146 1.00 1.46 O ATOM 2388 CB GLU A 155 25.651 16.006 -2.426 1.00 1.25 C ATOM 2389 CG GLU A 155 26.382 15.754 -1.117 1.00 1.32 C ATOM 2390 CD GLU A 155 25.539 16.115 0.093 1.00 2.00 C ATOM 2391 OE1 GLU A 155 24.297 16.012 0.015 1.00 2.28 O ATOM 2392 OE2 GLU A 155 26.117 16.514 1.129 1.00 2.76 O ATOM 0 H GLU A 155 27.615 17.147 -3.472 1.00 1.00 H new ATOM 0 HA GLU A 155 26.718 14.450 -3.464 1.00 1.17 H new ATOM 0 HB2 GLU A 155 25.506 17.080 -2.547 1.00 1.25 H new ATOM 0 HB3 GLU A 155 24.660 15.555 -2.368 1.00 1.25 H new ATOM 0 HG2 GLU A 155 26.666 14.703 -1.059 1.00 1.32 H new ATOM 0 HG3 GLU A 155 27.304 16.335 -1.101 1.00 1.32 H new ATOM 2399 N SER A 156 25.203 16.576 -5.470 1.00 1.10 N ATOM 2400 CA SER A 156 24.238 16.689 -6.552 1.00 1.19 C ATOM 2401 C SER A 156 24.850 16.250 -7.884 1.00 1.14 C ATOM 2402 O SER A 156 24.130 15.950 -8.834 1.00 1.27 O ATOM 2403 CB SER A 156 23.733 18.138 -6.649 1.00 1.17 C ATOM 2404 OG SER A 156 22.828 18.308 -7.724 1.00 1.98 O ATOM 0 H SER A 156 25.706 17.438 -5.259 1.00 1.10 H new ATOM 0 HA SER A 156 23.398 16.029 -6.335 1.00 1.19 H new ATOM 0 HB2 SER A 156 23.244 18.416 -5.715 1.00 1.17 H new ATOM 0 HB3 SER A 156 24.581 18.811 -6.778 1.00 1.17 H new ATOM 0 HG SER A 156 22.527 19.240 -7.754 1.00 1.98 H new ATOM 2410 N GLY A 157 26.185 16.202 -7.949 1.00 1.04 N ATOM 2411 CA GLY A 157 26.860 15.851 -9.194 1.00 1.09 C ATOM 2412 C GLY A 157 26.833 16.977 -10.217 1.00 1.02 C ATOM 2413 O GLY A 157 27.700 17.062 -11.083 1.00 1.27 O ATOM 0 H GLY A 157 26.807 16.399 -7.165 1.00 1.04 H new ATOM 0 HA2 GLY A 157 27.895 15.587 -8.979 1.00 1.09 H new ATOM 0 HA3 GLY A 157 26.387 14.967 -9.621 1.00 1.09 H new ATOM 2417 N ARG A 158 25.837 17.841 -10.103 1.00 0.79 N ATOM 2418 CA ARG A 158 25.679 18.967 -11.006 1.00 0.72 C ATOM 2419 C ARG A 158 26.356 20.203 -10.435 1.00 0.56 C ATOM 2420 O ARG A 158 26.847 20.181 -9.305 1.00 0.57 O ATOM 2421 CB ARG A 158 24.194 19.252 -11.250 1.00 0.85 C ATOM 2422 CG ARG A 158 23.525 18.300 -12.233 1.00 1.47 C ATOM 2423 CD ARG A 158 22.027 18.553 -12.305 1.00 1.52 C ATOM 2424 NE ARG A 158 21.408 17.954 -13.488 1.00 2.12 N ATOM 2425 CZ ARG A 158 20.818 16.763 -13.515 1.00 2.75 C ATOM 2426 NH1 ARG A 158 20.824 15.976 -12.441 1.00 3.00 N ATOM 2427 NH2 ARG A 158 20.203 16.375 -14.621 1.00 3.61 N ATOM 0 H ARG A 158 25.117 17.781 -9.383 1.00 0.79 H new ATOM 0 HA ARG A 158 26.150 18.714 -11.956 1.00 0.72 H new ATOM 0 HB2 ARG A 158 23.666 19.203 -10.298 1.00 0.85 H new ATOM 0 HB3 ARG A 158 24.088 20.272 -11.621 1.00 0.85 H new ATOM 0 HG2 ARG A 158 23.966 18.424 -13.222 1.00 1.47 H new ATOM 0 HG3 ARG A 158 23.709 17.270 -11.929 1.00 1.47 H new ATOM 0 HD2 ARG A 158 21.552 18.152 -11.410 1.00 1.52 H new ATOM 0 HD3 ARG A 158 21.844 19.628 -12.309 1.00 1.52 H new ATOM 0 HE ARG A 158 21.431 18.490 -14.356 1.00 2.12 H new ATOM 0 HH11 ARG A 158 21.285 16.285 -11.585 1.00 3.00 H new ATOM 0 HH12 ARG A 158 20.368 15.064 -12.474 1.00 3.00 H new ATOM 0 HH21 ARG A 158 20.186 16.987 -15.437 1.00 3.61 H new ATOM 0 HH22 ARG A 158 19.746 15.464 -14.657 1.00 3.61 H new ATOM 2441 N ALA A 159 26.360 21.280 -11.207 1.00 0.48 N ATOM 2442 CA ALA A 159 27.022 22.505 -10.798 1.00 0.39 C ATOM 2443 C ALA A 159 26.084 23.353 -9.958 1.00 0.39 C ATOM 2444 O ALA A 159 25.087 23.882 -10.456 1.00 0.48 O ATOM 2445 CB ALA A 159 27.511 23.281 -12.014 1.00 0.37 C ATOM 0 H ALA A 159 25.911 21.328 -12.121 1.00 0.48 H new ATOM 0 HA ALA A 159 27.890 22.247 -10.191 1.00 0.39 H new ATOM 0 HB1 ALA A 159 28.005 24.196 -11.687 1.00 0.37 H new ATOM 0 HB2 ALA A 159 28.216 22.669 -12.576 1.00 0.37 H new ATOM 0 HB3 ALA A 159 26.662 23.534 -12.650 1.00 0.37 H new ATOM 2451 N ALA A 160 26.394 23.454 -8.677 1.00 0.38 N ATOM 2452 CA ALA A 160 25.585 24.228 -7.754 1.00 0.41 C ATOM 2453 C ALA A 160 26.422 25.293 -7.063 1.00 0.41 C ATOM 2454 O ALA A 160 27.651 25.194 -7.030 1.00 0.42 O ATOM 2455 CB ALA A 160 24.921 23.315 -6.734 1.00 0.49 C ATOM 0 H ALA A 160 27.206 23.006 -8.251 1.00 0.38 H new ATOM 0 HA ALA A 160 24.804 24.732 -8.323 1.00 0.41 H new ATOM 0 HB1 ALA A 160 24.318 23.912 -6.050 1.00 0.49 H new ATOM 0 HB2 ALA A 160 24.282 22.598 -7.249 1.00 0.49 H new ATOM 0 HB3 ALA A 160 25.686 22.780 -6.171 1.00 0.49 H new ATOM 2461 N CYS A 161 25.742 26.305 -6.524 1.00 0.47 N ATOM 2462 CA CYS A 161 26.397 27.416 -5.835 1.00 0.51 C ATOM 2463 C CYS A 161 27.351 28.147 -6.776 1.00 0.42 C ATOM 2464 O CYS A 161 28.462 28.511 -6.393 1.00 0.49 O ATOM 2465 CB CYS A 161 27.149 26.901 -4.605 1.00 0.63 C ATOM 2466 SG CYS A 161 26.123 25.952 -3.457 1.00 1.55 S ATOM 0 H CYS A 161 24.725 26.377 -6.553 1.00 0.47 H new ATOM 0 HA CYS A 161 25.633 28.122 -5.510 1.00 0.51 H new ATOM 0 HB2 CYS A 161 27.979 26.277 -4.935 1.00 0.63 H new ATOM 0 HB3 CYS A 161 27.580 27.750 -4.074 1.00 0.63 H new ATOM 0 HG CYS A 161 26.881 25.382 -2.568 1.00 1.55 H new ATOM 2472 N VAL A 162 26.902 28.370 -8.008 1.00 0.37 N ATOM 2473 CA VAL A 162 27.725 29.033 -9.006 1.00 0.35 C ATOM 2474 C VAL A 162 27.893 30.517 -8.676 1.00 0.39 C ATOM 2475 O VAL A 162 26.955 31.193 -8.243 1.00 0.48 O ATOM 2476 CB VAL A 162 27.151 28.880 -10.442 1.00 0.45 C ATOM 2477 CG1 VAL A 162 26.966 27.415 -10.814 1.00 1.15 C ATOM 2478 CG2 VAL A 162 25.841 29.630 -10.598 1.00 1.26 C ATOM 0 H VAL A 162 25.974 28.101 -8.335 1.00 0.37 H new ATOM 0 HA VAL A 162 28.698 28.543 -8.980 1.00 0.35 H new ATOM 0 HB VAL A 162 27.879 29.317 -11.125 1.00 0.45 H new ATOM 0 HG11 VAL A 162 26.563 27.344 -11.824 1.00 1.15 H new ATOM 0 HG12 VAL A 162 27.928 26.904 -10.770 1.00 1.15 H new ATOM 0 HG13 VAL A 162 26.274 26.946 -10.114 1.00 1.15 H new ATOM 0 HG21 VAL A 162 25.467 29.502 -11.614 1.00 1.26 H new ATOM 0 HG22 VAL A 162 25.111 29.238 -9.890 1.00 1.26 H new ATOM 0 HG23 VAL A 162 26.003 30.690 -10.402 1.00 1.26 H new ATOM 2488 N ASN A 163 29.106 31.002 -8.859 1.00 0.43 N ATOM 2489 CA ASN A 163 29.418 32.405 -8.663 1.00 0.53 C ATOM 2490 C ASN A 163 30.299 32.904 -9.811 1.00 0.52 C ATOM 2491 O ASN A 163 31.349 32.322 -10.085 1.00 0.53 O ATOM 2492 CB ASN A 163 30.115 32.604 -7.308 1.00 0.67 C ATOM 2493 CG ASN A 163 30.419 34.063 -6.996 1.00 1.29 C ATOM 2494 OD1 ASN A 163 29.521 34.959 -7.384 1.00 1.96 O flip ATOM 2495 ND2 ASN A 163 31.435 34.380 -6.377 1.00 2.05 N flip ATOM 0 H ASN A 163 29.903 30.435 -9.148 1.00 0.43 H new ATOM 0 HA ASN A 163 28.495 32.985 -8.659 1.00 0.53 H new ATOM 0 HB2 ASN A 163 29.484 32.195 -6.519 1.00 0.67 H new ATOM 0 HB3 ASN A 163 31.045 32.036 -7.299 1.00 0.67 H new ATOM 0 HD21 ASN A 163 32.104 33.664 -6.094 1.00 2.05 H new ATOM 0 HD22 ASN A 163 31.607 35.359 -6.147 1.00 2.05 H new ATOM 2502 N ALA A 164 29.842 33.953 -10.495 1.00 0.53 N ATOM 2503 CA ALA A 164 30.575 34.534 -11.614 1.00 0.56 C ATOM 2504 C ALA A 164 31.952 35.010 -11.173 1.00 0.63 C ATOM 2505 O ALA A 164 32.078 35.775 -10.217 1.00 0.75 O ATOM 2506 CB ALA A 164 29.776 35.684 -12.208 1.00 0.60 C ATOM 0 H ALA A 164 28.959 34.420 -10.289 1.00 0.53 H new ATOM 0 HA ALA A 164 30.716 33.768 -12.376 1.00 0.56 H new ATOM 0 HB1 ALA A 164 30.326 36.116 -13.044 1.00 0.60 H new ATOM 0 HB2 ALA A 164 28.813 35.314 -12.560 1.00 0.60 H new ATOM 0 HB3 ALA A 164 29.615 36.447 -11.446 1.00 0.60 H new ATOM 2512 N VAL A 165 32.974 34.536 -11.863 1.00 0.62 N ATOM 2513 CA VAL A 165 34.346 34.871 -11.530 1.00 0.70 C ATOM 2514 C VAL A 165 34.932 35.824 -12.563 1.00 0.71 C ATOM 2515 O VAL A 165 34.941 35.533 -13.758 1.00 0.95 O ATOM 2516 CB VAL A 165 35.236 33.612 -11.445 1.00 1.07 C ATOM 2517 CG1 VAL A 165 36.678 33.991 -11.144 1.00 1.43 C ATOM 2518 CG2 VAL A 165 34.707 32.649 -10.395 1.00 1.56 C ATOM 0 H VAL A 165 32.877 33.912 -12.664 1.00 0.62 H new ATOM 0 HA VAL A 165 34.328 35.353 -10.552 1.00 0.70 H new ATOM 0 HB VAL A 165 35.209 33.112 -12.413 1.00 1.07 H new ATOM 0 HG11 VAL A 165 37.287 33.089 -11.088 1.00 1.43 H new ATOM 0 HG12 VAL A 165 37.057 34.637 -11.936 1.00 1.43 H new ATOM 0 HG13 VAL A 165 36.724 34.519 -10.192 1.00 1.43 H new ATOM 0 HG21 VAL A 165 35.349 31.769 -10.352 1.00 1.56 H new ATOM 0 HG22 VAL A 165 34.699 33.140 -9.422 1.00 1.56 H new ATOM 0 HG23 VAL A 165 33.693 32.346 -10.657 1.00 1.56 H new ATOM 2528 N ARG A 166 35.389 36.972 -12.097 1.00 0.84 N ATOM 2529 CA ARG A 166 36.047 37.935 -12.962 1.00 1.15 C ATOM 2530 C ARG A 166 37.530 37.999 -12.605 1.00 1.13 C ATOM 2531 O ARG A 166 37.892 38.339 -11.478 1.00 1.05 O ATOM 2532 CB ARG A 166 35.386 39.319 -12.844 1.00 1.51 C ATOM 2533 CG ARG A 166 34.067 39.456 -13.606 1.00 1.76 C ATOM 2534 CD ARG A 166 32.989 38.520 -13.068 1.00 1.58 C ATOM 2535 NE ARG A 166 31.715 38.645 -13.785 1.00 1.94 N ATOM 2536 CZ ARG A 166 31.480 38.129 -14.999 1.00 2.24 C ATOM 2537 NH1 ARG A 166 32.455 37.539 -15.681 1.00 2.45 N ATOM 2538 NH2 ARG A 166 30.266 38.216 -15.537 1.00 2.94 N ATOM 0 H ARG A 166 35.316 37.261 -11.122 1.00 0.84 H new ATOM 0 HA ARG A 166 35.946 37.616 -13.999 1.00 1.15 H new ATOM 0 HB2 ARG A 166 35.207 39.534 -11.791 1.00 1.51 H new ATOM 0 HB3 ARG A 166 36.083 40.073 -13.209 1.00 1.51 H new ATOM 0 HG2 ARG A 166 33.717 40.486 -13.540 1.00 1.76 H new ATOM 0 HG3 ARG A 166 34.236 39.244 -14.662 1.00 1.76 H new ATOM 0 HD2 ARG A 166 33.340 37.491 -13.139 1.00 1.58 H new ATOM 0 HD3 ARG A 166 32.827 38.730 -12.011 1.00 1.58 H new ATOM 0 HE ARG A 166 30.960 39.158 -13.330 1.00 1.94 H new ATOM 0 HH11 ARG A 166 33.391 37.476 -15.281 1.00 2.45 H new ATOM 0 HH12 ARG A 166 32.268 37.149 -16.605 1.00 2.45 H new ATOM 0 HH21 ARG A 166 29.513 38.676 -15.025 1.00 2.94 H new ATOM 0 HH22 ARG A 166 30.088 37.823 -16.461 1.00 2.94 H new