USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 893 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 Single : A 9 GLN : amide:sc= -1.75! C(o=-1.8!,f=-6.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.934 K(o=-0.93,f=-4.4!) USER MOD Single : A 15 GLN : amide:sc= -2! K(o=-2!,f=-3) USER MOD Single : A 17 TYR OH : rot -130:sc= -0.878 USER MOD Single : A 20 ASN : amide:sc= -1.02! C(o=-1!,f=-12!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 103:sc= 0.865 USER MOD Single : A 36 MET CE :methyl -172:sc= -3.45 (180deg=-3.56) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0483) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0235 USER MOD Single : A 44 ASN : amide:sc= -0.459 K(o=-0.46,f=-3!) USER MOD Single : A 52 SER OG : rot 32:sc= 0.0103 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.96 USER MOD Single : A 61 ASN : amide:sc= -4.93! C(o=-4.9!,f=-11!) USER MOD Single : A 74 ASN : amide:sc= -1.48! C(o=-1.5!,f=-2.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -2.59! K(o=-2.6!,f=-0.22) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -1.34 K(o=-1.3,f=-3!) USER MOD Single : A 102 TYR OH : rot 140:sc= -0.782! USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.221) USER MOD Single : A 105 TYR OH : rot 180:sc= -1.31! USER MOD Single : A 107 TYR OH : rot 30:sc= -0.657 USER MOD Single : A 109 TYR OH : rot 150:sc= -2.12 USER MOD Single : A 111 CYS SG : rot 100:sc= -0.0628 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -163:sc= -0.0964 (180deg=-0.848) USER MOD Single : A 115 ASN : amide:sc= -0.882 K(o=-0.88,f=-3.7!) USER MOD Single : A 117 SER OG : rot 109:sc= -2.44! USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.0148 USER MOD Single : A 123 GLN : amide:sc= -0.186 K(o=-0.19,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 8 111.518 -13.748 14.411 1.00 0.99 N ATOM 79 CA GLU A 8 111.015 -14.158 13.071 1.00 0.90 C ATOM 80 C GLU A 8 111.800 -13.410 11.993 1.00 0.74 C ATOM 81 O GLU A 8 112.267 -13.991 11.038 1.00 0.67 O ATOM 82 CB GLU A 8 109.530 -13.811 12.952 1.00 0.97 C ATOM 83 CG GLU A 8 108.985 -14.343 11.626 1.00 1.25 C ATOM 84 CD GLU A 8 107.463 -14.208 11.612 1.00 1.64 C ATOM 85 OE1 GLU A 8 106.908 -13.910 12.655 1.00 2.06 O ATOM 86 OE2 GLU A 8 106.877 -14.412 10.562 1.00 2.30 O ATOM 0 HA GLU A 8 111.145 -15.233 12.944 1.00 0.90 H new ATOM 0 HB2 GLU A 8 108.977 -14.245 13.785 1.00 0.97 H new ATOM 0 HB3 GLU A 8 109.393 -12.731 13.006 1.00 0.97 H new ATOM 0 HG2 GLU A 8 109.418 -13.788 10.794 1.00 1.25 H new ATOM 0 HG3 GLU A 8 109.270 -15.387 11.496 1.00 1.25 H new ATOM 93 N GLN A 9 111.960 -12.127 12.149 1.00 0.72 N ATOM 94 CA GLN A 9 112.724 -11.340 11.142 1.00 0.64 C ATOM 95 C GLN A 9 114.188 -11.787 11.187 1.00 0.55 C ATOM 96 O GLN A 9 114.927 -11.661 10.228 1.00 0.51 O ATOM 97 CB GLN A 9 112.627 -9.848 11.484 1.00 0.78 C ATOM 98 CG GLN A 9 113.068 -9.011 10.282 1.00 1.09 C ATOM 99 CD GLN A 9 112.985 -7.524 10.637 1.00 1.86 C ATOM 100 OE1 GLN A 9 113.981 -6.829 10.632 1.00 2.55 O ATOM 101 NE2 GLN A 9 111.831 -7.004 10.946 1.00 2.58 N ATOM 0 H GLN A 9 111.594 -11.587 12.933 1.00 0.72 H new ATOM 0 HA GLN A 9 112.316 -11.504 10.144 1.00 0.64 H new ATOM 0 HB2 GLN A 9 111.603 -9.594 11.759 1.00 0.78 H new ATOM 0 HB3 GLN A 9 113.254 -9.622 12.346 1.00 0.78 H new ATOM 0 HG2 GLN A 9 114.088 -9.272 9.998 1.00 1.09 H new ATOM 0 HG3 GLN A 9 112.433 -9.227 9.423 1.00 1.09 H new ATOM 0 HE21 GLN A 9 110.994 -7.587 10.951 1.00 2.58 H new ATOM 0 HE22 GLN A 9 111.765 -6.014 11.183 1.00 2.58 H new ATOM 110 N PHE A 10 114.611 -12.292 12.313 1.00 0.58 N ATOM 111 CA PHE A 10 116.026 -12.733 12.466 1.00 0.57 C ATOM 112 C PHE A 10 116.319 -13.939 11.561 1.00 0.48 C ATOM 113 O PHE A 10 117.183 -13.884 10.706 1.00 0.43 O ATOM 114 CB PHE A 10 116.248 -13.124 13.929 1.00 0.67 C ATOM 115 CG PHE A 10 117.726 -13.260 14.205 1.00 0.73 C ATOM 116 CD1 PHE A 10 118.549 -12.129 14.148 1.00 0.94 C ATOM 117 CD2 PHE A 10 118.273 -14.510 14.524 1.00 1.13 C ATOM 118 CE1 PHE A 10 119.919 -12.247 14.408 1.00 1.12 C ATOM 119 CE2 PHE A 10 119.644 -14.627 14.784 1.00 1.34 C ATOM 120 CZ PHE A 10 120.466 -13.495 14.726 1.00 1.19 C ATOM 0 H PHE A 10 114.030 -12.419 13.142 1.00 0.58 H new ATOM 0 HA PHE A 10 116.695 -11.922 12.178 1.00 0.57 H new ATOM 0 HB2 PHE A 10 115.814 -12.370 14.586 1.00 0.67 H new ATOM 0 HB3 PHE A 10 115.741 -14.064 14.144 1.00 0.67 H new ATOM 0 HD1 PHE A 10 118.127 -11.166 13.903 1.00 0.94 H new ATOM 0 HD2 PHE A 10 117.638 -15.382 14.569 1.00 1.13 H new ATOM 0 HE1 PHE A 10 120.554 -11.375 14.363 1.00 1.12 H new ATOM 0 HE2 PHE A 10 120.067 -15.590 15.029 1.00 1.34 H new ATOM 0 HZ PHE A 10 121.523 -13.585 14.927 1.00 1.19 H new ATOM 130 N LYS A 11 115.616 -15.027 11.730 1.00 0.49 N ATOM 131 CA LYS A 11 115.886 -16.208 10.860 1.00 0.46 C ATOM 132 C LYS A 11 115.651 -15.820 9.400 1.00 0.39 C ATOM 133 O LYS A 11 116.283 -16.340 8.501 1.00 0.38 O ATOM 134 CB LYS A 11 114.983 -17.382 11.259 1.00 0.56 C ATOM 135 CG LYS A 11 113.512 -17.020 11.050 1.00 0.70 C ATOM 136 CD LYS A 11 112.641 -18.191 11.509 1.00 0.77 C ATOM 137 CE LYS A 11 111.193 -17.953 11.082 1.00 1.74 C ATOM 138 NZ LYS A 11 110.384 -19.171 11.366 1.00 2.29 N ATOM 0 H LYS A 11 114.877 -15.149 12.422 1.00 0.49 H new ATOM 0 HA LYS A 11 116.922 -16.522 10.985 1.00 0.46 H new ATOM 0 HB2 LYS A 11 115.235 -18.261 10.666 1.00 0.56 H new ATOM 0 HB3 LYS A 11 115.155 -17.642 12.303 1.00 0.56 H new ATOM 0 HG2 LYS A 11 113.262 -16.121 11.613 1.00 0.70 H new ATOM 0 HG3 LYS A 11 113.324 -16.800 9.999 1.00 0.70 H new ATOM 0 HD2 LYS A 11 113.009 -19.122 11.078 1.00 0.77 H new ATOM 0 HD3 LYS A 11 112.698 -18.297 12.592 1.00 0.77 H new ATOM 0 HE2 LYS A 11 110.781 -17.097 11.617 1.00 1.74 H new ATOM 0 HE3 LYS A 11 111.151 -17.715 10.019 1.00 1.74 H new ATOM 0 HZ1 LYS A 11 109.399 -19.009 11.075 1.00 2.29 H new ATOM 0 HZ2 LYS A 11 110.773 -19.977 10.837 1.00 2.29 H new ATOM 0 HZ3 LYS A 11 110.415 -19.378 12.385 1.00 2.29 H new ATOM 152 N GLN A 12 114.764 -14.895 9.155 1.00 0.38 N ATOM 153 CA GLN A 12 114.514 -14.462 7.751 1.00 0.38 C ATOM 154 C GLN A 12 115.806 -13.861 7.186 1.00 0.35 C ATOM 155 O GLN A 12 116.041 -13.859 5.996 1.00 0.41 O ATOM 156 CB GLN A 12 113.383 -13.431 7.714 1.00 0.45 C ATOM 157 CG GLN A 12 112.040 -14.146 7.894 1.00 0.84 C ATOM 158 CD GLN A 12 110.904 -13.122 7.877 1.00 1.10 C ATOM 159 OE1 GLN A 12 111.106 -11.967 8.195 1.00 1.71 O ATOM 160 NE2 GLN A 12 109.709 -13.498 7.514 1.00 1.66 N ATOM 0 H GLN A 12 114.203 -14.422 9.863 1.00 0.38 H new ATOM 0 HA GLN A 12 114.214 -15.317 7.145 1.00 0.38 H new ATOM 0 HB2 GLN A 12 113.523 -12.692 8.503 1.00 0.45 H new ATOM 0 HB3 GLN A 12 113.397 -12.892 6.766 1.00 0.45 H new ATOM 0 HG2 GLN A 12 111.896 -14.876 7.098 1.00 0.84 H new ATOM 0 HG3 GLN A 12 112.033 -14.696 8.835 1.00 0.84 H new ATOM 0 HE21 GLN A 12 109.539 -14.468 7.247 1.00 1.66 H new ATOM 0 HE22 GLN A 12 108.945 -12.823 7.497 1.00 1.66 H new ATOM 169 N VAL A 13 116.657 -13.353 8.027 1.00 0.36 N ATOM 170 CA VAL A 13 117.938 -12.794 7.516 1.00 0.39 C ATOM 171 C VAL A 13 118.836 -13.958 7.090 1.00 0.37 C ATOM 172 O VAL A 13 119.530 -13.894 6.099 1.00 0.39 O ATOM 173 CB VAL A 13 118.631 -11.971 8.602 1.00 0.47 C ATOM 174 CG1 VAL A 13 120.034 -11.575 8.132 1.00 1.03 C ATOM 175 CG2 VAL A 13 117.813 -10.711 8.892 1.00 0.99 C ATOM 0 H VAL A 13 116.525 -13.300 9.037 1.00 0.36 H new ATOM 0 HA VAL A 13 117.742 -12.139 6.667 1.00 0.39 H new ATOM 0 HB VAL A 13 118.710 -12.568 9.511 1.00 0.47 H new ATOM 0 HG11 VAL A 13 120.526 -10.988 8.908 1.00 1.03 H new ATOM 0 HG12 VAL A 13 120.618 -12.473 7.932 1.00 1.03 H new ATOM 0 HG13 VAL A 13 119.958 -10.981 7.221 1.00 1.03 H new ATOM 0 HG21 VAL A 13 118.309 -10.126 9.666 1.00 0.99 H new ATOM 0 HG22 VAL A 13 117.730 -10.114 7.984 1.00 0.99 H new ATOM 0 HG23 VAL A 13 116.817 -10.994 9.233 1.00 0.99 H new ATOM 185 N ARG A 14 118.837 -15.026 7.839 1.00 0.38 N ATOM 186 CA ARG A 14 119.701 -16.181 7.467 1.00 0.41 C ATOM 187 C ARG A 14 119.397 -16.605 6.026 1.00 0.40 C ATOM 188 O ARG A 14 120.290 -16.754 5.216 1.00 0.40 O ATOM 189 CB ARG A 14 119.435 -17.348 8.421 1.00 0.47 C ATOM 190 CG ARG A 14 120.362 -18.514 8.072 1.00 0.97 C ATOM 191 CD ARG A 14 120.307 -19.564 9.184 1.00 1.39 C ATOM 192 NE ARG A 14 121.085 -19.077 10.359 1.00 2.04 N ATOM 193 CZ ARG A 14 121.511 -19.922 11.258 1.00 2.29 C ATOM 194 NH1 ARG A 14 122.022 -21.065 10.889 1.00 2.77 N ATOM 195 NH2 ARG A 14 121.428 -19.623 12.525 1.00 2.77 N ATOM 0 H ARG A 14 118.282 -15.149 8.686 1.00 0.38 H new ATOM 0 HA ARG A 14 120.749 -15.891 7.541 1.00 0.41 H new ATOM 0 HB2 ARG A 14 119.600 -17.034 9.452 1.00 0.47 H new ATOM 0 HB3 ARG A 14 118.394 -17.662 8.347 1.00 0.47 H new ATOM 0 HG2 ARG A 14 120.062 -18.959 7.123 1.00 0.97 H new ATOM 0 HG3 ARG A 14 121.384 -18.155 7.947 1.00 0.97 H new ATOM 0 HD2 ARG A 14 119.273 -19.753 9.471 1.00 1.39 H new ATOM 0 HD3 ARG A 14 120.717 -20.509 8.828 1.00 1.39 H new ATOM 0 HE ARG A 14 121.285 -18.082 10.460 1.00 2.04 H new ATOM 0 HH11 ARG A 14 122.088 -21.298 9.898 1.00 2.77 H new ATOM 0 HH12 ARG A 14 122.355 -21.725 11.591 1.00 2.77 H new ATOM 0 HH21 ARG A 14 121.030 -18.729 12.813 1.00 2.77 H new ATOM 0 HH22 ARG A 14 121.761 -20.283 13.228 1.00 2.77 H new ATOM 209 N GLN A 15 118.148 -16.788 5.690 1.00 0.42 N ATOM 210 CA GLN A 15 117.812 -17.186 4.292 1.00 0.45 C ATOM 211 C GLN A 15 118.311 -16.105 3.323 1.00 0.44 C ATOM 212 O GLN A 15 118.662 -16.393 2.196 1.00 0.47 O ATOM 213 CB GLN A 15 116.298 -17.368 4.145 1.00 0.52 C ATOM 214 CG GLN A 15 115.598 -16.141 4.693 1.00 0.78 C ATOM 215 CD GLN A 15 114.082 -16.295 4.554 1.00 1.35 C ATOM 216 OE1 GLN A 15 113.334 -15.423 4.950 1.00 1.93 O ATOM 217 NE2 GLN A 15 113.594 -17.375 4.010 1.00 2.08 N ATOM 0 H GLN A 15 117.351 -16.680 6.318 1.00 0.42 H new ATOM 0 HA GLN A 15 118.299 -18.133 4.059 1.00 0.45 H new ATOM 0 HB2 GLN A 15 116.036 -17.514 3.097 1.00 0.52 H new ATOM 0 HB3 GLN A 15 115.972 -18.259 4.682 1.00 0.52 H new ATOM 0 HG2 GLN A 15 115.862 -15.999 5.741 1.00 0.78 H new ATOM 0 HG3 GLN A 15 115.932 -15.252 4.157 1.00 0.78 H new ATOM 0 HE21 GLN A 15 114.222 -18.107 3.678 1.00 2.08 H new ATOM 0 HE22 GLN A 15 112.585 -17.488 3.917 1.00 2.08 H new ATOM 226 N LEU A 16 118.364 -14.864 3.749 1.00 0.42 N ATOM 227 CA LEU A 16 118.864 -13.795 2.831 1.00 0.45 C ATOM 228 C LEU A 16 120.365 -14.017 2.595 1.00 0.44 C ATOM 229 O LEU A 16 120.909 -13.623 1.585 1.00 0.49 O ATOM 230 CB LEU A 16 118.610 -12.401 3.452 1.00 0.48 C ATOM 231 CG LEU A 16 117.204 -11.876 3.051 1.00 0.63 C ATOM 232 CD1 LEU A 16 116.595 -11.051 4.193 1.00 1.46 C ATOM 233 CD2 LEU A 16 117.318 -10.990 1.803 1.00 0.90 C ATOM 0 H LEU A 16 118.087 -14.550 4.679 1.00 0.42 H new ATOM 0 HA LEU A 16 118.335 -13.841 1.879 1.00 0.45 H new ATOM 0 HB2 LEU A 16 118.687 -12.460 4.538 1.00 0.48 H new ATOM 0 HB3 LEU A 16 119.376 -11.702 3.116 1.00 0.48 H new ATOM 0 HG LEU A 16 116.562 -12.732 2.843 1.00 0.63 H new ATOM 0 HD11 LEU A 16 115.610 -10.690 3.896 1.00 1.46 H new ATOM 0 HD12 LEU A 16 116.500 -11.675 5.082 1.00 1.46 H new ATOM 0 HD13 LEU A 16 117.241 -10.201 4.413 1.00 1.46 H new ATOM 0 HD21 LEU A 16 116.330 -10.624 1.525 1.00 0.90 H new ATOM 0 HD22 LEU A 16 117.972 -10.144 2.016 1.00 0.90 H new ATOM 0 HD23 LEU A 16 117.734 -11.572 0.980 1.00 0.90 H new ATOM 245 N TYR A 17 121.035 -14.658 3.515 1.00 0.40 N ATOM 246 CA TYR A 17 122.495 -14.925 3.333 1.00 0.42 C ATOM 247 C TYR A 17 122.680 -16.227 2.540 1.00 0.45 C ATOM 248 O TYR A 17 123.575 -16.349 1.727 1.00 0.49 O ATOM 249 CB TYR A 17 123.166 -15.073 4.712 1.00 0.42 C ATOM 250 CG TYR A 17 123.612 -13.727 5.231 1.00 0.37 C ATOM 251 CD1 TYR A 17 124.871 -13.233 4.877 1.00 0.37 C ATOM 252 CD2 TYR A 17 122.775 -12.981 6.068 1.00 0.36 C ATOM 253 CE1 TYR A 17 125.297 -11.992 5.359 1.00 0.35 C ATOM 254 CE2 TYR A 17 123.202 -11.738 6.553 1.00 0.35 C ATOM 255 CZ TYR A 17 124.463 -11.245 6.197 1.00 0.34 C ATOM 256 OH TYR A 17 124.887 -10.023 6.674 1.00 0.35 O ATOM 0 H TYR A 17 120.636 -15.009 4.386 1.00 0.40 H new ATOM 0 HA TYR A 17 122.950 -14.096 2.791 1.00 0.42 H new ATOM 0 HB2 TYR A 17 122.468 -15.527 5.415 1.00 0.42 H new ATOM 0 HB3 TYR A 17 124.023 -15.742 4.636 1.00 0.42 H new ATOM 0 HD1 TYR A 17 125.515 -13.811 4.231 1.00 0.37 H new ATOM 0 HD2 TYR A 17 121.802 -13.363 6.340 1.00 0.36 H new ATOM 0 HE1 TYR A 17 126.269 -11.610 5.085 1.00 0.35 H new ATOM 0 HE2 TYR A 17 122.559 -11.161 7.201 1.00 0.35 H new ATOM 0 HH TYR A 17 124.756 -9.987 7.645 1.00 0.35 H new ATOM 266 N GLU A 18 121.857 -17.210 2.793 1.00 0.45 N ATOM 267 CA GLU A 18 122.006 -18.512 2.079 1.00 0.50 C ATOM 268 C GLU A 18 121.582 -18.383 0.615 1.00 0.52 C ATOM 269 O GLU A 18 121.616 -19.344 -0.128 1.00 0.56 O ATOM 270 CB GLU A 18 121.146 -19.582 2.756 1.00 0.51 C ATOM 271 CG GLU A 18 121.611 -19.778 4.200 1.00 0.52 C ATOM 272 CD GLU A 18 120.756 -20.857 4.867 1.00 1.25 C ATOM 273 OE1 GLU A 18 119.775 -21.264 4.267 1.00 2.01 O ATOM 274 OE2 GLU A 18 121.103 -21.267 5.963 1.00 1.88 O ATOM 0 H GLU A 18 121.089 -17.168 3.463 1.00 0.45 H new ATOM 0 HA GLU A 18 123.056 -18.800 2.120 1.00 0.50 H new ATOM 0 HB2 GLU A 18 120.097 -19.285 2.738 1.00 0.51 H new ATOM 0 HB3 GLU A 18 121.220 -20.522 2.209 1.00 0.51 H new ATOM 0 HG2 GLU A 18 122.662 -20.068 4.219 1.00 0.52 H new ATOM 0 HG3 GLU A 18 121.528 -18.841 4.751 1.00 0.52 H new ATOM 281 N ILE A 19 121.182 -17.220 0.180 1.00 0.51 N ATOM 282 CA ILE A 19 120.763 -17.082 -1.244 1.00 0.55 C ATOM 283 C ILE A 19 121.859 -17.655 -2.145 1.00 0.57 C ATOM 284 O ILE A 19 121.584 -18.276 -3.153 1.00 0.63 O ATOM 285 CB ILE A 19 120.540 -15.606 -1.587 1.00 0.54 C ATOM 286 CG1 ILE A 19 119.335 -15.079 -0.804 1.00 0.55 C ATOM 287 CG2 ILE A 19 120.274 -15.465 -3.090 1.00 0.58 C ATOM 288 CD1 ILE A 19 119.253 -13.558 -0.952 1.00 0.56 C ATOM 0 H ILE A 19 121.127 -16.369 0.740 1.00 0.51 H new ATOM 0 HA ILE A 19 119.831 -17.625 -1.400 1.00 0.55 H new ATOM 0 HB ILE A 19 121.427 -15.032 -1.320 1.00 0.54 H new ATOM 0 HG12 ILE A 19 118.419 -15.540 -1.173 1.00 0.55 H new ATOM 0 HG13 ILE A 19 119.426 -15.348 0.248 1.00 0.55 H new ATOM 0 HG21 ILE A 19 120.115 -14.415 -3.334 1.00 0.58 H new ATOM 0 HG22 ILE A 19 121.131 -15.842 -3.648 1.00 0.58 H new ATOM 0 HG23 ILE A 19 119.386 -16.038 -3.358 1.00 0.58 H new ATOM 0 HD11 ILE A 19 118.395 -13.184 -0.394 1.00 0.56 H new ATOM 0 HD12 ILE A 19 120.165 -13.105 -0.562 1.00 0.56 H new ATOM 0 HD13 ILE A 19 119.141 -13.300 -2.005 1.00 0.56 H new ATOM 300 N ASN A 20 123.100 -17.460 -1.788 1.00 0.56 N ATOM 301 CA ASN A 20 124.208 -18.000 -2.622 1.00 0.61 C ATOM 302 C ASN A 20 125.533 -17.801 -1.883 1.00 0.62 C ATOM 303 O ASN A 20 125.590 -17.162 -0.851 1.00 0.59 O ATOM 304 CB ASN A 20 124.245 -17.260 -3.968 1.00 0.62 C ATOM 305 CG ASN A 20 124.984 -18.108 -5.006 1.00 1.52 C ATOM 306 OD1 ASN A 20 125.819 -18.921 -4.662 1.00 2.35 O ATOM 307 ND2 ASN A 20 124.704 -17.956 -6.272 1.00 2.19 N ATOM 0 H ASN A 20 123.393 -16.950 -0.955 1.00 0.56 H new ATOM 0 HA ASN A 20 124.049 -19.063 -2.804 1.00 0.61 H new ATOM 0 HB2 ASN A 20 123.230 -17.055 -4.309 1.00 0.62 H new ATOM 0 HB3 ASN A 20 124.743 -16.297 -3.851 1.00 0.62 H new ATOM 0 HD21 ASN A 20 125.186 -18.520 -6.972 1.00 2.19 H new ATOM 0 HD22 ASN A 20 124.003 -17.274 -6.561 1.00 2.19 H new ATOM 314 N ASP A 21 126.601 -18.341 -2.404 1.00 0.71 N ATOM 315 CA ASP A 21 127.926 -18.183 -1.736 1.00 0.75 C ATOM 316 C ASP A 21 128.621 -16.942 -2.296 1.00 0.68 C ATOM 317 O ASP A 21 129.809 -16.754 -2.128 1.00 0.68 O ATOM 318 CB ASP A 21 128.788 -19.418 -2.013 1.00 0.91 C ATOM 319 CG ASP A 21 129.041 -19.537 -3.517 1.00 1.71 C ATOM 320 OD1 ASP A 21 128.326 -18.898 -4.271 1.00 2.43 O ATOM 321 OD2 ASP A 21 129.947 -20.264 -3.889 1.00 2.42 O ATOM 0 H ASP A 21 126.614 -18.886 -3.266 1.00 0.71 H new ATOM 0 HA ASP A 21 127.786 -18.074 -0.661 1.00 0.75 H new ATOM 0 HB2 ASP A 21 129.735 -19.341 -1.479 1.00 0.91 H new ATOM 0 HB3 ASP A 21 128.287 -20.314 -1.646 1.00 0.91 H new ATOM 326 N ASP A 22 127.886 -16.094 -2.964 1.00 0.64 N ATOM 327 CA ASP A 22 128.502 -14.866 -3.539 1.00 0.62 C ATOM 328 C ASP A 22 129.226 -14.088 -2.416 1.00 0.56 C ATOM 329 O ASP A 22 128.579 -13.595 -1.514 1.00 0.53 O ATOM 330 CB ASP A 22 127.395 -13.983 -4.121 1.00 0.61 C ATOM 331 CG ASP A 22 128.007 -12.700 -4.687 1.00 1.37 C ATOM 332 OD1 ASP A 22 129.196 -12.499 -4.497 1.00 2.04 O ATOM 333 OD2 ASP A 22 127.278 -11.940 -5.302 1.00 2.12 O ATOM 0 H ASP A 22 126.886 -16.199 -3.136 1.00 0.64 H new ATOM 0 HA ASP A 22 129.214 -15.138 -4.319 1.00 0.62 H new ATOM 0 HB2 ASP A 22 126.862 -14.520 -4.905 1.00 0.61 H new ATOM 0 HB3 ASP A 22 126.666 -13.740 -3.348 1.00 0.61 H new ATOM 338 N PRO A 23 130.546 -13.963 -2.439 1.00 0.59 N ATOM 339 CA PRO A 23 131.245 -13.213 -1.355 1.00 0.60 C ATOM 340 C PRO A 23 130.832 -11.734 -1.314 1.00 0.56 C ATOM 341 O PRO A 23 130.720 -11.140 -0.260 1.00 0.54 O ATOM 342 CB PRO A 23 132.737 -13.367 -1.729 1.00 0.71 C ATOM 343 CG PRO A 23 132.840 -14.198 -3.025 1.00 0.74 C ATOM 344 CD PRO A 23 131.418 -14.542 -3.506 1.00 0.66 C ATOM 0 HA PRO A 23 131.005 -13.593 -0.362 1.00 0.60 H new ATOM 0 HB2 PRO A 23 133.194 -12.388 -1.871 1.00 0.71 H new ATOM 0 HB3 PRO A 23 133.280 -13.858 -0.921 1.00 0.71 H new ATOM 0 HG2 PRO A 23 133.373 -13.637 -3.792 1.00 0.74 H new ATOM 0 HG3 PRO A 23 133.409 -15.110 -2.845 1.00 0.74 H new ATOM 0 HD2 PRO A 23 131.206 -14.104 -4.481 1.00 0.66 H new ATOM 0 HD3 PRO A 23 131.275 -15.618 -3.603 1.00 0.66 H new ATOM 352 N LYS A 24 130.621 -11.136 -2.453 1.00 0.58 N ATOM 353 CA LYS A 24 130.235 -9.699 -2.479 1.00 0.60 C ATOM 354 C LYS A 24 128.922 -9.514 -1.711 1.00 0.52 C ATOM 355 O LYS A 24 128.810 -8.665 -0.849 1.00 0.51 O ATOM 356 CB LYS A 24 130.058 -9.257 -3.934 1.00 0.69 C ATOM 357 CG LYS A 24 129.977 -7.731 -4.009 1.00 1.28 C ATOM 358 CD LYS A 24 129.869 -7.299 -5.474 1.00 1.63 C ATOM 359 CE LYS A 24 130.148 -5.799 -5.590 1.00 2.29 C ATOM 360 NZ LYS A 24 130.058 -5.385 -7.019 1.00 2.81 N ATOM 0 H LYS A 24 130.699 -11.581 -3.367 1.00 0.58 H new ATOM 0 HA LYS A 24 131.011 -9.094 -2.009 1.00 0.60 H new ATOM 0 HB2 LYS A 24 130.893 -9.615 -4.536 1.00 0.69 H new ATOM 0 HB3 LYS A 24 129.152 -9.699 -4.350 1.00 0.69 H new ATOM 0 HG2 LYS A 24 129.113 -7.374 -3.448 1.00 1.28 H new ATOM 0 HG3 LYS A 24 130.860 -7.286 -3.551 1.00 1.28 H new ATOM 0 HD2 LYS A 24 130.579 -7.859 -6.082 1.00 1.63 H new ATOM 0 HD3 LYS A 24 128.874 -7.525 -5.858 1.00 1.63 H new ATOM 0 HE2 LYS A 24 129.430 -5.238 -4.992 1.00 2.29 H new ATOM 0 HE3 LYS A 24 131.138 -5.571 -5.196 1.00 2.29 H new ATOM 0 HZ1 LYS A 24 130.248 -4.365 -7.098 1.00 2.81 H new ATOM 0 HZ2 LYS A 24 130.759 -5.912 -7.578 1.00 2.81 H new ATOM 0 HZ3 LYS A 24 129.104 -5.589 -7.380 1.00 2.81 H new ATOM 374 N ARG A 25 127.930 -10.308 -2.012 1.00 0.47 N ATOM 375 CA ARG A 25 126.627 -10.186 -1.294 1.00 0.42 C ATOM 376 C ARG A 25 126.838 -10.424 0.201 1.00 0.37 C ATOM 377 O ARG A 25 126.358 -9.680 1.033 1.00 0.35 O ATOM 378 CB ARG A 25 125.651 -11.228 -1.842 1.00 0.43 C ATOM 379 CG ARG A 25 124.302 -11.113 -1.121 1.00 0.42 C ATOM 380 CD ARG A 25 123.299 -12.082 -1.754 1.00 0.50 C ATOM 381 NE ARG A 25 123.312 -11.909 -3.241 1.00 1.45 N ATOM 382 CZ ARG A 25 122.198 -11.747 -3.907 1.00 2.16 C ATOM 383 NH1 ARG A 25 121.331 -12.719 -3.975 1.00 2.57 N ATOM 384 NH2 ARG A 25 121.958 -10.614 -4.508 1.00 3.13 N ATOM 0 H ARG A 25 127.965 -11.037 -2.725 1.00 0.47 H new ATOM 0 HA ARG A 25 126.221 -9.186 -1.445 1.00 0.42 H new ATOM 0 HB2 ARG A 25 125.514 -11.082 -2.913 1.00 0.43 H new ATOM 0 HB3 ARG A 25 126.061 -12.229 -1.707 1.00 0.43 H new ATOM 0 HG2 ARG A 25 124.424 -11.340 -0.062 1.00 0.42 H new ATOM 0 HG3 ARG A 25 123.928 -10.091 -1.188 1.00 0.42 H new ATOM 0 HD2 ARG A 25 123.555 -13.109 -1.494 1.00 0.50 H new ATOM 0 HD3 ARG A 25 122.299 -11.894 -1.364 1.00 0.50 H new ATOM 0 HE ARG A 25 124.201 -11.918 -3.741 1.00 1.45 H new ATOM 0 HH11 ARG A 25 121.522 -13.606 -3.509 1.00 2.57 H new ATOM 0 HH12 ARG A 25 120.462 -12.592 -4.494 1.00 2.57 H new ATOM 0 HH21 ARG A 25 122.639 -9.856 -4.458 1.00 3.13 H new ATOM 0 HH22 ARG A 25 121.090 -10.486 -5.028 1.00 3.13 H new ATOM 398 N LYS A 26 127.549 -11.461 0.548 1.00 0.39 N ATOM 399 CA LYS A 26 127.786 -11.753 1.988 1.00 0.38 C ATOM 400 C LYS A 26 128.513 -10.570 2.623 1.00 0.37 C ATOM 401 O LYS A 26 128.166 -10.114 3.694 1.00 0.36 O ATOM 402 CB LYS A 26 128.658 -13.005 2.114 1.00 0.43 C ATOM 403 CG LYS A 26 128.809 -13.383 3.589 1.00 0.70 C ATOM 404 CD LYS A 26 129.681 -14.636 3.706 1.00 0.75 C ATOM 405 CE LYS A 26 129.650 -15.151 5.146 1.00 1.28 C ATOM 406 NZ LYS A 26 130.559 -16.325 5.273 1.00 1.73 N ATOM 0 H LYS A 26 127.976 -12.119 -0.104 1.00 0.39 H new ATOM 0 HA LYS A 26 126.834 -11.918 2.492 1.00 0.38 H new ATOM 0 HB2 LYS A 26 128.208 -13.830 1.562 1.00 0.43 H new ATOM 0 HB3 LYS A 26 129.638 -12.823 1.673 1.00 0.43 H new ATOM 0 HG2 LYS A 26 129.260 -12.560 4.143 1.00 0.70 H new ATOM 0 HG3 LYS A 26 127.830 -13.565 4.031 1.00 0.70 H new ATOM 0 HD2 LYS A 26 129.320 -15.407 3.026 1.00 0.75 H new ATOM 0 HD3 LYS A 26 130.706 -14.407 3.413 1.00 0.75 H new ATOM 0 HE2 LYS A 26 129.959 -14.362 5.832 1.00 1.28 H new ATOM 0 HE3 LYS A 26 128.634 -15.433 5.421 1.00 1.28 H new ATOM 0 HZ1 LYS A 26 130.538 -16.676 6.252 1.00 1.73 H new ATOM 0 HZ2 LYS A 26 130.245 -17.078 4.629 1.00 1.73 H new ATOM 0 HZ3 LYS A 26 131.529 -16.041 5.027 1.00 1.73 H new ATOM 420 N GLU A 27 129.524 -10.072 1.969 1.00 0.40 N ATOM 421 CA GLU A 27 130.280 -8.923 2.531 1.00 0.42 C ATOM 422 C GLU A 27 129.359 -7.699 2.630 1.00 0.39 C ATOM 423 O GLU A 27 129.390 -6.969 3.600 1.00 0.39 O ATOM 424 CB GLU A 27 131.467 -8.606 1.616 1.00 0.49 C ATOM 425 CG GLU A 27 132.400 -7.610 2.307 1.00 1.27 C ATOM 426 CD GLU A 27 133.645 -7.396 1.443 1.00 1.67 C ATOM 427 OE1 GLU A 27 133.546 -6.675 0.464 1.00 2.20 O ATOM 428 OE2 GLU A 27 134.677 -7.955 1.777 1.00 2.27 O ATOM 0 H GLU A 27 129.859 -10.413 1.068 1.00 0.40 H new ATOM 0 HA GLU A 27 130.645 -9.175 3.527 1.00 0.42 H new ATOM 0 HB2 GLU A 27 132.009 -9.521 1.377 1.00 0.49 H new ATOM 0 HB3 GLU A 27 131.111 -8.191 0.673 1.00 0.49 H new ATOM 0 HG2 GLU A 27 131.886 -6.662 2.464 1.00 1.27 H new ATOM 0 HG3 GLU A 27 132.686 -7.984 3.290 1.00 1.27 H new ATOM 435 N PHE A 28 128.546 -7.464 1.631 1.00 0.39 N ATOM 436 CA PHE A 28 127.635 -6.281 1.673 1.00 0.38 C ATOM 437 C PHE A 28 126.627 -6.405 2.826 1.00 0.32 C ATOM 438 O PHE A 28 126.434 -5.479 3.588 1.00 0.32 O ATOM 439 CB PHE A 28 126.869 -6.162 0.347 1.00 0.40 C ATOM 440 CG PHE A 28 125.784 -5.118 0.497 1.00 0.40 C ATOM 441 CD1 PHE A 28 124.552 -5.484 1.047 1.00 0.38 C ATOM 442 CD2 PHE A 28 126.017 -3.791 0.124 1.00 0.44 C ATOM 443 CE1 PHE A 28 123.549 -4.528 1.221 1.00 0.41 C ATOM 444 CE2 PHE A 28 125.014 -2.829 0.303 1.00 0.46 C ATOM 445 CZ PHE A 28 123.779 -3.201 0.852 1.00 0.44 C ATOM 0 H PHE A 28 128.474 -8.038 0.791 1.00 0.39 H new ATOM 0 HA PHE A 28 128.245 -5.391 1.831 1.00 0.38 H new ATOM 0 HB2 PHE A 28 127.550 -5.884 -0.458 1.00 0.40 H new ATOM 0 HB3 PHE A 28 126.432 -7.123 0.077 1.00 0.40 H new ATOM 0 HD1 PHE A 28 124.375 -6.509 1.338 1.00 0.38 H new ATOM 0 HD2 PHE A 28 126.968 -3.508 -0.301 1.00 0.44 H new ATOM 0 HE1 PHE A 28 122.596 -4.815 1.641 1.00 0.41 H new ATOM 0 HE2 PHE A 28 125.192 -1.803 0.018 1.00 0.46 H new ATOM 0 HZ PHE A 28 123.005 -2.461 0.990 1.00 0.44 H new ATOM 455 N LEU A 29 125.956 -7.520 2.941 1.00 0.29 N ATOM 456 CA LEU A 29 124.939 -7.653 4.024 1.00 0.25 C ATOM 457 C LEU A 29 125.619 -7.477 5.377 1.00 0.24 C ATOM 458 O LEU A 29 125.158 -6.736 6.223 1.00 0.23 O ATOM 459 CB LEU A 29 124.291 -9.043 3.968 1.00 0.24 C ATOM 460 CG LEU A 29 123.431 -9.197 2.697 1.00 0.28 C ATOM 461 CD1 LEU A 29 123.269 -10.686 2.366 1.00 0.32 C ATOM 462 CD2 LEU A 29 122.034 -8.579 2.911 1.00 0.31 C ATOM 0 H LEU A 29 126.066 -8.336 2.339 1.00 0.29 H new ATOM 0 HA LEU A 29 124.172 -6.891 3.888 1.00 0.25 H new ATOM 0 HB2 LEU A 29 125.065 -9.811 3.984 1.00 0.24 H new ATOM 0 HB3 LEU A 29 123.672 -9.196 4.852 1.00 0.24 H new ATOM 0 HG LEU A 29 123.929 -8.681 1.877 1.00 0.28 H new ATOM 0 HD11 LEU A 29 122.661 -10.795 1.468 1.00 0.32 H new ATOM 0 HD12 LEU A 29 124.250 -11.130 2.196 1.00 0.32 H new ATOM 0 HD13 LEU A 29 122.780 -11.193 3.198 1.00 0.32 H new ATOM 0 HD21 LEU A 29 121.441 -8.697 2.004 1.00 0.31 H new ATOM 0 HD22 LEU A 29 121.536 -9.084 3.738 1.00 0.31 H new ATOM 0 HD23 LEU A 29 122.137 -7.519 3.142 1.00 0.31 H new ATOM 474 N ASP A 30 126.717 -8.137 5.587 1.00 0.28 N ATOM 475 CA ASP A 30 127.421 -7.991 6.884 1.00 0.31 C ATOM 476 C ASP A 30 127.738 -6.511 7.099 1.00 0.32 C ATOM 477 O ASP A 30 127.652 -5.999 8.197 1.00 0.33 O ATOM 478 CB ASP A 30 128.718 -8.804 6.856 1.00 0.38 C ATOM 479 CG ASP A 30 129.341 -8.825 8.253 1.00 1.16 C ATOM 480 OD1 ASP A 30 128.972 -7.985 9.058 1.00 2.00 O ATOM 481 OD2 ASP A 30 130.174 -9.682 8.496 1.00 1.72 O ATOM 0 H ASP A 30 127.157 -8.770 4.919 1.00 0.28 H new ATOM 0 HA ASP A 30 126.794 -8.357 7.697 1.00 0.31 H new ATOM 0 HB2 ASP A 30 128.514 -9.821 6.522 1.00 0.38 H new ATOM 0 HB3 ASP A 30 129.417 -8.368 6.142 1.00 0.38 H new ATOM 486 N ASP A 31 128.103 -5.819 6.052 1.00 0.34 N ATOM 487 CA ASP A 31 128.424 -4.371 6.192 1.00 0.37 C ATOM 488 C ASP A 31 127.146 -3.566 6.465 1.00 0.35 C ATOM 489 O ASP A 31 127.076 -2.807 7.410 1.00 0.37 O ATOM 490 CB ASP A 31 129.073 -3.867 4.901 1.00 0.41 C ATOM 491 CG ASP A 31 130.481 -4.451 4.774 1.00 1.25 C ATOM 492 OD1 ASP A 31 130.818 -5.313 5.569 1.00 1.93 O ATOM 493 OD2 ASP A 31 131.195 -4.033 3.877 1.00 2.00 O ATOM 0 H ASP A 31 128.192 -6.195 5.108 1.00 0.34 H new ATOM 0 HA ASP A 31 129.111 -4.241 7.028 1.00 0.37 H new ATOM 0 HB2 ASP A 31 128.469 -4.157 4.041 1.00 0.41 H new ATOM 0 HB3 ASP A 31 129.119 -2.778 4.906 1.00 0.41 H new ATOM 498 N LEU A 32 126.134 -3.714 5.648 1.00 0.32 N ATOM 499 CA LEU A 32 124.878 -2.941 5.885 1.00 0.32 C ATOM 500 C LEU A 32 124.293 -3.287 7.255 1.00 0.31 C ATOM 501 O LEU A 32 124.005 -2.417 8.048 1.00 0.34 O ATOM 502 CB LEU A 32 123.861 -3.254 4.776 1.00 0.31 C ATOM 503 CG LEU A 32 122.478 -2.685 5.133 1.00 0.31 C ATOM 504 CD1 LEU A 32 122.587 -1.197 5.480 1.00 0.34 C ATOM 505 CD2 LEU A 32 121.549 -2.853 3.932 1.00 0.33 C ATOM 0 H LEU A 32 126.122 -4.330 4.835 1.00 0.32 H new ATOM 0 HA LEU A 32 125.107 -1.875 5.867 1.00 0.32 H new ATOM 0 HB2 LEU A 32 124.202 -2.829 3.832 1.00 0.31 H new ATOM 0 HB3 LEU A 32 123.791 -4.332 4.633 1.00 0.31 H new ATOM 0 HG LEU A 32 122.083 -3.221 5.996 1.00 0.31 H new ATOM 0 HD11 LEU A 32 121.600 -0.809 5.730 1.00 0.34 H new ATOM 0 HD12 LEU A 32 123.254 -1.070 6.333 1.00 0.34 H new ATOM 0 HD13 LEU A 32 122.985 -0.652 4.624 1.00 0.34 H new ATOM 0 HD21 LEU A 32 120.565 -2.452 4.175 1.00 0.33 H new ATOM 0 HD22 LEU A 32 121.959 -2.315 3.077 1.00 0.33 H new ATOM 0 HD23 LEU A 32 121.460 -3.911 3.686 1.00 0.33 H new ATOM 517 N PHE A 33 124.118 -4.543 7.553 1.00 0.31 N ATOM 518 CA PHE A 33 123.543 -4.898 8.880 1.00 0.33 C ATOM 519 C PHE A 33 124.415 -4.285 9.982 1.00 0.36 C ATOM 520 O PHE A 33 123.918 -3.846 10.997 1.00 0.40 O ATOM 521 CB PHE A 33 123.492 -6.425 9.051 1.00 0.37 C ATOM 522 CG PHE A 33 122.290 -7.000 8.317 1.00 0.41 C ATOM 523 CD1 PHE A 33 120.985 -6.642 8.697 1.00 0.38 C ATOM 524 CD2 PHE A 33 122.482 -7.901 7.259 1.00 0.83 C ATOM 525 CE1 PHE A 33 119.885 -7.183 8.015 1.00 0.39 C ATOM 526 CE2 PHE A 33 121.381 -8.440 6.585 1.00 0.92 C ATOM 527 CZ PHE A 33 120.084 -8.082 6.960 1.00 0.58 C ATOM 0 H PHE A 33 124.344 -5.330 6.945 1.00 0.31 H new ATOM 0 HA PHE A 33 122.528 -4.507 8.947 1.00 0.33 H new ATOM 0 HB2 PHE A 33 124.409 -6.871 8.666 1.00 0.37 H new ATOM 0 HB3 PHE A 33 123.435 -6.677 10.110 1.00 0.37 H new ATOM 0 HD1 PHE A 33 120.829 -5.952 9.513 1.00 0.38 H new ATOM 0 HD2 PHE A 33 123.483 -8.179 6.964 1.00 0.83 H new ATOM 0 HE1 PHE A 33 118.882 -6.905 8.304 1.00 0.39 H new ATOM 0 HE2 PHE A 33 121.534 -9.135 5.773 1.00 0.92 H new ATOM 0 HZ PHE A 33 119.236 -8.498 6.437 1.00 0.58 H new ATOM 537 N SER A 34 125.710 -4.266 9.796 1.00 0.36 N ATOM 538 CA SER A 34 126.611 -3.699 10.846 1.00 0.43 C ATOM 539 C SER A 34 126.289 -2.221 11.124 1.00 0.42 C ATOM 540 O SER A 34 126.132 -1.821 12.260 1.00 0.45 O ATOM 541 CB SER A 34 128.061 -3.804 10.376 1.00 0.48 C ATOM 542 OG SER A 34 128.426 -5.173 10.277 1.00 1.19 O ATOM 0 H SER A 34 126.183 -4.618 8.964 1.00 0.36 H new ATOM 0 HA SER A 34 126.459 -4.267 11.764 1.00 0.43 H new ATOM 0 HB2 SER A 34 128.178 -3.314 9.409 1.00 0.48 H new ATOM 0 HB3 SER A 34 128.720 -3.290 11.076 1.00 0.48 H new ATOM 0 HG SER A 34 128.425 -5.445 9.335 1.00 1.19 H new ATOM 548 N PHE A 35 126.208 -1.401 10.109 1.00 0.40 N ATOM 549 CA PHE A 35 125.921 0.050 10.346 1.00 0.42 C ATOM 550 C PHE A 35 124.590 0.218 11.083 1.00 0.40 C ATOM 551 O PHE A 35 124.521 0.817 12.138 1.00 0.45 O ATOM 552 CB PHE A 35 125.839 0.774 9.002 1.00 0.41 C ATOM 553 CG PHE A 35 125.616 2.249 9.237 1.00 0.47 C ATOM 554 CD1 PHE A 35 124.326 2.731 9.490 1.00 0.46 C ATOM 555 CD2 PHE A 35 126.701 3.133 9.209 1.00 0.56 C ATOM 556 CE1 PHE A 35 124.121 4.098 9.712 1.00 0.53 C ATOM 557 CE2 PHE A 35 126.495 4.500 9.431 1.00 0.62 C ATOM 558 CZ PHE A 35 125.206 4.982 9.682 1.00 0.60 C ATOM 0 H PHE A 35 126.327 -1.668 9.132 1.00 0.40 H new ATOM 0 HA PHE A 35 126.721 0.472 10.954 1.00 0.42 H new ATOM 0 HB2 PHE A 35 126.758 0.620 8.437 1.00 0.41 H new ATOM 0 HB3 PHE A 35 125.025 0.363 8.405 1.00 0.41 H new ATOM 0 HD1 PHE A 35 123.489 2.048 9.514 1.00 0.46 H new ATOM 0 HD2 PHE A 35 127.696 2.761 9.016 1.00 0.56 H new ATOM 0 HE1 PHE A 35 123.126 4.470 9.906 1.00 0.53 H new ATOM 0 HE2 PHE A 35 127.332 5.183 9.408 1.00 0.62 H new ATOM 0 HZ PHE A 35 125.048 6.037 9.853 1.00 0.60 H new ATOM 568 N MET A 36 123.535 -0.308 10.532 1.00 0.36 N ATOM 569 CA MET A 36 122.196 -0.188 11.182 1.00 0.38 C ATOM 570 C MET A 36 122.189 -0.953 12.509 1.00 0.41 C ATOM 571 O MET A 36 121.280 -0.829 13.304 1.00 0.46 O ATOM 572 CB MET A 36 121.135 -0.761 10.241 1.00 0.41 C ATOM 573 CG MET A 36 121.455 -2.227 9.938 1.00 0.52 C ATOM 574 SD MET A 36 120.620 -2.716 8.408 1.00 1.36 S ATOM 575 CE MET A 36 119.112 -3.347 9.173 1.00 0.90 C ATOM 0 H MET A 36 123.540 -0.822 9.651 1.00 0.36 H new ATOM 0 HA MET A 36 121.978 0.861 11.384 1.00 0.38 H new ATOM 0 HB2 MET A 36 120.148 -0.680 10.697 1.00 0.41 H new ATOM 0 HB3 MET A 36 121.106 -0.186 9.316 1.00 0.41 H new ATOM 0 HG2 MET A 36 122.532 -2.363 9.838 1.00 0.52 H new ATOM 0 HG3 MET A 36 121.129 -2.861 10.763 1.00 0.52 H new ATOM 0 HE1 MET A 36 118.498 -3.838 8.417 1.00 0.90 H new ATOM 0 HE2 MET A 36 119.372 -4.065 9.951 1.00 0.90 H new ATOM 0 HE3 MET A 36 118.554 -2.521 9.613 1.00 0.90 H new ATOM 585 N GLN A 37 123.191 -1.752 12.745 1.00 0.42 N ATOM 586 CA GLN A 37 123.246 -2.540 14.013 1.00 0.50 C ATOM 587 C GLN A 37 123.144 -1.595 15.208 1.00 0.54 C ATOM 588 O GLN A 37 122.984 -2.026 16.333 1.00 0.59 O ATOM 589 CB GLN A 37 124.567 -3.307 14.097 1.00 0.60 C ATOM 590 CG GLN A 37 124.481 -4.370 15.193 1.00 0.99 C ATOM 591 CD GLN A 37 125.750 -5.223 15.177 1.00 1.33 C ATOM 592 OE1 GLN A 37 126.552 -5.123 14.269 1.00 1.57 O ATOM 593 NE2 GLN A 37 125.968 -6.066 16.149 1.00 1.95 N ATOM 0 H GLN A 37 123.979 -1.896 12.113 1.00 0.42 H new ATOM 0 HA GLN A 37 122.415 -3.245 14.025 1.00 0.50 H new ATOM 0 HB2 GLN A 37 124.787 -3.777 13.138 1.00 0.60 H new ATOM 0 HB3 GLN A 37 125.385 -2.618 14.309 1.00 0.60 H new ATOM 0 HG2 GLN A 37 124.362 -3.895 16.167 1.00 0.99 H new ATOM 0 HG3 GLN A 37 123.605 -4.999 15.036 1.00 0.99 H new ATOM 0 HE21 GLN A 37 125.296 -6.150 16.911 1.00 1.95 H new ATOM 0 HE22 GLN A 37 126.811 -6.640 16.146 1.00 1.95 H new ATOM 602 N LYS A 38 123.242 -0.311 14.983 1.00 0.56 N ATOM 603 CA LYS A 38 123.157 0.652 16.120 1.00 0.66 C ATOM 604 C LYS A 38 121.970 0.263 17.008 1.00 0.66 C ATOM 605 O LYS A 38 121.899 0.628 18.165 1.00 0.72 O ATOM 606 CB LYS A 38 122.968 2.072 15.576 1.00 0.73 C ATOM 607 CG LYS A 38 123.254 3.090 16.684 1.00 1.20 C ATOM 608 CD LYS A 38 123.198 4.506 16.104 1.00 1.53 C ATOM 609 CE LYS A 38 123.723 5.508 17.137 1.00 2.10 C ATOM 610 NZ LYS A 38 122.753 5.620 18.262 1.00 2.99 N ATOM 0 H LYS A 38 123.377 0.111 14.064 1.00 0.56 H new ATOM 0 HA LYS A 38 124.075 0.622 16.707 1.00 0.66 H new ATOM 0 HB2 LYS A 38 123.637 2.241 14.732 1.00 0.73 H new ATOM 0 HB3 LYS A 38 121.950 2.198 15.206 1.00 0.73 H new ATOM 0 HG2 LYS A 38 122.524 2.985 17.486 1.00 1.20 H new ATOM 0 HG3 LYS A 38 124.235 2.903 17.120 1.00 1.20 H new ATOM 0 HD2 LYS A 38 123.795 4.561 15.194 1.00 1.53 H new ATOM 0 HD3 LYS A 38 122.174 4.756 15.828 1.00 1.53 H new ATOM 0 HE2 LYS A 38 124.694 5.184 17.512 1.00 2.10 H new ATOM 0 HE3 LYS A 38 123.870 6.483 16.671 1.00 2.10 H new ATOM 0 HZ1 LYS A 38 123.059 6.373 18.911 1.00 2.99 H new ATOM 0 HZ2 LYS A 38 121.811 5.849 17.886 1.00 2.99 H new ATOM 0 HZ3 LYS A 38 122.711 4.717 18.775 1.00 2.99 H new ATOM 624 N ARG A 39 121.054 -0.513 16.474 1.00 0.63 N ATOM 625 CA ARG A 39 119.879 -0.980 17.274 1.00 0.67 C ATOM 626 C ARG A 39 120.077 -2.460 17.616 1.00 0.64 C ATOM 627 O ARG A 39 119.626 -2.938 18.638 1.00 0.70 O ATOM 628 CB ARG A 39 118.592 -0.815 16.465 1.00 0.68 C ATOM 629 CG ARG A 39 118.337 0.672 16.209 1.00 0.98 C ATOM 630 CD ARG A 39 116.889 0.870 15.760 1.00 1.39 C ATOM 631 NE ARG A 39 116.643 2.323 15.510 1.00 1.72 N ATOM 632 CZ ARG A 39 115.491 2.861 15.816 1.00 2.27 C ATOM 633 NH1 ARG A 39 115.233 3.194 17.052 1.00 2.81 N ATOM 634 NH2 ARG A 39 114.598 3.064 14.886 1.00 2.91 N ATOM 0 H ARG A 39 121.072 -0.844 15.510 1.00 0.63 H new ATOM 0 HA ARG A 39 119.800 -0.388 18.186 1.00 0.67 H new ATOM 0 HB2 ARG A 39 118.674 -1.349 15.518 1.00 0.68 H new ATOM 0 HB3 ARG A 39 117.752 -1.251 17.005 1.00 0.68 H new ATOM 0 HG2 ARG A 39 118.530 1.246 17.115 1.00 0.98 H new ATOM 0 HG3 ARG A 39 119.020 1.043 15.445 1.00 0.98 H new ATOM 0 HD2 ARG A 39 116.695 0.296 14.854 1.00 1.39 H new ATOM 0 HD3 ARG A 39 116.205 0.500 16.524 1.00 1.39 H new ATOM 0 HE ARG A 39 117.378 2.898 15.098 1.00 1.72 H new ATOM 0 HH11 ARG A 39 115.930 3.035 17.779 1.00 2.81 H new ATOM 0 HH12 ARG A 39 114.334 3.614 17.290 1.00 2.81 H new ATOM 0 HH21 ARG A 39 114.799 2.803 13.921 1.00 2.91 H new ATOM 0 HH22 ARG A 39 113.699 3.484 15.125 1.00 2.91 H new ATOM 648 N GLY A 40 120.767 -3.186 16.770 1.00 0.57 N ATOM 649 CA GLY A 40 121.022 -4.637 17.041 1.00 0.58 C ATOM 650 C GLY A 40 120.024 -5.522 16.284 1.00 0.54 C ATOM 651 O GLY A 40 120.184 -6.726 16.238 1.00 0.55 O ATOM 0 H GLY A 40 121.166 -2.835 15.900 1.00 0.57 H new ATOM 0 HA2 GLY A 40 122.039 -4.893 16.743 1.00 0.58 H new ATOM 0 HA3 GLY A 40 120.945 -4.830 18.111 1.00 0.58 H new ATOM 655 N THR A 41 118.997 -4.949 15.694 1.00 0.51 N ATOM 656 CA THR A 41 117.987 -5.776 14.943 1.00 0.50 C ATOM 657 C THR A 41 118.092 -5.490 13.431 1.00 0.42 C ATOM 658 O THR A 41 118.532 -4.430 13.032 1.00 0.40 O ATOM 659 CB THR A 41 116.571 -5.423 15.448 1.00 0.60 C ATOM 660 OG1 THR A 41 116.560 -4.075 15.896 1.00 0.66 O ATOM 661 CG2 THR A 41 116.180 -6.345 16.609 1.00 0.73 C ATOM 0 H THR A 41 118.813 -3.946 15.699 1.00 0.51 H new ATOM 0 HA THR A 41 118.183 -6.835 15.113 1.00 0.50 H new ATOM 0 HB THR A 41 115.857 -5.553 14.635 1.00 0.60 H new ATOM 0 HG1 THR A 41 115.663 -3.844 16.216 1.00 0.66 H new ATOM 0 HG21 THR A 41 115.180 -6.087 16.957 1.00 0.73 H new ATOM 0 HG22 THR A 41 116.191 -7.381 16.270 1.00 0.73 H new ATOM 0 HG23 THR A 41 116.891 -6.223 17.426 1.00 0.73 H new ATOM 669 N PRO A 42 117.685 -6.426 12.589 1.00 0.42 N ATOM 670 CA PRO A 42 117.749 -6.218 11.113 1.00 0.41 C ATOM 671 C PRO A 42 117.019 -4.938 10.664 1.00 0.40 C ATOM 672 O PRO A 42 116.861 -3.997 11.416 1.00 0.60 O ATOM 673 CB PRO A 42 117.046 -7.481 10.560 1.00 0.49 C ATOM 674 CG PRO A 42 116.588 -8.352 11.746 1.00 0.55 C ATOM 675 CD PRO A 42 117.150 -7.747 13.040 1.00 0.50 C ATOM 0 HA PRO A 42 118.770 -6.087 10.755 1.00 0.41 H new ATOM 0 HB2 PRO A 42 116.191 -7.199 9.946 1.00 0.49 H new ATOM 0 HB3 PRO A 42 117.727 -8.042 9.920 1.00 0.49 H new ATOM 0 HG2 PRO A 42 115.500 -8.392 11.788 1.00 0.55 H new ATOM 0 HG3 PRO A 42 116.940 -9.376 11.622 1.00 0.55 H new ATOM 0 HD2 PRO A 42 116.377 -7.631 13.800 1.00 0.50 H new ATOM 0 HD3 PRO A 42 117.931 -8.373 13.472 1.00 0.50 H new ATOM 683 N ILE A 43 116.574 -4.915 9.436 1.00 0.39 N ATOM 684 CA ILE A 43 115.850 -3.725 8.907 1.00 0.40 C ATOM 685 C ILE A 43 114.473 -3.625 9.583 1.00 0.45 C ATOM 686 O ILE A 43 114.308 -4.013 10.722 1.00 0.49 O ATOM 687 CB ILE A 43 115.727 -3.875 7.372 1.00 0.40 C ATOM 688 CG1 ILE A 43 115.566 -2.483 6.710 1.00 0.41 C ATOM 689 CG2 ILE A 43 114.538 -4.790 6.995 1.00 0.44 C ATOM 690 CD1 ILE A 43 116.944 -1.882 6.411 1.00 0.38 C ATOM 0 H ILE A 43 116.683 -5.680 8.770 1.00 0.39 H new ATOM 0 HA ILE A 43 116.392 -2.805 9.126 1.00 0.40 H new ATOM 0 HB ILE A 43 116.641 -4.340 7.002 1.00 0.40 H new ATOM 0 HG12 ILE A 43 114.992 -2.574 5.788 1.00 0.41 H new ATOM 0 HG13 ILE A 43 115.006 -1.820 7.370 1.00 0.41 H new ATOM 0 HG21 ILE A 43 114.476 -4.877 5.910 1.00 0.44 H new ATOM 0 HG22 ILE A 43 114.687 -5.778 7.431 1.00 0.44 H new ATOM 0 HG23 ILE A 43 113.612 -4.360 7.378 1.00 0.44 H new ATOM 0 HD11 ILE A 43 116.821 -0.904 5.946 1.00 0.38 H new ATOM 0 HD12 ILE A 43 117.503 -1.774 7.340 1.00 0.38 H new ATOM 0 HD13 ILE A 43 117.489 -2.540 5.734 1.00 0.38 H new ATOM 702 N ASN A 44 113.488 -3.104 8.902 1.00 0.49 N ATOM 703 CA ASN A 44 112.136 -2.980 9.521 1.00 0.58 C ATOM 704 C ASN A 44 111.373 -4.301 9.369 1.00 0.59 C ATOM 705 O ASN A 44 110.892 -4.860 10.335 1.00 0.69 O ATOM 706 CB ASN A 44 111.364 -1.861 8.821 1.00 0.65 C ATOM 707 CG ASN A 44 110.084 -1.556 9.600 1.00 1.30 C ATOM 708 OD1 ASN A 44 109.653 -2.346 10.416 1.00 2.13 O ATOM 709 ND2 ASN A 44 109.456 -0.434 9.382 1.00 1.74 N ATOM 0 H ASN A 44 113.561 -2.759 7.945 1.00 0.49 H new ATOM 0 HA ASN A 44 112.241 -2.748 10.581 1.00 0.58 H new ATOM 0 HB2 ASN A 44 111.982 -0.966 8.753 1.00 0.65 H new ATOM 0 HB3 ASN A 44 111.119 -2.157 7.801 1.00 0.65 H new ATOM 0 HD21 ASN A 44 108.602 -0.219 9.897 1.00 1.74 H new ATOM 0 HD22 ASN A 44 109.819 0.229 8.697 1.00 1.74 H new ATOM 716 N ARG A 45 111.268 -4.815 8.170 1.00 0.58 N ATOM 717 CA ARG A 45 110.548 -6.112 7.973 1.00 0.60 C ATOM 718 C ARG A 45 111.113 -6.833 6.748 1.00 0.57 C ATOM 719 O ARG A 45 111.715 -6.230 5.882 1.00 0.66 O ATOM 720 CB ARG A 45 109.047 -5.867 7.771 1.00 0.76 C ATOM 721 CG ARG A 45 108.413 -5.387 9.084 1.00 1.15 C ATOM 722 CD ARG A 45 106.894 -5.574 9.023 1.00 1.14 C ATOM 723 NE ARG A 45 106.320 -4.720 7.945 1.00 1.77 N ATOM 724 CZ ARG A 45 105.041 -4.459 7.936 1.00 2.32 C ATOM 725 NH1 ARG A 45 104.191 -5.369 7.546 1.00 2.67 N ATOM 726 NH2 ARG A 45 104.611 -3.288 8.320 1.00 3.08 N ATOM 0 H ARG A 45 111.648 -4.396 7.321 1.00 0.58 H new ATOM 0 HA ARG A 45 110.690 -6.728 8.861 1.00 0.60 H new ATOM 0 HB2 ARG A 45 108.893 -5.123 6.990 1.00 0.76 H new ATOM 0 HB3 ARG A 45 108.562 -6.784 7.437 1.00 0.76 H new ATOM 0 HG2 ARG A 45 108.825 -5.947 9.924 1.00 1.15 H new ATOM 0 HG3 ARG A 45 108.653 -4.337 9.253 1.00 1.15 H new ATOM 0 HD2 ARG A 45 106.655 -6.621 8.835 1.00 1.14 H new ATOM 0 HD3 ARG A 45 106.448 -5.312 9.982 1.00 1.14 H new ATOM 0 HE ARG A 45 106.925 -4.341 7.216 1.00 1.77 H new ATOM 0 HH11 ARG A 45 104.526 -6.285 7.248 1.00 2.67 H new ATOM 0 HH12 ARG A 45 103.192 -5.164 7.539 1.00 2.67 H new ATOM 0 HH21 ARG A 45 105.274 -2.577 8.627 1.00 3.08 H new ATOM 0 HH22 ARG A 45 103.612 -3.084 8.313 1.00 3.08 H new ATOM 740 N LEU A 46 110.924 -8.128 6.679 1.00 0.54 N ATOM 741 CA LEU A 46 111.445 -8.923 5.523 1.00 0.58 C ATOM 742 C LEU A 46 110.328 -9.824 4.975 1.00 0.59 C ATOM 743 O LEU A 46 110.288 -11.002 5.270 1.00 0.61 O ATOM 744 CB LEU A 46 112.605 -9.802 6.005 1.00 0.64 C ATOM 745 CG LEU A 46 113.671 -8.933 6.687 1.00 0.74 C ATOM 746 CD1 LEU A 46 114.686 -9.834 7.393 1.00 1.23 C ATOM 747 CD2 LEU A 46 114.397 -8.074 5.644 1.00 1.09 C ATOM 0 H LEU A 46 110.426 -8.674 7.382 1.00 0.54 H new ATOM 0 HA LEU A 46 111.787 -8.248 4.739 1.00 0.58 H new ATOM 0 HB2 LEU A 46 112.237 -10.555 6.702 1.00 0.64 H new ATOM 0 HB3 LEU A 46 113.043 -10.335 5.162 1.00 0.64 H new ATOM 0 HG LEU A 46 113.186 -8.281 7.413 1.00 0.74 H new ATOM 0 HD11 LEU A 46 115.444 -9.218 7.878 1.00 1.23 H new ATOM 0 HD12 LEU A 46 114.176 -10.439 8.143 1.00 1.23 H new ATOM 0 HD13 LEU A 46 115.163 -10.487 6.662 1.00 1.23 H new ATOM 0 HD21 LEU A 46 115.151 -7.461 6.138 1.00 1.09 H new ATOM 0 HD22 LEU A 46 114.879 -8.721 4.911 1.00 1.09 H new ATOM 0 HD23 LEU A 46 113.678 -7.428 5.140 1.00 1.09 H new ATOM 759 N PRO A 47 109.424 -9.290 4.182 1.00 0.65 N ATOM 760 CA PRO A 47 108.322 -10.119 3.622 1.00 0.73 C ATOM 761 C PRO A 47 108.860 -11.216 2.692 1.00 0.67 C ATOM 762 O PRO A 47 109.789 -11.002 1.939 1.00 0.70 O ATOM 763 CB PRO A 47 107.463 -9.085 2.862 1.00 0.86 C ATOM 764 CG PRO A 47 108.110 -7.692 3.025 1.00 0.88 C ATOM 765 CD PRO A 47 109.436 -7.851 3.793 1.00 0.75 C ATOM 0 HA PRO A 47 107.758 -10.659 4.383 1.00 0.73 H new ATOM 0 HB2 PRO A 47 107.397 -9.350 1.807 1.00 0.86 H new ATOM 0 HB3 PRO A 47 106.446 -9.078 3.253 1.00 0.86 H new ATOM 0 HG2 PRO A 47 108.290 -7.242 2.049 1.00 0.88 H new ATOM 0 HG3 PRO A 47 107.438 -7.024 3.564 1.00 0.88 H new ATOM 0 HD2 PRO A 47 110.296 -7.608 3.169 1.00 0.75 H new ATOM 0 HD3 PRO A 47 109.479 -7.197 4.664 1.00 0.75 H new ATOM 773 N ILE A 48 108.286 -12.389 2.743 1.00 0.70 N ATOM 774 CA ILE A 48 108.766 -13.495 1.871 1.00 0.72 C ATOM 775 C ILE A 48 107.981 -13.471 0.564 1.00 0.80 C ATOM 776 O ILE A 48 106.772 -13.590 0.545 1.00 0.89 O ATOM 777 CB ILE A 48 108.546 -14.837 2.569 1.00 0.81 C ATOM 778 CG1 ILE A 48 109.041 -14.756 4.019 1.00 0.82 C ATOM 779 CG2 ILE A 48 109.321 -15.930 1.828 1.00 0.87 C ATOM 780 CD1 ILE A 48 110.473 -14.211 4.059 1.00 0.76 C ATOM 0 H ILE A 48 107.504 -12.627 3.353 1.00 0.70 H new ATOM 0 HA ILE A 48 109.830 -13.366 1.670 1.00 0.72 H new ATOM 0 HB ILE A 48 107.482 -15.074 2.564 1.00 0.81 H new ATOM 0 HG12 ILE A 48 108.382 -14.111 4.601 1.00 0.82 H new ATOM 0 HG13 ILE A 48 109.007 -15.744 4.478 1.00 0.82 H new ATOM 0 HG21 ILE A 48 109.165 -16.887 2.325 1.00 0.87 H new ATOM 0 HG22 ILE A 48 108.967 -15.993 0.799 1.00 0.87 H new ATOM 0 HG23 ILE A 48 110.384 -15.689 1.832 1.00 0.87 H new ATOM 0 HD11 ILE A 48 110.813 -14.158 5.093 1.00 0.76 H new ATOM 0 HD12 ILE A 48 111.130 -14.872 3.494 1.00 0.76 H new ATOM 0 HD13 ILE A 48 110.495 -13.214 3.618 1.00 0.76 H new ATOM 841 N SER A 52 110.415 -16.920 -2.647 1.00 0.98 N ATOM 842 CA SER A 52 111.712 -16.179 -2.541 1.00 0.90 C ATOM 843 C SER A 52 111.630 -15.147 -1.415 1.00 0.79 C ATOM 844 O SER A 52 110.599 -14.972 -0.796 1.00 0.83 O ATOM 845 CB SER A 52 111.996 -15.463 -3.862 1.00 0.99 C ATOM 846 OG SER A 52 112.291 -16.426 -4.864 1.00 1.49 O ATOM 0 HA SER A 52 112.513 -16.886 -2.324 1.00 0.90 H new ATOM 0 HB2 SER A 52 111.133 -14.866 -4.158 1.00 0.99 H new ATOM 0 HB3 SER A 52 112.834 -14.776 -3.744 1.00 0.99 H new ATOM 0 HG SER A 52 111.782 -17.245 -4.690 1.00 1.49 H new ATOM 852 N VAL A 53 112.718 -14.465 -1.146 1.00 0.71 N ATOM 853 CA VAL A 53 112.736 -13.434 -0.058 1.00 0.65 C ATOM 854 C VAL A 53 113.043 -12.064 -0.662 1.00 0.59 C ATOM 855 O VAL A 53 113.766 -11.950 -1.632 1.00 0.61 O ATOM 856 CB VAL A 53 113.819 -13.790 0.963 1.00 0.70 C ATOM 857 CG1 VAL A 53 113.623 -12.957 2.233 1.00 1.23 C ATOM 858 CG2 VAL A 53 113.724 -15.277 1.308 1.00 1.44 C ATOM 0 H VAL A 53 113.604 -14.580 -1.639 1.00 0.71 H new ATOM 0 HA VAL A 53 111.764 -13.408 0.434 1.00 0.65 H new ATOM 0 HB VAL A 53 114.800 -13.576 0.539 1.00 0.70 H new ATOM 0 HG11 VAL A 53 114.395 -13.212 2.958 1.00 1.23 H new ATOM 0 HG12 VAL A 53 113.692 -11.897 1.987 1.00 1.23 H new ATOM 0 HG13 VAL A 53 112.642 -13.168 2.658 1.00 1.23 H new ATOM 0 HG21 VAL A 53 114.495 -15.532 2.035 1.00 1.44 H new ATOM 0 HG22 VAL A 53 112.742 -15.491 1.730 1.00 1.44 H new ATOM 0 HG23 VAL A 53 113.867 -15.870 0.405 1.00 1.44 H new ATOM 868 N LEU A 54 112.496 -11.021 -0.101 1.00 0.57 N ATOM 869 CA LEU A 54 112.758 -9.663 -0.651 1.00 0.55 C ATOM 870 C LEU A 54 114.250 -9.356 -0.517 1.00 0.46 C ATOM 871 O LEU A 54 114.716 -8.937 0.524 1.00 0.43 O ATOM 872 CB LEU A 54 111.945 -8.632 0.141 1.00 0.60 C ATOM 873 CG LEU A 54 112.100 -7.234 -0.481 1.00 0.69 C ATOM 874 CD1 LEU A 54 111.413 -7.180 -1.859 1.00 0.88 C ATOM 875 CD2 LEU A 54 111.461 -6.201 0.455 1.00 0.71 C ATOM 0 H LEU A 54 111.881 -11.051 0.712 1.00 0.57 H new ATOM 0 HA LEU A 54 112.467 -9.621 -1.701 1.00 0.55 H new ATOM 0 HB2 LEU A 54 110.893 -8.918 0.150 1.00 0.60 H new ATOM 0 HB3 LEU A 54 112.280 -8.615 1.178 1.00 0.60 H new ATOM 0 HG LEU A 54 113.159 -7.014 -0.613 1.00 0.69 H new ATOM 0 HD11 LEU A 54 111.532 -6.184 -2.286 1.00 0.88 H new ATOM 0 HD12 LEU A 54 111.869 -7.916 -2.522 1.00 0.88 H new ATOM 0 HD13 LEU A 54 110.352 -7.402 -1.745 1.00 0.88 H new ATOM 0 HD21 LEU A 54 111.565 -5.205 0.024 1.00 0.71 H new ATOM 0 HD22 LEU A 54 110.404 -6.432 0.584 1.00 0.71 H new ATOM 0 HD23 LEU A 54 111.959 -6.230 1.424 1.00 0.71 H new ATOM 887 N ASP A 55 115.002 -9.560 -1.563 1.00 0.49 N ATOM 888 CA ASP A 55 116.461 -9.278 -1.492 1.00 0.48 C ATOM 889 C ASP A 55 116.668 -7.769 -1.350 1.00 0.45 C ATOM 890 O ASP A 55 116.576 -7.028 -2.309 1.00 0.44 O ATOM 891 CB ASP A 55 117.137 -9.781 -2.771 1.00 0.59 C ATOM 892 CG ASP A 55 118.657 -9.724 -2.605 1.00 0.66 C ATOM 893 OD1 ASP A 55 119.113 -8.994 -1.741 1.00 1.33 O ATOM 894 OD2 ASP A 55 119.339 -10.416 -3.344 1.00 1.22 O ATOM 0 H ASP A 55 114.669 -9.909 -2.462 1.00 0.49 H new ATOM 0 HA ASP A 55 116.900 -9.787 -0.634 1.00 0.48 H new ATOM 0 HB2 ASP A 55 116.822 -10.803 -2.983 1.00 0.59 H new ATOM 0 HB3 ASP A 55 116.831 -9.171 -3.620 1.00 0.59 H new ATOM 899 N LEU A 56 116.946 -7.307 -0.161 1.00 0.51 N ATOM 900 CA LEU A 56 117.154 -5.845 0.041 1.00 0.53 C ATOM 901 C LEU A 56 118.199 -5.359 -0.960 1.00 0.48 C ATOM 902 O LEU A 56 118.146 -4.248 -1.449 1.00 0.45 O ATOM 903 CB LEU A 56 117.669 -5.587 1.460 1.00 0.65 C ATOM 904 CG LEU A 56 116.823 -6.358 2.475 1.00 0.84 C ATOM 905 CD1 LEU A 56 117.243 -5.959 3.894 1.00 1.50 C ATOM 906 CD2 LEU A 56 115.339 -6.036 2.268 1.00 1.61 C ATOM 0 H LEU A 56 117.038 -7.879 0.679 1.00 0.51 H new ATOM 0 HA LEU A 56 116.212 -5.317 -0.104 1.00 0.53 H new ATOM 0 HB2 LEU A 56 118.712 -5.893 1.538 1.00 0.65 H new ATOM 0 HB3 LEU A 56 117.632 -4.520 1.680 1.00 0.65 H new ATOM 0 HG LEU A 56 116.978 -7.428 2.335 1.00 0.84 H new ATOM 0 HD11 LEU A 56 116.641 -6.507 4.619 1.00 1.50 H new ATOM 0 HD12 LEU A 56 118.296 -6.197 4.042 1.00 1.50 H new ATOM 0 HD13 LEU A 56 117.090 -4.889 4.031 1.00 1.50 H new ATOM 0 HD21 LEU A 56 114.742 -6.588 2.994 1.00 1.61 H new ATOM 0 HD22 LEU A 56 115.176 -4.967 2.403 1.00 1.61 H new ATOM 0 HD23 LEU A 56 115.041 -6.324 1.260 1.00 1.61 H new ATOM 918 N TYR A 57 119.152 -6.192 -1.260 1.00 0.50 N ATOM 919 CA TYR A 57 120.219 -5.806 -2.218 1.00 0.47 C ATOM 920 C TYR A 57 119.580 -5.217 -3.482 1.00 0.42 C ATOM 921 O TYR A 57 120.074 -4.265 -4.053 1.00 0.40 O ATOM 922 CB TYR A 57 121.031 -7.062 -2.582 1.00 0.50 C ATOM 923 CG TYR A 57 122.416 -6.672 -3.058 1.00 0.48 C ATOM 924 CD1 TYR A 57 122.574 -5.988 -4.269 1.00 0.51 C ATOM 925 CD2 TYR A 57 123.541 -6.995 -2.285 1.00 0.51 C ATOM 926 CE1 TYR A 57 123.852 -5.625 -4.707 1.00 0.54 C ATOM 927 CE2 TYR A 57 124.820 -6.633 -2.723 1.00 0.52 C ATOM 928 CZ TYR A 57 124.976 -5.947 -3.934 1.00 0.52 C ATOM 929 OH TYR A 57 126.236 -5.590 -4.367 1.00 0.57 O ATOM 0 H TYR A 57 119.238 -7.134 -0.878 1.00 0.50 H new ATOM 0 HA TYR A 57 120.875 -5.059 -1.770 1.00 0.47 H new ATOM 0 HB2 TYR A 57 121.108 -7.718 -1.715 1.00 0.50 H new ATOM 0 HB3 TYR A 57 120.516 -7.624 -3.361 1.00 0.50 H new ATOM 0 HD1 TYR A 57 121.709 -5.740 -4.866 1.00 0.51 H new ATOM 0 HD2 TYR A 57 123.420 -7.524 -1.351 1.00 0.51 H new ATOM 0 HE1 TYR A 57 123.973 -5.096 -5.641 1.00 0.54 H new ATOM 0 HE2 TYR A 57 125.686 -6.882 -2.128 1.00 0.52 H new ATOM 0 HH TYR A 57 126.903 -5.887 -3.713 1.00 0.57 H new ATOM 939 N GLU A 58 118.497 -5.789 -3.934 1.00 0.43 N ATOM 940 CA GLU A 58 117.844 -5.278 -5.172 1.00 0.41 C ATOM 941 C GLU A 58 117.284 -3.870 -4.933 1.00 0.38 C ATOM 942 O GLU A 58 117.374 -3.007 -5.781 1.00 0.38 O ATOM 943 CB GLU A 58 116.706 -6.214 -5.576 1.00 0.45 C ATOM 944 CG GLU A 58 116.251 -5.875 -6.996 1.00 1.11 C ATOM 945 CD GLU A 58 115.111 -6.809 -7.405 1.00 1.50 C ATOM 946 OE1 GLU A 58 114.075 -6.762 -6.763 1.00 2.02 O ATOM 947 OE2 GLU A 58 115.293 -7.554 -8.354 1.00 2.16 O ATOM 0 H GLU A 58 118.036 -6.588 -3.499 1.00 0.43 H new ATOM 0 HA GLU A 58 118.586 -5.236 -5.970 1.00 0.41 H new ATOM 0 HB2 GLU A 58 117.038 -7.251 -5.526 1.00 0.45 H new ATOM 0 HB3 GLU A 58 115.872 -6.112 -4.881 1.00 0.45 H new ATOM 0 HG2 GLU A 58 115.920 -4.838 -7.045 1.00 1.11 H new ATOM 0 HG3 GLU A 58 117.085 -5.977 -7.690 1.00 1.11 H new ATOM 954 N LEU A 59 116.708 -3.620 -3.789 1.00 0.37 N ATOM 955 CA LEU A 59 116.160 -2.258 -3.533 1.00 0.36 C ATOM 956 C LEU A 59 117.285 -1.248 -3.759 1.00 0.33 C ATOM 957 O LEU A 59 117.067 -0.148 -4.227 1.00 0.34 O ATOM 958 CB LEU A 59 115.654 -2.159 -2.083 1.00 0.37 C ATOM 959 CG LEU A 59 114.935 -0.811 -1.849 1.00 0.37 C ATOM 960 CD1 LEU A 59 113.489 -0.880 -2.365 1.00 0.46 C ATOM 961 CD2 LEU A 59 114.917 -0.489 -0.346 1.00 0.42 C ATOM 0 H LEU A 59 116.594 -4.291 -3.029 1.00 0.37 H new ATOM 0 HA LEU A 59 115.325 -2.055 -4.204 1.00 0.36 H new ATOM 0 HB2 LEU A 59 114.972 -2.983 -1.873 1.00 0.37 H new ATOM 0 HB3 LEU A 59 116.492 -2.255 -1.392 1.00 0.37 H new ATOM 0 HG LEU A 59 115.472 -0.031 -2.389 1.00 0.37 H new ATOM 0 HD11 LEU A 59 112.995 0.077 -2.193 1.00 0.46 H new ATOM 0 HD12 LEU A 59 113.494 -1.099 -3.433 1.00 0.46 H new ATOM 0 HD13 LEU A 59 112.951 -1.666 -1.835 1.00 0.46 H new ATOM 0 HD21 LEU A 59 114.410 0.462 -0.184 1.00 0.42 H new ATOM 0 HD22 LEU A 59 114.389 -1.278 0.189 1.00 0.42 H new ATOM 0 HD23 LEU A 59 115.940 -0.422 0.024 1.00 0.42 H new ATOM 973 N TYR A 60 118.490 -1.618 -3.420 1.00 0.32 N ATOM 974 CA TYR A 60 119.640 -0.691 -3.604 1.00 0.30 C ATOM 975 C TYR A 60 120.086 -0.666 -5.073 1.00 0.32 C ATOM 976 O TYR A 60 120.114 0.377 -5.697 1.00 0.32 O ATOM 977 CB TYR A 60 120.808 -1.143 -2.719 1.00 0.32 C ATOM 978 CG TYR A 60 121.785 -0.001 -2.586 1.00 0.31 C ATOM 979 CD1 TYR A 60 121.384 1.176 -1.947 1.00 0.28 C ATOM 980 CD2 TYR A 60 123.074 -0.101 -3.126 1.00 0.36 C ATOM 981 CE1 TYR A 60 122.262 2.250 -1.848 1.00 0.28 C ATOM 982 CE2 TYR A 60 123.959 0.977 -3.017 1.00 0.38 C ATOM 983 CZ TYR A 60 123.549 2.154 -2.380 1.00 0.33 C ATOM 984 OH TYR A 60 124.405 3.226 -2.289 1.00 0.37 O ATOM 0 H TYR A 60 118.727 -2.527 -3.022 1.00 0.32 H new ATOM 0 HA TYR A 60 119.328 0.314 -3.319 1.00 0.30 H new ATOM 0 HB2 TYR A 60 120.443 -1.444 -1.737 1.00 0.32 H new ATOM 0 HB3 TYR A 60 121.300 -2.012 -3.157 1.00 0.32 H new ATOM 0 HD1 TYR A 60 120.391 1.251 -1.530 1.00 0.28 H new ATOM 0 HD2 TYR A 60 123.383 -1.008 -3.625 1.00 0.36 H new ATOM 0 HE1 TYR A 60 121.948 3.160 -1.359 1.00 0.28 H new ATOM 0 HE2 TYR A 60 124.957 0.901 -3.424 1.00 0.38 H new ATOM 0 HH TYR A 60 125.262 2.997 -2.707 1.00 0.37 H new ATOM 994 N ASN A 61 120.455 -1.791 -5.631 1.00 0.35 N ATOM 995 CA ASN A 61 120.919 -1.794 -7.051 1.00 0.38 C ATOM 996 C ASN A 61 119.921 -1.014 -7.922 1.00 0.38 C ATOM 997 O ASN A 61 120.305 -0.273 -8.806 1.00 0.41 O ATOM 998 CB ASN A 61 121.065 -3.254 -7.547 1.00 0.44 C ATOM 999 CG ASN A 61 119.758 -3.766 -8.168 1.00 1.31 C ATOM 1000 OD1 ASN A 61 118.699 -3.587 -7.610 1.00 2.25 O ATOM 1001 ND2 ASN A 61 119.793 -4.395 -9.310 1.00 1.97 N ATOM 0 H ASN A 61 120.455 -2.700 -5.169 1.00 0.35 H new ATOM 0 HA ASN A 61 121.892 -1.307 -7.123 1.00 0.38 H new ATOM 0 HB2 ASN A 61 121.867 -3.312 -8.283 1.00 0.44 H new ATOM 0 HB3 ASN A 61 121.350 -3.896 -6.714 1.00 0.44 H new ATOM 0 HD21 ASN A 61 118.929 -4.735 -9.732 1.00 1.97 H new ATOM 0 HD22 ASN A 61 120.685 -4.547 -9.782 1.00 1.97 H new ATOM 1008 N LEU A 62 118.647 -1.171 -7.680 1.00 0.37 N ATOM 1009 CA LEU A 62 117.642 -0.432 -8.496 1.00 0.39 C ATOM 1010 C LEU A 62 117.767 1.070 -8.229 1.00 0.38 C ATOM 1011 O LEU A 62 117.903 1.857 -9.136 1.00 0.42 O ATOM 1012 CB LEU A 62 116.226 -0.893 -8.114 1.00 0.40 C ATOM 1013 CG LEU A 62 115.892 -2.235 -8.789 1.00 0.43 C ATOM 1014 CD1 LEU A 62 114.614 -2.803 -8.161 1.00 0.47 C ATOM 1015 CD2 LEU A 62 115.677 -2.042 -10.308 1.00 0.53 C ATOM 0 H LEU A 62 118.261 -1.776 -6.956 1.00 0.37 H new ATOM 0 HA LEU A 62 117.822 -0.634 -9.552 1.00 0.39 H new ATOM 0 HB2 LEU A 62 116.151 -0.996 -7.031 1.00 0.40 H new ATOM 0 HB3 LEU A 62 115.499 -0.138 -8.414 1.00 0.40 H new ATOM 0 HG LEU A 62 116.723 -2.924 -8.641 1.00 0.43 H new ATOM 0 HD11 LEU A 62 114.369 -3.754 -8.633 1.00 0.47 H new ATOM 0 HD12 LEU A 62 114.771 -2.957 -7.093 1.00 0.47 H new ATOM 0 HD13 LEU A 62 113.793 -2.102 -8.310 1.00 0.47 H new ATOM 0 HD21 LEU A 62 115.442 -3.002 -10.767 1.00 0.53 H new ATOM 0 HD22 LEU A 62 114.852 -1.349 -10.474 1.00 0.53 H new ATOM 0 HD23 LEU A 62 116.585 -1.638 -10.756 1.00 0.53 H new ATOM 1027 N VAL A 63 117.715 1.471 -6.991 1.00 0.35 N ATOM 1028 CA VAL A 63 117.812 2.924 -6.669 1.00 0.36 C ATOM 1029 C VAL A 63 119.044 3.535 -7.347 1.00 0.37 C ATOM 1030 O VAL A 63 118.934 4.458 -8.130 1.00 0.41 O ATOM 1031 CB VAL A 63 117.905 3.082 -5.142 1.00 0.36 C ATOM 1032 CG1 VAL A 63 118.408 4.486 -4.776 1.00 0.37 C ATOM 1033 CG2 VAL A 63 116.516 2.861 -4.526 1.00 0.41 C ATOM 0 H VAL A 63 117.609 0.855 -6.185 1.00 0.35 H new ATOM 0 HA VAL A 63 116.930 3.446 -7.039 1.00 0.36 H new ATOM 0 HB VAL A 63 118.608 2.346 -4.752 1.00 0.36 H new ATOM 0 HG11 VAL A 63 118.468 4.580 -3.692 1.00 0.37 H new ATOM 0 HG12 VAL A 63 119.396 4.643 -5.209 1.00 0.37 H new ATOM 0 HG13 VAL A 63 117.718 5.233 -5.168 1.00 0.37 H new ATOM 0 HG21 VAL A 63 116.576 2.972 -3.443 1.00 0.41 H new ATOM 0 HG22 VAL A 63 115.819 3.596 -4.928 1.00 0.41 H new ATOM 0 HG23 VAL A 63 116.166 1.858 -4.769 1.00 0.41 H new ATOM 1043 N ILE A 64 120.211 3.045 -7.046 1.00 0.36 N ATOM 1044 CA ILE A 64 121.437 3.618 -7.667 1.00 0.39 C ATOM 1045 C ILE A 64 121.354 3.475 -9.189 1.00 0.41 C ATOM 1046 O ILE A 64 121.734 4.363 -9.926 1.00 0.46 O ATOM 1047 CB ILE A 64 122.662 2.853 -7.156 1.00 0.41 C ATOM 1048 CG1 ILE A 64 122.715 2.889 -5.614 1.00 0.48 C ATOM 1049 CG2 ILE A 64 123.937 3.468 -7.741 1.00 0.45 C ATOM 1050 CD1 ILE A 64 123.304 4.212 -5.098 1.00 0.86 C ATOM 0 H ILE A 64 120.371 2.274 -6.398 1.00 0.36 H new ATOM 0 HA ILE A 64 121.521 4.673 -7.404 1.00 0.39 H new ATOM 0 HB ILE A 64 122.586 1.813 -7.475 1.00 0.41 H new ATOM 0 HG12 ILE A 64 121.711 2.756 -5.212 1.00 0.48 H new ATOM 0 HG13 ILE A 64 123.317 2.056 -5.251 1.00 0.48 H new ATOM 0 HG21 ILE A 64 124.806 2.921 -7.375 1.00 0.45 H new ATOM 0 HG22 ILE A 64 123.903 3.409 -8.829 1.00 0.45 H new ATOM 0 HG23 ILE A 64 124.011 4.512 -7.436 1.00 0.45 H new ATOM 0 HD11 ILE A 64 123.325 4.200 -4.008 1.00 0.86 H new ATOM 0 HD12 ILE A 64 124.318 4.332 -5.479 1.00 0.86 H new ATOM 0 HD13 ILE A 64 122.687 5.043 -5.440 1.00 0.86 H new ATOM 1062 N ALA A 65 120.865 2.364 -9.665 1.00 0.41 N ATOM 1063 CA ALA A 65 120.763 2.166 -11.138 1.00 0.48 C ATOM 1064 C ALA A 65 119.952 3.309 -11.759 1.00 0.49 C ATOM 1065 O ALA A 65 119.934 3.485 -12.961 1.00 0.56 O ATOM 1066 CB ALA A 65 120.075 0.831 -11.427 1.00 0.52 C ATOM 0 H ALA A 65 120.532 1.585 -9.098 1.00 0.41 H new ATOM 0 HA ALA A 65 121.763 2.160 -11.572 1.00 0.48 H new ATOM 0 HB1 ALA A 65 120.000 0.686 -12.505 1.00 0.52 H new ATOM 0 HB2 ALA A 65 120.658 0.019 -10.991 1.00 0.52 H new ATOM 0 HB3 ALA A 65 119.076 0.835 -10.991 1.00 0.52 H new ATOM 1072 N ARG A 66 119.277 4.086 -10.950 1.00 0.47 N ATOM 1073 CA ARG A 66 118.462 5.219 -11.493 1.00 0.53 C ATOM 1074 C ARG A 66 119.266 6.518 -11.403 1.00 0.55 C ATOM 1075 O ARG A 66 119.199 7.360 -12.276 1.00 0.91 O ATOM 1076 CB ARG A 66 117.181 5.365 -10.663 1.00 0.57 C ATOM 1077 CG ARG A 66 116.345 4.080 -10.743 1.00 0.67 C ATOM 1078 CD ARG A 66 115.547 4.032 -12.048 1.00 0.88 C ATOM 1079 NE ARG A 66 114.620 2.867 -12.001 1.00 1.18 N ATOM 1080 CZ ARG A 66 115.071 1.664 -12.232 1.00 1.71 C ATOM 1081 NH1 ARG A 66 116.322 1.487 -12.559 1.00 2.41 N ATOM 1082 NH2 ARG A 66 114.271 0.637 -12.134 1.00 2.32 N ATOM 0 H ARG A 66 119.254 3.986 -9.935 1.00 0.47 H new ATOM 0 HA ARG A 66 118.209 5.016 -12.534 1.00 0.53 H new ATOM 0 HB2 ARG A 66 117.435 5.578 -9.625 1.00 0.57 H new ATOM 0 HB3 ARG A 66 116.597 6.210 -11.028 1.00 0.57 H new ATOM 0 HG2 ARG A 66 116.999 3.210 -10.679 1.00 0.67 H new ATOM 0 HG3 ARG A 66 115.664 4.030 -9.893 1.00 0.67 H new ATOM 0 HD2 ARG A 66 114.985 4.956 -12.181 1.00 0.88 H new ATOM 0 HD3 ARG A 66 116.221 3.944 -12.900 1.00 0.88 H new ATOM 0 HE ARG A 66 113.633 3.009 -11.788 1.00 1.18 H new ATOM 0 HH11 ARG A 66 116.948 2.289 -12.634 1.00 2.41 H new ATOM 0 HH12 ARG A 66 116.674 0.547 -12.739 1.00 2.41 H new ATOM 0 HH21 ARG A 66 113.294 0.775 -11.877 1.00 2.32 H new ATOM 0 HH22 ARG A 66 114.623 -0.303 -12.315 1.00 2.32 H new ATOM 1096 N GLY A 67 120.027 6.691 -10.354 1.00 0.34 N ATOM 1097 CA GLY A 67 120.835 7.939 -10.210 1.00 0.36 C ATOM 1098 C GLY A 67 121.002 8.277 -8.727 1.00 0.33 C ATOM 1099 O GLY A 67 121.806 9.112 -8.361 1.00 0.41 O ATOM 0 H GLY A 67 120.124 6.022 -9.590 1.00 0.34 H new ATOM 0 HA2 GLY A 67 121.812 7.807 -10.675 1.00 0.36 H new ATOM 0 HA3 GLY A 67 120.344 8.763 -10.728 1.00 0.36 H new ATOM 1103 N GLY A 68 120.252 7.630 -7.869 1.00 0.31 N ATOM 1104 CA GLY A 68 120.362 7.904 -6.401 1.00 0.30 C ATOM 1105 C GLY A 68 118.966 7.993 -5.789 1.00 0.29 C ATOM 1106 O GLY A 68 118.002 8.292 -6.463 1.00 0.32 O ATOM 0 H GLY A 68 119.565 6.920 -8.123 1.00 0.31 H new ATOM 0 HA2 GLY A 68 120.933 7.113 -5.915 1.00 0.30 H new ATOM 0 HA3 GLY A 68 120.903 8.836 -6.234 1.00 0.30 H new ATOM 1110 N LEU A 69 118.847 7.739 -4.514 1.00 0.26 N ATOM 1111 CA LEU A 69 117.507 7.813 -3.869 1.00 0.27 C ATOM 1112 C LEU A 69 116.911 9.202 -4.102 1.00 0.28 C ATOM 1113 O LEU A 69 115.776 9.340 -4.513 1.00 0.30 O ATOM 1114 CB LEU A 69 117.646 7.557 -2.364 1.00 0.26 C ATOM 1115 CG LEU A 69 116.309 7.822 -1.650 1.00 0.40 C ATOM 1116 CD1 LEU A 69 115.172 7.067 -2.355 1.00 0.76 C ATOM 1117 CD2 LEU A 69 116.410 7.337 -0.199 1.00 0.30 C ATOM 0 H LEU A 69 119.616 7.485 -3.894 1.00 0.26 H new ATOM 0 HA LEU A 69 116.851 7.058 -4.302 1.00 0.27 H new ATOM 0 HB2 LEU A 69 117.960 6.528 -2.191 1.00 0.26 H new ATOM 0 HB3 LEU A 69 118.421 8.201 -1.949 1.00 0.26 H new ATOM 0 HG LEU A 69 116.097 8.891 -1.676 1.00 0.40 H new ATOM 0 HD11 LEU A 69 114.231 7.263 -1.840 1.00 0.76 H new ATOM 0 HD12 LEU A 69 115.097 7.405 -3.389 1.00 0.76 H new ATOM 0 HD13 LEU A 69 115.380 5.997 -2.337 1.00 0.76 H new ATOM 0 HD21 LEU A 69 115.466 7.522 0.313 1.00 0.30 H new ATOM 0 HD22 LEU A 69 116.626 6.269 -0.187 1.00 0.30 H new ATOM 0 HD23 LEU A 69 117.210 7.875 0.310 1.00 0.30 H new ATOM 1129 N VAL A 70 117.664 10.235 -3.849 1.00 0.30 N ATOM 1130 CA VAL A 70 117.125 11.604 -4.061 1.00 0.34 C ATOM 1131 C VAL A 70 116.738 11.761 -5.529 1.00 0.35 C ATOM 1132 O VAL A 70 115.740 12.371 -5.856 1.00 0.37 O ATOM 1133 CB VAL A 70 118.189 12.643 -3.701 1.00 0.41 C ATOM 1134 CG1 VAL A 70 117.539 14.027 -3.648 1.00 0.54 C ATOM 1135 CG2 VAL A 70 118.804 12.306 -2.333 1.00 0.42 C ATOM 0 H VAL A 70 118.624 10.190 -3.507 1.00 0.30 H new ATOM 0 HA VAL A 70 116.251 11.755 -3.427 1.00 0.34 H new ATOM 0 HB VAL A 70 118.976 12.636 -4.455 1.00 0.41 H new ATOM 0 HG11 VAL A 70 118.291 14.773 -3.392 1.00 0.54 H new ATOM 0 HG12 VAL A 70 117.109 14.265 -4.621 1.00 0.54 H new ATOM 0 HG13 VAL A 70 116.753 14.031 -2.893 1.00 0.54 H new ATOM 0 HG21 VAL A 70 119.561 13.049 -2.081 1.00 0.42 H new ATOM 0 HG22 VAL A 70 118.024 12.311 -1.572 1.00 0.42 H new ATOM 0 HG23 VAL A 70 119.264 11.319 -2.374 1.00 0.42 H new ATOM 1145 N ASP A 71 117.513 11.206 -6.416 1.00 0.36 N ATOM 1146 CA ASP A 71 117.178 11.315 -7.859 1.00 0.40 C ATOM 1147 C ASP A 71 115.849 10.597 -8.112 1.00 0.40 C ATOM 1148 O ASP A 71 115.079 10.976 -8.971 1.00 0.46 O ATOM 1149 CB ASP A 71 118.294 10.676 -8.690 1.00 0.44 C ATOM 1150 CG ASP A 71 119.546 11.552 -8.606 1.00 1.16 C ATOM 1151 OD1 ASP A 71 119.491 12.677 -9.076 1.00 1.84 O ATOM 1152 OD2 ASP A 71 120.539 11.084 -8.075 1.00 1.90 O ATOM 0 H ASP A 71 118.362 10.683 -6.204 1.00 0.36 H new ATOM 0 HA ASP A 71 117.083 12.362 -8.147 1.00 0.40 H new ATOM 0 HB2 ASP A 71 118.511 9.674 -8.321 1.00 0.44 H new ATOM 0 HB3 ASP A 71 117.977 10.572 -9.728 1.00 0.44 H new ATOM 1157 N VAL A 72 115.580 9.557 -7.370 1.00 0.36 N ATOM 1158 CA VAL A 72 114.302 8.810 -7.558 1.00 0.38 C ATOM 1159 C VAL A 72 113.125 9.620 -6.987 1.00 0.39 C ATOM 1160 O VAL A 72 112.055 9.661 -7.561 1.00 0.46 O ATOM 1161 CB VAL A 72 114.399 7.460 -6.836 1.00 0.38 C ATOM 1162 CG1 VAL A 72 113.033 6.767 -6.836 1.00 0.42 C ATOM 1163 CG2 VAL A 72 115.417 6.574 -7.558 1.00 0.41 C ATOM 0 H VAL A 72 116.191 9.191 -6.640 1.00 0.36 H new ATOM 0 HA VAL A 72 114.132 8.648 -8.622 1.00 0.38 H new ATOM 0 HB VAL A 72 114.716 7.625 -5.806 1.00 0.38 H new ATOM 0 HG11 VAL A 72 113.111 5.809 -6.321 1.00 0.42 H new ATOM 0 HG12 VAL A 72 112.306 7.396 -6.323 1.00 0.42 H new ATOM 0 HG13 VAL A 72 112.709 6.602 -7.863 1.00 0.42 H new ATOM 0 HG21 VAL A 72 115.489 5.613 -7.048 1.00 0.41 H new ATOM 0 HG22 VAL A 72 115.096 6.415 -8.587 1.00 0.41 H new ATOM 0 HG23 VAL A 72 116.392 7.062 -7.553 1.00 0.41 H new ATOM 1173 N ILE A 73 113.306 10.241 -5.849 1.00 0.34 N ATOM 1174 CA ILE A 73 112.187 11.019 -5.232 1.00 0.38 C ATOM 1175 C ILE A 73 111.894 12.281 -6.053 1.00 0.42 C ATOM 1176 O ILE A 73 110.769 12.533 -6.437 1.00 0.48 O ATOM 1177 CB ILE A 73 112.579 11.429 -3.811 1.00 0.38 C ATOM 1178 CG1 ILE A 73 112.886 10.176 -2.988 1.00 0.36 C ATOM 1179 CG2 ILE A 73 111.415 12.181 -3.159 1.00 0.45 C ATOM 1180 CD1 ILE A 73 113.515 10.581 -1.652 1.00 0.39 C ATOM 0 H ILE A 73 114.178 10.244 -5.321 1.00 0.34 H new ATOM 0 HA ILE A 73 111.295 10.393 -5.211 1.00 0.38 H new ATOM 0 HB ILE A 73 113.459 12.072 -3.849 1.00 0.38 H new ATOM 0 HG12 ILE A 73 111.971 9.610 -2.814 1.00 0.36 H new ATOM 0 HG13 ILE A 73 113.565 9.524 -3.538 1.00 0.36 H new ATOM 0 HG21 ILE A 73 111.693 12.474 -2.146 1.00 0.45 H new ATOM 0 HG22 ILE A 73 111.184 13.071 -3.744 1.00 0.45 H new ATOM 0 HG23 ILE A 73 110.539 11.534 -3.122 1.00 0.45 H new ATOM 0 HD11 ILE A 73 113.733 9.688 -1.067 1.00 0.39 H new ATOM 0 HD12 ILE A 73 114.439 11.129 -1.836 1.00 0.39 H new ATOM 0 HD13 ILE A 73 112.821 11.215 -1.101 1.00 0.39 H new ATOM 1192 N ASN A 74 112.894 13.079 -6.321 1.00 0.41 N ATOM 1193 CA ASN A 74 112.663 14.325 -7.111 1.00 0.48 C ATOM 1194 C ASN A 74 112.104 13.964 -8.483 1.00 0.51 C ATOM 1195 O ASN A 74 111.214 14.615 -8.994 1.00 0.57 O ATOM 1196 CB ASN A 74 113.987 15.074 -7.285 1.00 0.48 C ATOM 1197 CG ASN A 74 113.778 16.280 -8.203 1.00 1.21 C ATOM 1198 OD1 ASN A 74 112.663 16.593 -8.569 1.00 1.90 O ATOM 1199 ND2 ASN A 74 114.812 16.969 -8.598 1.00 1.52 N ATOM 0 H ASN A 74 113.858 12.923 -6.028 1.00 0.41 H new ATOM 0 HA ASN A 74 111.951 14.959 -6.583 1.00 0.48 H new ATOM 0 HB2 ASN A 74 114.360 15.403 -6.315 1.00 0.48 H new ATOM 0 HB3 ASN A 74 114.740 14.409 -7.708 1.00 0.48 H new ATOM 0 HD21 ASN A 74 114.685 17.771 -9.215 1.00 1.52 H new ATOM 0 HD22 ASN A 74 115.748 16.706 -8.290 1.00 1.52 H new ATOM 1206 N LYS A 75 112.615 12.930 -9.081 1.00 0.50 N ATOM 1207 CA LYS A 75 112.112 12.521 -10.417 1.00 0.56 C ATOM 1208 C LYS A 75 110.812 11.741 -10.221 1.00 0.55 C ATOM 1209 O LYS A 75 110.121 11.410 -11.164 1.00 0.63 O ATOM 1210 CB LYS A 75 113.159 11.637 -11.105 1.00 0.58 C ATOM 1211 CG LYS A 75 114.493 12.392 -11.226 1.00 0.67 C ATOM 1212 CD LYS A 75 114.448 13.375 -12.402 1.00 1.08 C ATOM 1213 CE LYS A 75 115.822 14.026 -12.571 1.00 1.34 C ATOM 1214 NZ LYS A 75 115.880 14.732 -13.882 1.00 1.93 N ATOM 0 H LYS A 75 113.362 12.348 -8.701 1.00 0.50 H new ATOM 0 HA LYS A 75 111.928 13.395 -11.041 1.00 0.56 H new ATOM 0 HB2 LYS A 75 113.302 10.719 -10.535 1.00 0.58 H new ATOM 0 HB3 LYS A 75 112.806 11.346 -12.094 1.00 0.58 H new ATOM 0 HG2 LYS A 75 114.698 12.931 -10.301 1.00 0.67 H new ATOM 0 HG3 LYS A 75 115.308 11.682 -11.368 1.00 0.67 H new ATOM 0 HD2 LYS A 75 114.165 12.853 -13.316 1.00 1.08 H new ATOM 0 HD3 LYS A 75 113.691 14.138 -12.224 1.00 1.08 H new ATOM 0 HE2 LYS A 75 116.005 14.729 -11.759 1.00 1.34 H new ATOM 0 HE3 LYS A 75 116.604 13.268 -12.519 1.00 1.34 H new ATOM 0 HZ1 LYS A 75 116.814 15.175 -13.997 1.00 1.93 H new ATOM 0 HZ2 LYS A 75 115.723 14.050 -14.651 1.00 1.93 H new ATOM 0 HZ3 LYS A 75 115.143 15.465 -13.914 1.00 1.93 H new ATOM 1228 N LYS A 76 110.478 11.446 -8.993 1.00 0.49 N ATOM 1229 CA LYS A 76 109.225 10.689 -8.716 1.00 0.52 C ATOM 1230 C LYS A 76 109.204 9.429 -9.579 1.00 0.52 C ATOM 1231 O LYS A 76 108.219 9.113 -10.217 1.00 0.59 O ATOM 1232 CB LYS A 76 108.009 11.566 -9.037 1.00 0.62 C ATOM 1233 CG LYS A 76 106.769 10.995 -8.341 1.00 1.20 C ATOM 1234 CD LYS A 76 105.553 11.866 -8.659 1.00 1.26 C ATOM 1235 CE LYS A 76 104.379 11.440 -7.775 1.00 2.03 C ATOM 1236 NZ LYS A 76 103.120 12.046 -8.293 1.00 2.83 N ATOM 0 H LYS A 76 111.022 11.698 -8.168 1.00 0.49 H new ATOM 0 HA LYS A 76 109.188 10.409 -7.663 1.00 0.52 H new ATOM 0 HB2 LYS A 76 108.187 12.589 -8.705 1.00 0.62 H new ATOM 0 HB3 LYS A 76 107.849 11.604 -10.115 1.00 0.62 H new ATOM 0 HG2 LYS A 76 106.592 9.972 -8.673 1.00 1.20 H new ATOM 0 HG3 LYS A 76 106.930 10.957 -7.264 1.00 1.20 H new ATOM 0 HD2 LYS A 76 105.789 12.916 -8.488 1.00 1.26 H new ATOM 0 HD3 LYS A 76 105.286 11.767 -9.711 1.00 1.26 H new ATOM 0 HE2 LYS A 76 104.294 10.353 -7.764 1.00 2.03 H new ATOM 0 HE3 LYS A 76 104.551 11.757 -6.746 1.00 2.03 H new ATOM 0 HZ1 LYS A 76 102.322 11.756 -7.692 1.00 2.83 H new ATOM 0 HZ2 LYS A 76 103.203 13.083 -8.282 1.00 2.83 H new ATOM 0 HZ3 LYS A 76 102.954 11.723 -9.267 1.00 2.83 H new ATOM 1250 N LEU A 77 110.294 8.710 -9.608 1.00 0.47 N ATOM 1251 CA LEU A 77 110.363 7.468 -10.431 1.00 0.50 C ATOM 1252 C LEU A 77 109.960 6.267 -9.578 1.00 0.48 C ATOM 1253 O LEU A 77 110.152 5.131 -9.964 1.00 0.52 O ATOM 1254 CB LEU A 77 111.796 7.277 -10.937 1.00 0.48 C ATOM 1255 CG LEU A 77 112.141 8.368 -11.963 1.00 0.55 C ATOM 1256 CD1 LEU A 77 113.660 8.421 -12.153 1.00 0.60 C ATOM 1257 CD2 LEU A 77 111.476 8.066 -13.319 1.00 0.89 C ATOM 0 H LEU A 77 111.146 8.932 -9.093 1.00 0.47 H new ATOM 0 HA LEU A 77 109.683 7.553 -11.279 1.00 0.50 H new ATOM 0 HB2 LEU A 77 112.494 7.319 -10.101 1.00 0.48 H new ATOM 0 HB3 LEU A 77 111.902 6.292 -11.392 1.00 0.48 H new ATOM 0 HG LEU A 77 111.773 9.325 -11.593 1.00 0.55 H new ATOM 0 HD11 LEU A 77 113.909 9.194 -12.880 1.00 0.60 H new ATOM 0 HD12 LEU A 77 114.138 8.651 -11.201 1.00 0.60 H new ATOM 0 HD13 LEU A 77 114.016 7.456 -12.513 1.00 0.60 H new ATOM 0 HD21 LEU A 77 111.732 8.849 -14.032 1.00 0.89 H new ATOM 0 HD22 LEU A 77 111.831 7.105 -13.692 1.00 0.89 H new ATOM 0 HD23 LEU A 77 110.394 8.029 -13.193 1.00 0.89 H new ATOM 1269 N TRP A 78 109.396 6.501 -8.424 1.00 0.46 N ATOM 1270 CA TRP A 78 108.980 5.360 -7.562 1.00 0.47 C ATOM 1271 C TRP A 78 108.152 4.386 -8.401 1.00 0.54 C ATOM 1272 O TRP A 78 108.038 3.218 -8.086 1.00 0.54 O ATOM 1273 CB TRP A 78 108.128 5.876 -6.395 1.00 0.48 C ATOM 1274 CG TRP A 78 109.007 6.503 -5.360 1.00 0.43 C ATOM 1275 CD1 TRP A 78 109.025 7.819 -5.046 1.00 0.44 C ATOM 1276 CD2 TRP A 78 109.993 5.863 -4.501 1.00 0.40 C ATOM 1277 NE1 TRP A 78 109.957 8.026 -4.045 1.00 0.42 N ATOM 1278 CE2 TRP A 78 110.582 6.851 -3.677 1.00 0.38 C ATOM 1279 CE3 TRP A 78 110.429 4.534 -4.357 1.00 0.41 C ATOM 1280 CZ2 TRP A 78 111.568 6.531 -2.743 1.00 0.37 C ATOM 1281 CZ3 TRP A 78 111.422 4.208 -3.419 1.00 0.40 C ATOM 1282 CH2 TRP A 78 111.990 5.205 -2.614 1.00 0.37 C ATOM 0 H TRP A 78 109.206 7.428 -8.043 1.00 0.46 H new ATOM 0 HA TRP A 78 109.862 4.858 -7.166 1.00 0.47 H new ATOM 0 HB2 TRP A 78 107.402 6.604 -6.757 1.00 0.48 H new ATOM 0 HB3 TRP A 78 107.563 5.054 -5.955 1.00 0.48 H new ATOM 0 HD1 TRP A 78 108.412 8.583 -5.502 1.00 0.44 H new ATOM 0 HE1 TRP A 78 110.158 8.936 -3.629 1.00 0.42 H new ATOM 0 HE3 TRP A 78 109.997 3.758 -4.972 1.00 0.41 H new ATOM 0 HZ2 TRP A 78 112.002 7.303 -2.124 1.00 0.37 H new ATOM 0 HZ3 TRP A 78 111.750 3.184 -3.317 1.00 0.40 H new ATOM 0 HH2 TRP A 78 112.753 4.949 -1.894 1.00 0.37 H new ATOM 1293 N GLN A 79 107.573 4.861 -9.468 1.00 0.63 N ATOM 1294 CA GLN A 79 106.754 3.967 -10.329 1.00 0.71 C ATOM 1295 C GLN A 79 107.629 2.825 -10.860 1.00 0.69 C ATOM 1296 O GLN A 79 107.202 1.690 -10.932 1.00 0.73 O ATOM 1297 CB GLN A 79 106.192 4.769 -11.507 1.00 0.82 C ATOM 1298 CG GLN A 79 105.124 3.943 -12.231 1.00 1.41 C ATOM 1299 CD GLN A 79 103.819 3.973 -11.431 1.00 1.81 C ATOM 1300 OE1 GLN A 79 102.818 3.432 -11.858 1.00 2.52 O ATOM 1301 NE2 GLN A 79 103.786 4.588 -10.280 1.00 2.23 N ATOM 0 H GLN A 79 107.632 5.830 -9.780 1.00 0.63 H new ATOM 0 HA GLN A 79 105.932 3.553 -9.745 1.00 0.71 H new ATOM 0 HB2 GLN A 79 105.762 5.705 -11.150 1.00 0.82 H new ATOM 0 HB3 GLN A 79 106.994 5.030 -12.198 1.00 0.82 H new ATOM 0 HG2 GLN A 79 104.958 4.342 -13.232 1.00 1.41 H new ATOM 0 HG3 GLN A 79 105.465 2.915 -12.351 1.00 1.41 H new ATOM 0 HE21 GLN A 79 104.625 5.042 -9.920 1.00 2.23 H new ATOM 0 HE22 GLN A 79 102.921 4.614 -9.740 1.00 2.23 H new ATOM 1310 N GLU A 80 108.848 3.115 -11.241 1.00 0.66 N ATOM 1311 CA GLU A 80 109.732 2.035 -11.774 1.00 0.67 C ATOM 1312 C GLU A 80 109.947 0.965 -10.702 1.00 0.62 C ATOM 1313 O GLU A 80 109.753 -0.211 -10.942 1.00 0.69 O ATOM 1314 CB GLU A 80 111.087 2.625 -12.173 1.00 0.67 C ATOM 1315 CG GLU A 80 110.924 3.503 -13.416 1.00 1.29 C ATOM 1316 CD GLU A 80 112.304 3.874 -13.963 1.00 2.04 C ATOM 1317 OE1 GLU A 80 113.181 3.028 -13.921 1.00 2.65 O ATOM 1318 OE2 GLU A 80 112.460 4.997 -14.411 1.00 2.77 O ATOM 0 H GLU A 80 109.266 4.045 -11.206 1.00 0.66 H new ATOM 0 HA GLU A 80 109.257 1.587 -12.647 1.00 0.67 H new ATOM 0 HB2 GLU A 80 111.494 3.214 -11.351 1.00 0.67 H new ATOM 0 HB3 GLU A 80 111.798 1.824 -12.373 1.00 0.67 H new ATOM 0 HG2 GLU A 80 110.350 2.973 -14.176 1.00 1.29 H new ATOM 0 HG3 GLU A 80 110.365 4.405 -13.166 1.00 1.29 H new ATOM 1325 N ILE A 81 110.333 1.358 -9.518 1.00 0.55 N ATOM 1326 CA ILE A 81 110.540 0.351 -8.440 1.00 0.56 C ATOM 1327 C ILE A 81 109.216 -0.375 -8.197 1.00 0.64 C ATOM 1328 O ILE A 81 109.161 -1.587 -8.144 1.00 0.76 O ATOM 1329 CB ILE A 81 111.017 1.053 -7.162 1.00 0.51 C ATOM 1330 CG1 ILE A 81 112.450 1.562 -7.371 1.00 0.48 C ATOM 1331 CG2 ILE A 81 110.996 0.066 -5.991 1.00 0.59 C ATOM 1332 CD1 ILE A 81 112.807 2.566 -6.274 1.00 0.50 C ATOM 0 H ILE A 81 110.513 2.326 -9.252 1.00 0.55 H new ATOM 0 HA ILE A 81 111.301 -0.372 -8.734 1.00 0.56 H new ATOM 0 HB ILE A 81 110.355 1.890 -6.940 1.00 0.51 H new ATOM 0 HG12 ILE A 81 113.149 0.726 -7.353 1.00 0.48 H new ATOM 0 HG13 ILE A 81 112.540 2.032 -8.350 1.00 0.48 H new ATOM 0 HG21 ILE A 81 111.336 0.569 -5.085 1.00 0.59 H new ATOM 0 HG22 ILE A 81 109.981 -0.302 -5.843 1.00 0.59 H new ATOM 0 HG23 ILE A 81 111.657 -0.773 -6.210 1.00 0.59 H new ATOM 0 HD11 ILE A 81 113.825 2.925 -6.426 1.00 0.50 H new ATOM 0 HD12 ILE A 81 112.116 3.408 -6.313 1.00 0.50 H new ATOM 0 HD13 ILE A 81 112.735 2.082 -5.300 1.00 0.50 H new ATOM 1344 N ILE A 82 108.144 0.360 -8.074 1.00 0.66 N ATOM 1345 CA ILE A 82 106.817 -0.279 -7.862 1.00 0.78 C ATOM 1346 C ILE A 82 106.488 -1.177 -9.057 1.00 0.82 C ATOM 1347 O ILE A 82 105.991 -2.275 -8.901 1.00 0.92 O ATOM 1348 CB ILE A 82 105.750 0.822 -7.716 1.00 0.87 C ATOM 1349 CG1 ILE A 82 105.806 1.393 -6.293 1.00 0.79 C ATOM 1350 CG2 ILE A 82 104.345 0.266 -7.998 1.00 1.27 C ATOM 1351 CD1 ILE A 82 104.988 2.685 -6.213 1.00 0.84 C ATOM 0 H ILE A 82 108.132 1.379 -8.112 1.00 0.66 H new ATOM 0 HA ILE A 82 106.834 -0.888 -6.958 1.00 0.78 H new ATOM 0 HB ILE A 82 105.956 1.609 -8.441 1.00 0.87 H new ATOM 0 HG12 ILE A 82 105.417 0.662 -5.584 1.00 0.79 H new ATOM 0 HG13 ILE A 82 106.841 1.590 -6.012 1.00 0.79 H new ATOM 0 HG21 ILE A 82 103.610 1.063 -7.888 1.00 1.27 H new ATOM 0 HG22 ILE A 82 104.306 -0.126 -9.014 1.00 1.27 H new ATOM 0 HG23 ILE A 82 104.122 -0.534 -7.292 1.00 1.27 H new ATOM 0 HD11 ILE A 82 105.034 3.083 -5.199 1.00 0.84 H new ATOM 0 HD12 ILE A 82 105.396 3.418 -6.909 1.00 0.84 H new ATOM 0 HD13 ILE A 82 103.951 2.476 -6.474 1.00 0.84 H new ATOM 1537 N ALA A 95 104.935 2.945 -2.468 1.00 0.69 N ATOM 1538 CA ALA A 95 105.841 4.125 -2.578 1.00 0.66 C ATOM 1539 C ALA A 95 106.106 4.685 -1.182 1.00 0.57 C ATOM 1540 O ALA A 95 107.228 4.987 -0.825 1.00 0.53 O ATOM 1541 CB ALA A 95 105.180 5.206 -3.445 1.00 0.73 C ATOM 0 HA ALA A 95 106.781 3.821 -3.038 1.00 0.66 H new ATOM 0 HB1 ALA A 95 105.845 6.066 -3.523 1.00 0.73 H new ATOM 0 HB2 ALA A 95 104.986 4.806 -4.440 1.00 0.73 H new ATOM 0 HB3 ALA A 95 104.240 5.514 -2.988 1.00 0.73 H new ATOM 1547 N PHE A 96 105.083 4.827 -0.391 1.00 0.59 N ATOM 1548 CA PHE A 96 105.274 5.370 0.982 1.00 0.55 C ATOM 1549 C PHE A 96 106.015 4.347 1.854 1.00 0.48 C ATOM 1550 O PHE A 96 106.857 4.696 2.656 1.00 0.44 O ATOM 1551 CB PHE A 96 103.909 5.674 1.600 1.00 0.65 C ATOM 1552 CG PHE A 96 104.104 6.365 2.927 1.00 0.65 C ATOM 1553 CD1 PHE A 96 104.197 7.760 2.979 1.00 0.69 C ATOM 1554 CD2 PHE A 96 104.188 5.613 4.105 1.00 0.65 C ATOM 1555 CE1 PHE A 96 104.376 8.405 4.208 1.00 0.73 C ATOM 1556 CE2 PHE A 96 104.367 6.258 5.335 1.00 0.69 C ATOM 1557 CZ PHE A 96 104.461 7.654 5.386 1.00 0.72 C ATOM 0 H PHE A 96 104.121 4.591 -0.635 1.00 0.59 H new ATOM 0 HA PHE A 96 105.865 6.284 0.927 1.00 0.55 H new ATOM 0 HB2 PHE A 96 103.327 6.306 0.930 1.00 0.65 H new ATOM 0 HB3 PHE A 96 103.346 4.751 1.737 1.00 0.65 H new ATOM 0 HD1 PHE A 96 104.131 8.340 2.070 1.00 0.69 H new ATOM 0 HD2 PHE A 96 104.115 4.536 4.065 1.00 0.65 H new ATOM 0 HE1 PHE A 96 104.449 9.482 4.247 1.00 0.73 H new ATOM 0 HE2 PHE A 96 104.433 5.679 6.244 1.00 0.69 H new ATOM 0 HZ PHE A 96 104.599 8.151 6.335 1.00 0.72 H new ATOM 1567 N THR A 97 105.692 3.091 1.718 1.00 0.52 N ATOM 1568 CA THR A 97 106.363 2.051 2.553 1.00 0.50 C ATOM 1569 C THR A 97 107.849 1.935 2.179 1.00 0.43 C ATOM 1570 O THR A 97 108.703 1.799 3.031 1.00 0.43 O ATOM 1571 CB THR A 97 105.677 0.702 2.320 1.00 0.60 C ATOM 1572 OG1 THR A 97 104.269 0.870 2.396 1.00 0.70 O ATOM 1573 CG2 THR A 97 106.126 -0.291 3.392 1.00 0.66 C ATOM 0 H THR A 97 104.992 2.738 1.065 1.00 0.52 H new ATOM 0 HA THR A 97 106.287 2.337 3.602 1.00 0.50 H new ATOM 0 HB THR A 97 105.948 0.322 1.335 1.00 0.60 H new ATOM 0 HG1 THR A 97 103.828 0.008 2.245 1.00 0.70 H new ATOM 0 HG21 THR A 97 105.638 -1.251 3.226 1.00 0.66 H new ATOM 0 HG22 THR A 97 107.207 -0.420 3.339 1.00 0.66 H new ATOM 0 HG23 THR A 97 105.854 0.089 4.377 1.00 0.66 H new ATOM 1581 N LEU A 98 108.162 1.956 0.913 1.00 0.41 N ATOM 1582 CA LEU A 98 109.590 1.819 0.491 1.00 0.39 C ATOM 1583 C LEU A 98 110.415 3.041 0.913 1.00 0.35 C ATOM 1584 O LEU A 98 111.473 2.912 1.498 1.00 0.38 O ATOM 1585 CB LEU A 98 109.650 1.688 -1.032 1.00 0.40 C ATOM 1586 CG LEU A 98 108.884 0.436 -1.485 1.00 0.47 C ATOM 1587 CD1 LEU A 98 108.589 0.540 -2.984 1.00 0.57 C ATOM 1588 CD2 LEU A 98 109.716 -0.829 -1.224 1.00 0.55 C ATOM 0 H LEU A 98 107.493 2.062 0.150 1.00 0.41 H new ATOM 0 HA LEU A 98 110.006 0.935 0.974 1.00 0.39 H new ATOM 0 HB2 LEU A 98 109.221 2.575 -1.498 1.00 0.40 H new ATOM 0 HB3 LEU A 98 110.688 1.627 -1.359 1.00 0.40 H new ATOM 0 HG LEU A 98 107.954 0.371 -0.921 1.00 0.47 H new ATOM 0 HD11 LEU A 98 108.045 -0.347 -3.310 1.00 0.57 H new ATOM 0 HD12 LEU A 98 107.985 1.427 -3.175 1.00 0.57 H new ATOM 0 HD13 LEU A 98 109.527 0.614 -3.535 1.00 0.57 H new ATOM 0 HD21 LEU A 98 109.157 -1.706 -1.551 1.00 0.55 H new ATOM 0 HD22 LEU A 98 110.653 -0.769 -1.777 1.00 0.55 H new ATOM 0 HD23 LEU A 98 109.929 -0.911 -0.158 1.00 0.55 H new ATOM 1600 N ARG A 99 109.961 4.222 0.593 1.00 0.33 N ATOM 1601 CA ARG A 99 110.744 5.443 0.945 1.00 0.36 C ATOM 1602 C ARG A 99 110.946 5.553 2.461 1.00 0.35 C ATOM 1603 O ARG A 99 112.002 5.941 2.920 1.00 0.41 O ATOM 1604 CB ARG A 99 110.017 6.688 0.424 1.00 0.41 C ATOM 1605 CG ARG A 99 108.721 6.904 1.207 1.00 0.41 C ATOM 1606 CD ARG A 99 107.911 8.024 0.553 1.00 0.51 C ATOM 1607 NE ARG A 99 107.420 7.575 -0.779 1.00 0.56 N ATOM 1608 CZ ARG A 99 107.030 8.456 -1.659 1.00 0.73 C ATOM 1609 NH1 ARG A 99 106.615 9.629 -1.267 1.00 1.34 N ATOM 1610 NH2 ARG A 99 107.055 8.165 -2.931 1.00 1.46 N ATOM 0 H ARG A 99 109.083 4.395 0.104 1.00 0.33 H new ATOM 0 HA ARG A 99 111.726 5.368 0.477 1.00 0.36 H new ATOM 0 HB2 ARG A 99 110.660 7.562 0.522 1.00 0.41 H new ATOM 0 HB3 ARG A 99 109.795 6.572 -0.637 1.00 0.41 H new ATOM 0 HG2 ARG A 99 108.138 5.983 1.227 1.00 0.41 H new ATOM 0 HG3 ARG A 99 108.947 7.161 2.242 1.00 0.41 H new ATOM 0 HD2 ARG A 99 107.069 8.296 1.189 1.00 0.51 H new ATOM 0 HD3 ARG A 99 108.528 8.916 0.442 1.00 0.51 H new ATOM 0 HE ARG A 99 107.389 6.580 -1.003 1.00 0.56 H new ATOM 0 HH11 ARG A 99 106.596 9.857 -0.273 1.00 1.34 H new ATOM 0 HH12 ARG A 99 106.310 10.318 -1.954 1.00 1.34 H new ATOM 0 HH21 ARG A 99 107.380 7.248 -3.238 1.00 1.46 H new ATOM 0 HH22 ARG A 99 106.750 8.854 -3.618 1.00 1.46 H new ATOM 1624 N THR A 100 109.952 5.236 3.247 1.00 0.33 N ATOM 1625 CA THR A 100 110.125 5.357 4.724 1.00 0.35 C ATOM 1626 C THR A 100 111.078 4.266 5.235 1.00 0.33 C ATOM 1627 O THR A 100 111.983 4.534 6.000 1.00 0.34 O ATOM 1628 CB THR A 100 108.751 5.273 5.422 1.00 0.40 C ATOM 1629 OG1 THR A 100 108.796 6.021 6.628 1.00 0.44 O ATOM 1630 CG2 THR A 100 108.371 3.821 5.743 1.00 0.43 C ATOM 0 H THR A 100 109.039 4.903 2.936 1.00 0.33 H new ATOM 0 HA THR A 100 110.567 6.325 4.959 1.00 0.35 H new ATOM 0 HB THR A 100 107.999 5.680 4.746 1.00 0.40 H new ATOM 0 HG1 THR A 100 107.925 5.973 7.075 1.00 0.44 H new ATOM 0 HG21 THR A 100 107.398 3.800 6.234 1.00 0.43 H new ATOM 0 HG22 THR A 100 108.324 3.244 4.819 1.00 0.43 H new ATOM 0 HG23 THR A 100 109.121 3.386 6.404 1.00 0.43 H new ATOM 1638 N GLN A 101 110.888 3.040 4.821 1.00 0.33 N ATOM 1639 CA GLN A 101 111.796 1.959 5.297 1.00 0.34 C ATOM 1640 C GLN A 101 113.224 2.289 4.876 1.00 0.30 C ATOM 1641 O GLN A 101 114.169 2.086 5.616 1.00 0.30 O ATOM 1642 CB GLN A 101 111.392 0.617 4.678 1.00 0.39 C ATOM 1643 CG GLN A 101 110.111 0.102 5.337 1.00 0.95 C ATOM 1644 CD GLN A 101 109.845 -1.329 4.868 1.00 1.43 C ATOM 1645 OE1 GLN A 101 108.726 -1.685 4.560 1.00 2.15 O ATOM 1646 NE2 GLN A 101 110.839 -2.173 4.801 1.00 1.95 N ATOM 0 H GLN A 101 110.151 2.744 4.181 1.00 0.33 H new ATOM 0 HA GLN A 101 111.727 1.887 6.382 1.00 0.34 H new ATOM 0 HB2 GLN A 101 111.238 0.734 3.605 1.00 0.39 H new ATOM 0 HB3 GLN A 101 112.195 -0.109 4.807 1.00 0.39 H new ATOM 0 HG2 GLN A 101 110.210 0.129 6.422 1.00 0.95 H new ATOM 0 HG3 GLN A 101 109.270 0.745 5.077 1.00 0.95 H new ATOM 0 HE21 GLN A 101 111.780 -1.875 5.060 1.00 1.95 H new ATOM 0 HE22 GLN A 101 110.675 -3.130 4.490 1.00 1.95 H new ATOM 1655 N TYR A 102 113.389 2.798 3.688 1.00 0.28 N ATOM 1656 CA TYR A 102 114.753 3.138 3.214 1.00 0.26 C ATOM 1657 C TYR A 102 115.366 4.170 4.164 1.00 0.24 C ATOM 1658 O TYR A 102 116.440 3.990 4.699 1.00 0.25 O ATOM 1659 CB TYR A 102 114.656 3.736 1.806 1.00 0.27 C ATOM 1660 CG TYR A 102 116.012 3.705 1.129 1.00 0.25 C ATOM 1661 CD1 TYR A 102 117.044 4.548 1.567 1.00 0.25 C ATOM 1662 CD2 TYR A 102 116.236 2.830 0.058 1.00 0.30 C ATOM 1663 CE1 TYR A 102 118.290 4.514 0.932 1.00 0.26 C ATOM 1664 CE2 TYR A 102 117.483 2.798 -0.573 1.00 0.31 C ATOM 1665 CZ TYR A 102 118.509 3.640 -0.136 1.00 0.28 C ATOM 1666 OH TYR A 102 119.737 3.609 -0.759 1.00 0.31 O ATOM 0 H TYR A 102 112.637 2.992 3.027 1.00 0.28 H new ATOM 0 HA TYR A 102 115.376 2.244 3.191 1.00 0.26 H new ATOM 0 HB2 TYR A 102 113.933 3.175 1.214 1.00 0.27 H new ATOM 0 HB3 TYR A 102 114.293 4.762 1.863 1.00 0.27 H new ATOM 0 HD1 TYR A 102 116.877 5.223 2.394 1.00 0.25 H new ATOM 0 HD2 TYR A 102 115.444 2.179 -0.281 1.00 0.30 H new ATOM 0 HE1 TYR A 102 119.084 5.164 1.268 1.00 0.26 H new ATOM 0 HE2 TYR A 102 117.653 2.122 -1.398 1.00 0.31 H new ATOM 0 HH TYR A 102 119.978 2.681 -0.962 1.00 0.31 H new ATOM 1676 N MET A 103 114.683 5.254 4.378 1.00 0.24 N ATOM 1677 CA MET A 103 115.218 6.305 5.283 1.00 0.25 C ATOM 1678 C MET A 103 115.323 5.766 6.705 1.00 0.25 C ATOM 1679 O MET A 103 116.028 6.311 7.532 1.00 0.27 O ATOM 1680 CB MET A 103 114.294 7.523 5.248 1.00 0.28 C ATOM 1681 CG MET A 103 114.425 8.217 3.891 1.00 1.11 C ATOM 1682 SD MET A 103 113.272 9.609 3.807 1.00 1.39 S ATOM 1683 CE MET A 103 113.599 10.067 2.087 1.00 1.28 C ATOM 0 H MET A 103 113.774 5.460 3.964 1.00 0.24 H new ATOM 0 HA MET A 103 116.213 6.599 4.948 1.00 0.25 H new ATOM 0 HB2 MET A 103 113.262 7.216 5.414 1.00 0.28 H new ATOM 0 HB3 MET A 103 114.554 8.214 6.050 1.00 0.28 H new ATOM 0 HG2 MET A 103 115.447 8.569 3.748 1.00 1.11 H new ATOM 0 HG3 MET A 103 114.216 7.510 3.088 1.00 1.11 H new ATOM 0 HE1 MET A 103 112.982 10.923 1.815 1.00 1.28 H new ATOM 0 HE2 MET A 103 114.651 10.328 1.974 1.00 1.28 H new ATOM 0 HE3 MET A 103 113.361 9.226 1.435 1.00 1.28 H new ATOM 1693 N LYS A 104 114.621 4.716 7.008 1.00 0.28 N ATOM 1694 CA LYS A 104 114.684 4.173 8.388 1.00 0.32 C ATOM 1695 C LYS A 104 116.096 3.623 8.674 1.00 0.29 C ATOM 1696 O LYS A 104 116.617 3.800 9.757 1.00 0.31 O ATOM 1697 CB LYS A 104 113.616 3.073 8.551 1.00 0.39 C ATOM 1698 CG LYS A 104 113.106 3.034 10.003 1.00 0.47 C ATOM 1699 CD LYS A 104 112.012 4.100 10.205 1.00 1.24 C ATOM 1700 CE LYS A 104 111.892 4.448 11.691 1.00 1.40 C ATOM 1701 NZ LYS A 104 111.612 3.210 12.469 1.00 2.18 N ATOM 0 H LYS A 104 114.010 4.213 6.365 1.00 0.28 H new ATOM 0 HA LYS A 104 114.481 4.966 9.107 1.00 0.32 H new ATOM 0 HB2 LYS A 104 112.785 3.260 7.871 1.00 0.39 H new ATOM 0 HB3 LYS A 104 114.037 2.105 8.280 1.00 0.39 H new ATOM 0 HG2 LYS A 104 112.709 2.045 10.231 1.00 0.47 H new ATOM 0 HG3 LYS A 104 113.931 3.213 10.692 1.00 0.47 H new ATOM 0 HD2 LYS A 104 112.254 4.995 9.631 1.00 1.24 H new ATOM 0 HD3 LYS A 104 111.058 3.730 9.831 1.00 1.24 H new ATOM 0 HE2 LYS A 104 112.814 4.911 12.043 1.00 1.40 H new ATOM 0 HE3 LYS A 104 111.093 5.174 11.842 1.00 1.40 H new ATOM 0 HZ1 LYS A 104 111.298 3.466 13.427 1.00 2.18 H new ATOM 0 HZ2 LYS A 104 110.866 2.663 11.994 1.00 2.18 H new ATOM 0 HZ3 LYS A 104 112.477 2.635 12.530 1.00 2.18 H new ATOM 1715 N TYR A 105 116.731 2.960 7.729 1.00 0.27 N ATOM 1716 CA TYR A 105 118.111 2.425 8.007 1.00 0.28 C ATOM 1717 C TYR A 105 118.966 2.351 6.732 1.00 0.27 C ATOM 1718 O TYR A 105 119.967 1.662 6.715 1.00 0.30 O ATOM 1719 CB TYR A 105 118.014 1.014 8.593 1.00 0.32 C ATOM 1720 CG TYR A 105 117.231 1.041 9.880 1.00 0.36 C ATOM 1721 CD1 TYR A 105 117.852 1.429 11.073 1.00 0.46 C ATOM 1722 CD2 TYR A 105 115.881 0.681 9.876 1.00 0.38 C ATOM 1723 CE1 TYR A 105 117.117 1.457 12.264 1.00 0.55 C ATOM 1724 CE2 TYR A 105 115.146 0.710 11.063 1.00 0.44 C ATOM 1725 CZ TYR A 105 115.762 1.098 12.259 1.00 0.51 C ATOM 1726 OH TYR A 105 115.034 1.129 13.431 1.00 0.61 O ATOM 0 H TYR A 105 116.364 2.769 6.797 1.00 0.27 H new ATOM 0 HA TYR A 105 118.583 3.110 8.711 1.00 0.28 H new ATOM 0 HB2 TYR A 105 117.531 0.347 7.878 1.00 0.32 H new ATOM 0 HB3 TYR A 105 119.013 0.618 8.774 1.00 0.32 H new ATOM 0 HD1 TYR A 105 118.896 1.706 11.075 1.00 0.46 H new ATOM 0 HD2 TYR A 105 115.406 0.380 8.954 1.00 0.38 H new ATOM 0 HE1 TYR A 105 117.594 1.755 13.186 1.00 0.55 H new ATOM 0 HE2 TYR A 105 114.102 0.433 11.058 1.00 0.44 H new ATOM 0 HH TYR A 105 114.111 0.852 13.250 1.00 0.61 H new ATOM 1736 N LEU A 106 118.599 3.031 5.666 1.00 0.25 N ATOM 1737 CA LEU A 106 119.427 2.963 4.406 1.00 0.27 C ATOM 1738 C LEU A 106 119.833 4.368 3.942 1.00 0.27 C ATOM 1739 O LEU A 106 120.757 4.516 3.167 1.00 0.27 O ATOM 1740 CB LEU A 106 118.628 2.258 3.299 1.00 0.27 C ATOM 1741 CG LEU A 106 118.638 0.730 3.529 1.00 0.31 C ATOM 1742 CD1 LEU A 106 117.423 0.089 2.844 1.00 0.34 C ATOM 1743 CD2 LEU A 106 119.924 0.114 2.949 1.00 0.34 C ATOM 0 H LEU A 106 117.772 3.625 5.611 1.00 0.25 H new ATOM 0 HA LEU A 106 120.334 2.397 4.618 1.00 0.27 H new ATOM 0 HB2 LEU A 106 117.602 2.626 3.290 1.00 0.27 H new ATOM 0 HB3 LEU A 106 119.058 2.490 2.325 1.00 0.27 H new ATOM 0 HG LEU A 106 118.597 0.541 4.602 1.00 0.31 H new ATOM 0 HD11 LEU A 106 117.437 -0.988 3.011 1.00 0.34 H new ATOM 0 HD12 LEU A 106 116.507 0.508 3.261 1.00 0.34 H new ATOM 0 HD13 LEU A 106 117.460 0.291 1.773 1.00 0.34 H new ATOM 0 HD21 LEU A 106 119.920 -0.963 3.117 1.00 0.34 H new ATOM 0 HD22 LEU A 106 119.973 0.314 1.879 1.00 0.34 H new ATOM 0 HD23 LEU A 106 120.792 0.554 3.440 1.00 0.34 H new ATOM 1755 N TYR A 107 119.179 5.406 4.399 1.00 0.30 N ATOM 1756 CA TYR A 107 119.597 6.764 3.944 1.00 0.32 C ATOM 1757 C TYR A 107 120.991 7.099 4.506 1.00 0.31 C ATOM 1758 O TYR A 107 121.788 7.705 3.816 1.00 0.30 O ATOM 1759 CB TYR A 107 118.559 7.839 4.330 1.00 0.39 C ATOM 1760 CG TYR A 107 119.149 9.216 4.134 1.00 0.35 C ATOM 1761 CD1 TYR A 107 119.164 9.787 2.856 1.00 0.44 C ATOM 1762 CD2 TYR A 107 119.676 9.920 5.223 1.00 0.43 C ATOM 1763 CE1 TYR A 107 119.705 11.062 2.664 1.00 0.50 C ATOM 1764 CE2 TYR A 107 120.219 11.197 5.032 1.00 0.48 C ATOM 1765 CZ TYR A 107 120.233 11.768 3.752 1.00 0.48 C ATOM 1766 OH TYR A 107 120.767 13.025 3.563 1.00 0.60 O ATOM 0 H TYR A 107 118.394 5.375 5.050 1.00 0.30 H new ATOM 0 HA TYR A 107 119.653 6.759 2.855 1.00 0.32 H new ATOM 0 HB2 TYR A 107 117.663 7.727 3.720 1.00 0.39 H new ATOM 0 HB3 TYR A 107 118.256 7.708 5.369 1.00 0.39 H new ATOM 0 HD1 TYR A 107 118.757 9.242 2.017 1.00 0.44 H new ATOM 0 HD2 TYR A 107 119.664 9.479 6.209 1.00 0.43 H new ATOM 0 HE1 TYR A 107 119.716 11.502 1.678 1.00 0.50 H new ATOM 0 HE2 TYR A 107 120.627 11.742 5.871 1.00 0.48 H new ATOM 0 HH TYR A 107 120.310 13.466 2.816 1.00 0.60 H new ATOM 1776 N PRO A 108 121.324 6.704 5.722 1.00 0.32 N ATOM 1777 CA PRO A 108 122.680 7.001 6.255 1.00 0.35 C ATOM 1778 C PRO A 108 123.727 6.105 5.578 1.00 0.31 C ATOM 1779 O PRO A 108 124.839 6.513 5.309 1.00 0.32 O ATOM 1780 CB PRO A 108 122.533 6.671 7.758 1.00 0.40 C ATOM 1781 CG PRO A 108 121.090 6.188 8.009 1.00 0.40 C ATOM 1782 CD PRO A 108 120.420 5.958 6.645 1.00 0.35 C ATOM 0 HA PRO A 108 123.013 8.023 6.078 1.00 0.35 H new ATOM 0 HB2 PRO A 108 123.247 5.901 8.049 1.00 0.40 H new ATOM 0 HB3 PRO A 108 122.749 7.552 8.363 1.00 0.40 H new ATOM 0 HG2 PRO A 108 121.093 5.267 8.592 1.00 0.40 H new ATOM 0 HG3 PRO A 108 120.536 6.928 8.586 1.00 0.40 H new ATOM 0 HD2 PRO A 108 120.363 4.899 6.392 1.00 0.35 H new ATOM 0 HD3 PRO A 108 119.402 6.347 6.620 1.00 0.35 H new ATOM 1790 N TYR A 109 123.359 4.880 5.309 1.00 0.30 N ATOM 1791 CA TYR A 109 124.301 3.930 4.653 1.00 0.30 C ATOM 1792 C TYR A 109 124.566 4.379 3.213 1.00 0.30 C ATOM 1793 O TYR A 109 125.698 4.534 2.798 1.00 0.32 O ATOM 1794 CB TYR A 109 123.671 2.534 4.652 1.00 0.31 C ATOM 1795 CG TYR A 109 124.732 1.491 4.385 1.00 0.31 C ATOM 1796 CD1 TYR A 109 125.753 1.290 5.321 1.00 0.34 C ATOM 1797 CD2 TYR A 109 124.691 0.720 3.215 1.00 0.31 C ATOM 1798 CE1 TYR A 109 126.734 0.322 5.090 1.00 0.38 C ATOM 1799 CE2 TYR A 109 125.675 -0.249 2.985 1.00 0.36 C ATOM 1800 CZ TYR A 109 126.696 -0.448 3.922 1.00 0.39 C ATOM 1801 OH TYR A 109 127.663 -1.406 3.697 1.00 0.45 O ATOM 0 H TYR A 109 122.438 4.495 5.518 1.00 0.30 H new ATOM 0 HA TYR A 109 125.246 3.909 5.196 1.00 0.30 H new ATOM 0 HB2 TYR A 109 123.192 2.341 5.612 1.00 0.31 H new ATOM 0 HB3 TYR A 109 122.893 2.477 3.891 1.00 0.31 H new ATOM 0 HD1 TYR A 109 125.783 1.884 6.223 1.00 0.34 H new ATOM 0 HD2 TYR A 109 123.903 0.873 2.493 1.00 0.31 H new ATOM 0 HE1 TYR A 109 127.522 0.168 5.813 1.00 0.38 H new ATOM 0 HE2 TYR A 109 125.646 -0.844 2.084 1.00 0.36 H new ATOM 0 HH TYR A 109 127.283 -2.136 3.165 1.00 0.45 H new ATOM 1811 N GLU A 110 123.528 4.594 2.449 1.00 0.30 N ATOM 1812 CA GLU A 110 123.712 5.036 1.042 1.00 0.32 C ATOM 1813 C GLU A 110 124.637 6.248 1.012 1.00 0.30 C ATOM 1814 O GLU A 110 125.596 6.294 0.267 1.00 0.33 O ATOM 1815 CB GLU A 110 122.348 5.416 0.460 1.00 0.36 C ATOM 1816 CG GLU A 110 122.513 5.875 -0.989 1.00 0.44 C ATOM 1817 CD GLU A 110 121.135 5.991 -1.644 1.00 0.72 C ATOM 1818 OE1 GLU A 110 120.166 6.139 -0.917 1.00 1.74 O ATOM 1819 OE2 GLU A 110 121.069 5.916 -2.860 1.00 1.09 O ATOM 0 H GLU A 110 122.558 4.481 2.743 1.00 0.30 H new ATOM 0 HA GLU A 110 124.152 4.232 0.452 1.00 0.32 H new ATOM 0 HB2 GLU A 110 121.672 4.562 0.506 1.00 0.36 H new ATOM 0 HB3 GLU A 110 121.898 6.211 1.054 1.00 0.36 H new ATOM 0 HG2 GLU A 110 123.026 6.836 -1.022 1.00 0.44 H new ATOM 0 HG3 GLU A 110 123.131 5.165 -1.539 1.00 0.44 H new ATOM 1826 N CYS A 111 124.361 7.231 1.821 1.00 0.30 N ATOM 1827 CA CYS A 111 125.227 8.438 1.842 1.00 0.33 C ATOM 1828 C CYS A 111 126.645 8.033 2.256 1.00 0.36 C ATOM 1829 O CYS A 111 127.625 8.517 1.729 1.00 0.39 O ATOM 1830 CB CYS A 111 124.668 9.445 2.848 1.00 0.41 C ATOM 1831 SG CYS A 111 125.596 10.994 2.734 1.00 1.49 S ATOM 0 H CYS A 111 123.573 7.250 2.468 1.00 0.30 H new ATOM 0 HA CYS A 111 125.252 8.892 0.851 1.00 0.33 H new ATOM 0 HB2 CYS A 111 123.612 9.626 2.648 1.00 0.41 H new ATOM 0 HB3 CYS A 111 124.737 9.042 3.858 1.00 0.41 H new ATOM 0 HG CYS A 111 124.920 11.854 2.032 1.00 1.49 H new ATOM 1837 N GLU A 112 126.765 7.146 3.200 1.00 0.40 N ATOM 1838 CA GLU A 112 128.120 6.719 3.644 1.00 0.48 C ATOM 1839 C GLU A 112 128.816 5.958 2.512 1.00 0.50 C ATOM 1840 O GLU A 112 130.001 6.107 2.290 1.00 0.57 O ATOM 1841 CB GLU A 112 127.988 5.812 4.871 1.00 0.55 C ATOM 1842 CG GLU A 112 129.378 5.472 5.413 1.00 0.64 C ATOM 1843 CD GLU A 112 129.241 4.777 6.769 1.00 1.64 C ATOM 1844 OE1 GLU A 112 128.118 4.601 7.212 1.00 2.37 O ATOM 1845 OE2 GLU A 112 130.262 4.435 7.343 1.00 2.35 O ATOM 0 H GLU A 112 125.986 6.698 3.683 1.00 0.40 H new ATOM 0 HA GLU A 112 128.713 7.596 3.903 1.00 0.48 H new ATOM 0 HB2 GLU A 112 127.398 6.309 5.641 1.00 0.55 H new ATOM 0 HB3 GLU A 112 127.458 4.898 4.604 1.00 0.55 H new ATOM 0 HG2 GLU A 112 129.905 4.824 4.712 1.00 0.64 H new ATOM 0 HG3 GLU A 112 129.972 6.380 5.516 1.00 0.64 H new ATOM 1852 N LYS A 113 128.094 5.132 1.804 1.00 0.50 N ATOM 1853 CA LYS A 113 128.723 4.351 0.698 1.00 0.58 C ATOM 1854 C LYS A 113 129.180 5.268 -0.448 1.00 0.51 C ATOM 1855 O LYS A 113 130.304 5.169 -0.899 1.00 0.56 O ATOM 1856 CB LYS A 113 127.707 3.324 0.162 1.00 0.70 C ATOM 1857 CG LYS A 113 127.680 2.073 1.062 1.00 0.86 C ATOM 1858 CD LYS A 113 128.780 1.091 0.627 1.00 1.41 C ATOM 1859 CE LYS A 113 128.864 -0.066 1.623 1.00 2.01 C ATOM 1860 NZ LYS A 113 130.133 -0.815 1.402 1.00 2.63 N ATOM 0 H LYS A 113 127.098 4.964 1.943 1.00 0.50 H new ATOM 0 HA LYS A 113 129.602 3.842 1.094 1.00 0.58 H new ATOM 0 HB2 LYS A 113 126.714 3.772 0.122 1.00 0.70 H new ATOM 0 HB3 LYS A 113 127.970 3.041 -0.857 1.00 0.70 H new ATOM 0 HG2 LYS A 113 127.828 2.360 2.103 1.00 0.86 H new ATOM 0 HG3 LYS A 113 126.705 1.591 1.000 1.00 0.86 H new ATOM 0 HD2 LYS A 113 128.565 0.709 -0.371 1.00 1.41 H new ATOM 0 HD3 LYS A 113 129.739 1.606 0.572 1.00 1.41 H new ATOM 0 HE2 LYS A 113 128.826 0.314 2.644 1.00 2.01 H new ATOM 0 HE3 LYS A 113 128.009 -0.731 1.498 1.00 2.01 H new ATOM 0 HZ1 LYS A 113 130.193 -1.603 2.078 1.00 2.63 H new ATOM 0 HZ2 LYS A 113 130.151 -1.189 0.432 1.00 2.63 H new ATOM 0 HZ3 LYS A 113 130.942 -0.176 1.542 1.00 2.63 H new ATOM 1874 N LYS A 114 128.321 6.133 -0.947 1.00 0.46 N ATOM 1875 CA LYS A 114 128.722 7.022 -2.096 1.00 0.47 C ATOM 1876 C LYS A 114 128.478 8.505 -1.777 1.00 0.43 C ATOM 1877 O LYS A 114 128.842 9.368 -2.550 1.00 0.45 O ATOM 1878 CB LYS A 114 127.908 6.639 -3.335 1.00 0.58 C ATOM 1879 CG LYS A 114 128.180 5.177 -3.701 1.00 0.69 C ATOM 1880 CD LYS A 114 127.626 4.889 -5.099 1.00 1.23 C ATOM 1881 CE LYS A 114 127.593 3.376 -5.339 1.00 1.45 C ATOM 1882 NZ LYS A 114 128.787 2.743 -4.712 1.00 2.04 N ATOM 0 H LYS A 114 127.366 6.262 -0.612 1.00 0.46 H new ATOM 0 HA LYS A 114 129.788 6.882 -2.275 1.00 0.47 H new ATOM 0 HB2 LYS A 114 126.845 6.784 -3.142 1.00 0.58 H new ATOM 0 HB3 LYS A 114 128.172 7.288 -4.170 1.00 0.58 H new ATOM 0 HG2 LYS A 114 129.251 4.978 -3.675 1.00 0.69 H new ATOM 0 HG3 LYS A 114 127.715 4.515 -2.970 1.00 0.69 H new ATOM 0 HD2 LYS A 114 126.623 5.304 -5.196 1.00 1.23 H new ATOM 0 HD3 LYS A 114 128.246 5.373 -5.853 1.00 1.23 H new ATOM 0 HE2 LYS A 114 126.681 2.951 -4.919 1.00 1.45 H new ATOM 0 HE3 LYS A 114 127.578 3.168 -6.409 1.00 1.45 H new ATOM 0 HZ1 LYS A 114 128.922 1.790 -5.106 1.00 2.04 H new ATOM 0 HZ2 LYS A 114 129.629 3.321 -4.907 1.00 2.04 H new ATOM 0 HZ3 LYS A 114 128.644 2.675 -3.684 1.00 2.04 H new ATOM 1896 N ASN A 115 127.865 8.824 -0.668 1.00 0.41 N ATOM 1897 CA ASN A 115 127.620 10.269 -0.364 1.00 0.40 C ATOM 1898 C ASN A 115 126.888 10.907 -1.545 1.00 0.40 C ATOM 1899 O ASN A 115 127.337 11.877 -2.123 1.00 0.44 O ATOM 1900 CB ASN A 115 128.954 10.981 -0.137 1.00 0.43 C ATOM 1901 CG ASN A 115 128.694 12.362 0.465 1.00 0.47 C ATOM 1902 OD1 ASN A 115 127.683 12.977 0.190 1.00 1.13 O ATOM 1903 ND2 ASN A 115 129.568 12.876 1.286 1.00 1.14 N ATOM 0 H ASN A 115 127.528 8.162 0.031 1.00 0.41 H new ATOM 0 HA ASN A 115 127.013 10.359 0.537 1.00 0.40 H new ATOM 0 HB2 ASN A 115 129.584 10.393 0.531 1.00 0.43 H new ATOM 0 HB3 ASN A 115 129.492 11.078 -1.080 1.00 0.43 H new ATOM 0 HD21 ASN A 115 129.403 13.795 1.697 1.00 1.14 H new ATOM 0 HD22 ASN A 115 130.417 12.359 1.517 1.00 1.14 H new ATOM 1910 N LEU A 116 125.770 10.350 -1.912 1.00 0.38 N ATOM 1911 CA LEU A 116 124.993 10.888 -3.062 1.00 0.41 C ATOM 1912 C LEU A 116 124.472 12.291 -2.742 1.00 0.45 C ATOM 1913 O LEU A 116 124.435 13.156 -3.594 1.00 0.50 O ATOM 1914 CB LEU A 116 123.797 9.974 -3.323 1.00 0.40 C ATOM 1915 CG LEU A 116 124.264 8.519 -3.412 1.00 0.39 C ATOM 1916 CD1 LEU A 116 123.052 7.613 -3.646 1.00 0.39 C ATOM 1917 CD2 LEU A 116 125.260 8.359 -4.571 1.00 0.47 C ATOM 0 H LEU A 116 125.356 9.535 -1.459 1.00 0.38 H new ATOM 0 HA LEU A 116 125.642 10.934 -3.937 1.00 0.41 H new ATOM 0 HB2 LEU A 116 123.064 10.082 -2.523 1.00 0.40 H new ATOM 0 HB3 LEU A 116 123.302 10.264 -4.250 1.00 0.40 H new ATOM 0 HG LEU A 116 124.756 8.239 -2.480 1.00 0.39 H new ATOM 0 HD11 LEU A 116 123.380 6.576 -3.710 1.00 0.39 H new ATOM 0 HD12 LEU A 116 122.351 7.721 -2.818 1.00 0.39 H new ATOM 0 HD13 LEU A 116 122.560 7.896 -4.577 1.00 0.39 H new ATOM 0 HD21 LEU A 116 125.588 7.321 -4.628 1.00 0.47 H new ATOM 0 HD22 LEU A 116 124.777 8.639 -5.507 1.00 0.47 H new ATOM 0 HD23 LEU A 116 126.123 9.003 -4.401 1.00 0.47 H new ATOM 1929 N SER A 117 124.034 12.518 -1.532 1.00 0.46 N ATOM 1930 CA SER A 117 123.479 13.859 -1.187 1.00 0.52 C ATOM 1931 C SER A 117 123.570 14.104 0.324 1.00 0.52 C ATOM 1932 O SER A 117 124.189 13.356 1.054 1.00 0.56 O ATOM 1933 CB SER A 117 122.015 13.899 -1.623 1.00 0.57 C ATOM 1934 OG SER A 117 121.397 12.666 -1.283 1.00 1.21 O ATOM 0 H SER A 117 124.036 11.838 -0.772 1.00 0.46 H new ATOM 0 HA SER A 117 124.052 14.634 -1.697 1.00 0.52 H new ATOM 0 HB2 SER A 117 121.499 14.726 -1.135 1.00 0.57 H new ATOM 0 HB3 SER A 117 121.947 14.071 -2.697 1.00 0.57 H new ATOM 0 HG SER A 117 120.773 12.807 -0.540 1.00 1.21 H new ATOM 1940 N THR A 118 122.946 15.159 0.789 1.00 0.53 N ATOM 1941 CA THR A 118 122.966 15.494 2.245 1.00 0.56 C ATOM 1942 C THR A 118 121.534 15.870 2.661 1.00 0.55 C ATOM 1943 O THR A 118 120.735 16.253 1.830 1.00 0.53 O ATOM 1944 CB THR A 118 123.915 16.694 2.461 1.00 0.63 C ATOM 1945 OG1 THR A 118 123.959 17.470 1.273 1.00 0.66 O ATOM 1946 CG2 THR A 118 125.326 16.199 2.795 1.00 0.74 C ATOM 0 H THR A 118 122.416 15.811 0.211 1.00 0.53 H new ATOM 0 HA THR A 118 123.315 14.651 2.842 1.00 0.56 H new ATOM 0 HB THR A 118 123.546 17.298 3.290 1.00 0.63 H new ATOM 0 HG1 THR A 118 124.558 18.234 1.404 1.00 0.66 H new ATOM 0 HG21 THR A 118 125.985 17.054 2.945 1.00 0.74 H new ATOM 0 HG22 THR A 118 125.296 15.600 3.705 1.00 0.74 H new ATOM 0 HG23 THR A 118 125.702 15.590 1.973 1.00 0.74 H new ATOM 1954 N PRO A 119 121.196 15.761 3.924 1.00 0.60 N ATOM 1955 CA PRO A 119 119.820 16.106 4.374 1.00 0.64 C ATOM 1956 C PRO A 119 119.350 17.470 3.832 1.00 0.64 C ATOM 1957 O PRO A 119 118.168 17.735 3.738 1.00 0.65 O ATOM 1958 CB PRO A 119 119.964 16.114 5.914 1.00 0.74 C ATOM 1959 CG PRO A 119 121.425 15.762 6.269 1.00 0.74 C ATOM 1960 CD PRO A 119 122.134 15.299 4.986 1.00 0.65 C ATOM 0 HA PRO A 119 119.065 15.408 4.012 1.00 0.64 H new ATOM 0 HB2 PRO A 119 119.702 17.093 6.314 1.00 0.74 H new ATOM 0 HB3 PRO A 119 119.281 15.393 6.363 1.00 0.74 H new ATOM 0 HG2 PRO A 119 121.933 16.629 6.692 1.00 0.74 H new ATOM 0 HG3 PRO A 119 121.454 14.976 7.024 1.00 0.74 H new ATOM 0 HD2 PRO A 119 123.121 15.749 4.881 1.00 0.65 H new ATOM 0 HD3 PRO A 119 122.273 14.218 4.965 1.00 0.65 H new ATOM 1968 N ALA A 120 120.267 18.334 3.486 1.00 0.65 N ATOM 1969 CA ALA A 120 119.872 19.678 2.963 1.00 0.69 C ATOM 1970 C ALA A 120 119.238 19.558 1.572 1.00 0.64 C ATOM 1971 O ALA A 120 118.103 19.941 1.358 1.00 0.66 O ATOM 1972 CB ALA A 120 121.109 20.570 2.875 1.00 0.76 C ATOM 0 H ALA A 120 121.272 18.169 3.542 1.00 0.65 H new ATOM 0 HA ALA A 120 119.141 20.113 3.644 1.00 0.69 H new ATOM 0 HB1 ALA A 120 120.824 21.551 2.494 1.00 0.76 H new ATOM 0 HB2 ALA A 120 121.550 20.680 3.866 1.00 0.76 H new ATOM 0 HB3 ALA A 120 121.837 20.117 2.202 1.00 0.76 H new ATOM 1978 N GLU A 121 119.967 19.040 0.622 1.00 0.59 N ATOM 1979 CA GLU A 121 119.412 18.909 -0.757 1.00 0.57 C ATOM 1980 C GLU A 121 118.281 17.880 -0.749 1.00 0.49 C ATOM 1981 O GLU A 121 117.385 17.922 -1.568 1.00 0.50 O ATOM 1982 CB GLU A 121 120.528 18.486 -1.729 1.00 0.60 C ATOM 1983 CG GLU A 121 121.552 17.615 -1.002 1.00 0.66 C ATOM 1984 CD GLU A 121 122.467 16.943 -2.027 1.00 1.52 C ATOM 1985 OE1 GLU A 121 121.948 16.390 -2.982 1.00 2.14 O ATOM 1986 OE2 GLU A 121 123.672 16.998 -1.842 1.00 2.29 O ATOM 0 H GLU A 121 120.922 18.702 0.740 1.00 0.59 H new ATOM 0 HA GLU A 121 119.014 19.868 -1.089 1.00 0.57 H new ATOM 0 HB2 GLU A 121 120.102 17.937 -2.568 1.00 0.60 H new ATOM 0 HB3 GLU A 121 121.017 19.369 -2.141 1.00 0.60 H new ATOM 0 HG2 GLU A 121 122.141 18.223 -0.316 1.00 0.66 H new ATOM 0 HG3 GLU A 121 121.043 16.860 -0.402 1.00 0.66 H new ATOM 1993 N LEU A 122 118.307 16.970 0.179 1.00 0.45 N ATOM 1994 CA LEU A 122 117.220 15.955 0.250 1.00 0.42 C ATOM 1995 C LEU A 122 115.890 16.678 0.454 1.00 0.46 C ATOM 1996 O LEU A 122 114.902 16.381 -0.188 1.00 0.48 O ATOM 1997 CB LEU A 122 117.482 15.011 1.429 1.00 0.45 C ATOM 1998 CG LEU A 122 116.276 14.087 1.659 1.00 0.45 C ATOM 1999 CD1 LEU A 122 115.901 13.375 0.355 1.00 0.50 C ATOM 2000 CD2 LEU A 122 116.645 13.045 2.719 1.00 0.62 C ATOM 0 H LEU A 122 119.032 16.883 0.891 1.00 0.45 H new ATOM 0 HA LEU A 122 117.187 15.374 -0.672 1.00 0.42 H new ATOM 0 HB2 LEU A 122 118.373 14.414 1.233 1.00 0.45 H new ATOM 0 HB3 LEU A 122 117.679 15.592 2.330 1.00 0.45 H new ATOM 0 HG LEU A 122 115.425 14.679 1.995 1.00 0.45 H new ATOM 0 HD11 LEU A 122 115.045 12.723 0.530 1.00 0.50 H new ATOM 0 HD12 LEU A 122 115.644 14.115 -0.403 1.00 0.50 H new ATOM 0 HD13 LEU A 122 116.746 12.780 0.009 1.00 0.50 H new ATOM 0 HD21 LEU A 122 115.796 12.384 2.890 1.00 0.62 H new ATOM 0 HD22 LEU A 122 117.497 12.460 2.373 1.00 0.62 H new ATOM 0 HD23 LEU A 122 116.906 13.549 3.650 1.00 0.62 H new ATOM 2012 N GLN A 123 115.858 17.627 1.350 1.00 0.53 N ATOM 2013 CA GLN A 123 114.594 18.372 1.604 1.00 0.61 C ATOM 2014 C GLN A 123 114.151 19.061 0.316 1.00 0.62 C ATOM 2015 O GLN A 123 112.993 19.023 -0.052 1.00 0.66 O ATOM 2016 CB GLN A 123 114.837 19.429 2.682 1.00 0.72 C ATOM 2017 CG GLN A 123 113.499 20.015 3.142 1.00 1.28 C ATOM 2018 CD GLN A 123 112.794 19.010 4.056 1.00 1.44 C ATOM 2019 OE1 GLN A 123 113.411 18.092 4.558 1.00 2.11 O ATOM 2020 NE2 GLN A 123 111.521 19.152 4.306 1.00 1.82 N ATOM 0 H GLN A 123 116.654 17.918 1.917 1.00 0.53 H new ATOM 0 HA GLN A 123 113.821 17.680 1.937 1.00 0.61 H new ATOM 0 HB2 GLN A 123 115.361 18.985 3.529 1.00 0.72 H new ATOM 0 HB3 GLN A 123 115.476 20.221 2.291 1.00 0.72 H new ATOM 0 HG2 GLN A 123 113.663 20.953 3.672 1.00 1.28 H new ATOM 0 HG3 GLN A 123 112.872 20.241 2.279 1.00 1.28 H new ATOM 0 HE21 GLN A 123 111.001 19.922 3.885 1.00 1.82 H new ATOM 0 HE22 GLN A 123 111.046 18.493 4.922 1.00 1.82 H new ATOM 2029 N ALA A 124 115.062 19.676 -0.385 1.00 0.63 N ATOM 2030 CA ALA A 124 114.679 20.347 -1.654 1.00 0.70 C ATOM 2031 C ALA A 124 114.074 19.293 -2.575 1.00 0.66 C ATOM 2032 O ALA A 124 113.136 19.546 -3.304 1.00 0.75 O ATOM 2033 CB ALA A 124 115.917 20.960 -2.312 1.00 0.76 C ATOM 0 H ALA A 124 116.049 19.742 -0.135 1.00 0.63 H new ATOM 0 HA ALA A 124 113.960 21.143 -1.461 1.00 0.70 H new ATOM 0 HB1 ALA A 124 115.630 21.450 -3.242 1.00 0.76 H new ATOM 0 HB2 ALA A 124 116.362 21.692 -1.638 1.00 0.76 H new ATOM 0 HB3 ALA A 124 116.642 20.175 -2.525 1.00 0.76 H new ATOM 2039 N ALA A 125 114.602 18.102 -2.530 1.00 0.58 N ATOM 2040 CA ALA A 125 114.060 17.012 -3.382 1.00 0.60 C ATOM 2041 C ALA A 125 112.656 16.653 -2.894 1.00 0.63 C ATOM 2042 O ALA A 125 111.744 16.477 -3.677 1.00 0.75 O ATOM 2043 CB ALA A 125 114.975 15.792 -3.272 1.00 0.54 C ATOM 0 H ALA A 125 115.389 17.837 -1.937 1.00 0.58 H new ATOM 0 HA ALA A 125 114.011 17.335 -4.422 1.00 0.60 H new ATOM 0 HB1 ALA A 125 114.584 14.987 -3.894 1.00 0.54 H new ATOM 0 HB2 ALA A 125 115.977 16.057 -3.609 1.00 0.54 H new ATOM 0 HB3 ALA A 125 115.017 15.461 -2.234 1.00 0.54 H new ATOM 2049 N ILE A 126 112.470 16.553 -1.603 1.00 0.60 N ATOM 2050 CA ILE A 126 111.119 16.219 -1.076 1.00 0.73 C ATOM 2051 C ILE A 126 110.184 17.411 -1.294 1.00 0.84 C ATOM 2052 O ILE A 126 109.038 17.255 -1.666 1.00 0.97 O ATOM 2053 CB ILE A 126 111.220 15.904 0.418 1.00 0.77 C ATOM 2054 CG1 ILE A 126 112.106 14.669 0.612 1.00 0.76 C ATOM 2055 CG2 ILE A 126 109.823 15.625 0.979 1.00 0.95 C ATOM 2056 CD1 ILE A 126 112.421 14.488 2.098 1.00 0.86 C ATOM 0 H ILE A 126 113.193 16.688 -0.896 1.00 0.60 H new ATOM 0 HA ILE A 126 110.723 15.349 -1.600 1.00 0.73 H new ATOM 0 HB ILE A 126 111.655 16.754 0.943 1.00 0.77 H new ATOM 0 HG12 ILE A 126 111.601 13.783 0.227 1.00 0.76 H new ATOM 0 HG13 ILE A 126 113.031 14.780 0.045 1.00 0.76 H new ATOM 0 HG21 ILE A 126 109.896 15.401 2.043 1.00 0.95 H new ATOM 0 HG22 ILE A 126 109.192 16.502 0.836 1.00 0.95 H new ATOM 0 HG23 ILE A 126 109.385 14.773 0.458 1.00 0.95 H new ATOM 0 HD11 ILE A 126 113.051 13.609 2.232 1.00 0.86 H new ATOM 0 HD12 ILE A 126 112.944 15.369 2.469 1.00 0.86 H new ATOM 0 HD13 ILE A 126 111.492 14.357 2.653 1.00 0.86 H new