USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 674 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 116 SER OG : rot -39:sc= 0.423 USER MOD Set 1.2: B 119 THR OG1 : rot -130:sc= -0.195 USER MOD Set 2.1: A 16 SER OG : rot -33:sc= 0.157 USER MOD Set 2.2: A 19 THR OG1 : rot -137:sc= -0.354 USER MOD Single : A 5 THR OG1 : rot -11:sc= 0.762 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 168:sc= 1.2 USER MOD Single : A 21 SER OG : rot 180:sc= -0.457 USER MOD Single : A 25 ASN : amide:sc= 1.15 K(o=1.2,f=-0.18) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0432 F(o=-1.1,f=-0.043) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.0558 X(o=-0.056,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0788 USER MOD Single : A 33 LYS NZ :NH3+ -154:sc= 0.917 (180deg=-0.0279!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= -0.272 (180deg=-0.687) USER MOD Single : A 42 MET CE :methyl -158:sc= -3.98! (180deg=-5.67!) USER MOD Single : A 46 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.38) USER MOD Single : A 47 TYR OH : rot 15:sc= -0.885 USER MOD Single : A 50 ASN : amide:sc= -0.0156 X(o=-0.016,f=-0.27) USER MOD Single : A 54 GLN : amide:sc= 0.109 K(o=0.11,f=-1.6) USER MOD Single : A 55 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.65) USER MOD Single : A 59 LYS NZ :NH3+ 158:sc= 0.878 (180deg=-0.0221) USER MOD Single : B 105 THR OG1 : rot -12:sc= 0.745 USER MOD Single : B 107 TYR OH : rot 180:sc= 0 USER MOD Single : B 112 TYR OH : rot -144:sc= 0.0576 USER MOD Single : B 121 SER OG : rot 84:sc= -0.269 USER MOD Single : B 125 ASN : amide:sc= 1.22 K(o=1.2,f=-0.17) USER MOD Single : B 126 GLN :FLIP amide:sc= -0.076 F(o=-0.74,f=-0.076) USER MOD Single : B 128 SER OG : rot 180:sc= 0 USER MOD Single : B 129 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.014) USER MOD Single : B 131 SER OG : rot 180:sc= 0.0543 USER MOD Single : B 133 LYS NZ :NH3+ -153:sc= 0.859 (180deg=-0.26) USER MOD Single : B 134 THR OG1 : rot 180:sc= 0 USER MOD Single : B 137 LYS NZ :NH3+ -166:sc= -0.135 (180deg=-0.543) USER MOD Single : B 142 MET CE :methyl -160:sc= -5.12! (180deg=-6.86!) USER MOD Single : B 146 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.39) USER MOD Single : B 147 TYR OH : rot 15:sc= -0.877 USER MOD Single : B 150 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.2!) USER MOD Single : B 154 GLN : amide:sc= 0.227 K(o=0.23,f=-2.2!) USER MOD Single : B 155 GLN : amide:sc= -0.0555 X(o=-0.055,f=-0.48) USER MOD Single : B 159 LYS NZ :NH3+ 152:sc= 0.998 (180deg=0.103) USER MOD ----------------------------------------------------------------- ATOM 42 N PRO A 3 4.361 14.398 5.738 1.00 10.04 N ATOM 43 CA PRO A 3 5.617 14.839 6.356 1.00 9.38 C ATOM 44 C PRO A 3 6.827 14.287 5.615 1.00 8.65 C ATOM 45 O PRO A 3 6.694 13.750 4.505 1.00 8.77 O ATOM 46 CB PRO A 3 5.556 14.251 7.771 1.00 8.67 C ATOM 47 CG PRO A 3 4.134 13.844 7.976 1.00 9.28 C ATOM 48 CD PRO A 3 3.616 13.480 6.617 1.00 9.72 C ATOM 0 HA PRO A 3 5.722 15.924 6.341 1.00 9.38 H new ATOM 0 HB2 PRO A 3 6.226 13.397 7.870 1.00 8.67 H new ATOM 0 HB3 PRO A 3 5.864 14.986 8.514 1.00 8.67 H new ATOM 0 HG2 PRO A 3 4.064 12.999 8.661 1.00 9.28 H new ATOM 0 HG3 PRO A 3 3.553 14.657 8.412 1.00 9.28 H new ATOM 0 HD2 PRO A 3 3.812 12.436 6.374 1.00 9.72 H new ATOM 0 HD3 PRO A 3 2.539 13.628 6.540 1.00 9.72 H new ATOM 56 N VAL A 4 8.008 14.434 6.205 1.00 8.02 N ATOM 57 CA VAL A 4 9.215 13.905 5.597 1.00 7.33 C ATOM 58 C VAL A 4 9.055 12.414 5.445 1.00 6.03 C ATOM 59 O VAL A 4 8.469 11.760 6.309 1.00 5.70 O ATOM 60 CB VAL A 4 10.467 14.153 6.437 1.00 7.39 C ATOM 61 CG1 VAL A 4 11.710 13.979 5.588 1.00 7.04 C ATOM 62 CG2 VAL A 4 10.432 15.524 7.093 1.00 7.42 C ATOM 0 H VAL A 4 8.151 14.911 7.095 1.00 8.02 H new ATOM 0 HA VAL A 4 9.345 14.414 4.642 1.00 7.33 H new ATOM 0 HB VAL A 4 10.493 13.415 7.239 1.00 7.39 H new ATOM 0 HG11 VAL A 4 12.595 14.158 6.198 1.00 7.04 H new ATOM 0 HG12 VAL A 4 11.741 12.964 5.193 1.00 7.04 H new ATOM 0 HG13 VAL A 4 11.689 14.690 4.762 1.00 7.04 H new ATOM 0 HG21 VAL A 4 11.337 15.668 7.683 1.00 7.42 H new ATOM 0 HG22 VAL A 4 10.374 16.294 6.324 1.00 7.42 H new ATOM 0 HG23 VAL A 4 9.560 15.594 7.743 1.00 7.42 H new ATOM 66 N THR A 5 9.597 11.864 4.388 1.00 5.44 N ATOM 67 CA THR A 5 9.439 10.442 4.159 1.00 4.29 C ATOM 68 C THR A 5 10.683 9.842 3.537 1.00 3.80 C ATOM 69 O THR A 5 11.623 10.563 3.196 1.00 4.42 O ATOM 70 CB THR A 5 8.210 10.153 3.268 1.00 4.62 C ATOM 71 OG1 THR A 5 8.195 11.044 2.144 1.00 4.49 O ATOM 72 CG2 THR A 5 6.907 10.293 4.057 1.00 5.81 C ATOM 0 H THR A 5 10.141 12.362 3.684 1.00 5.44 H new ATOM 0 HA THR A 5 9.281 9.975 5.131 1.00 4.29 H new ATOM 0 HB THR A 5 8.287 9.125 2.915 1.00 4.62 H new ATOM 0 HG1 THR A 5 8.856 11.755 2.281 1.00 4.49 H new ATOM 0 HG21 THR A 5 6.061 10.083 3.402 1.00 5.81 H new ATOM 0 HG22 THR A 5 6.907 9.587 4.887 1.00 5.81 H new ATOM 0 HG23 THR A 5 6.823 11.308 4.444 1.00 5.81 H new ATOM 77 N LEU A 6 10.676 8.526 3.373 1.00 2.83 N ATOM 78 CA LEU A 6 11.828 7.847 2.800 1.00 2.56 C ATOM 79 C LEU A 6 11.996 8.271 1.358 1.00 3.77 C ATOM 80 O LEU A 6 13.097 8.270 0.841 1.00 4.03 O ATOM 81 CB LEU A 6 11.747 6.320 2.887 1.00 2.11 C ATOM 82 CG LEU A 6 10.409 5.722 3.289 1.00 2.71 C ATOM 83 CD1 LEU A 6 9.585 5.381 2.064 1.00 3.42 C ATOM 84 CD2 LEU A 6 10.632 4.481 4.127 1.00 3.03 C ATOM 0 H LEU A 6 9.898 7.916 3.624 1.00 2.83 H new ATOM 0 HA LEU A 6 12.694 8.142 3.393 1.00 2.56 H new ATOM 0 HB2 LEU A 6 12.023 5.910 1.915 1.00 2.11 H new ATOM 0 HB3 LEU A 6 12.498 5.981 3.601 1.00 2.11 H new ATOM 0 HG LEU A 6 9.861 6.459 3.877 1.00 2.71 H new ATOM 0 HD11 LEU A 6 8.631 4.954 2.374 1.00 3.42 H new ATOM 0 HD12 LEU A 6 9.406 6.285 1.483 1.00 3.42 H new ATOM 0 HD13 LEU A 6 10.124 4.658 1.453 1.00 3.42 H new ATOM 0 HD21 LEU A 6 9.669 4.057 4.412 1.00 3.03 H new ATOM 0 HD22 LEU A 6 11.195 3.748 3.549 1.00 3.03 H new ATOM 0 HD23 LEU A 6 11.193 4.744 5.024 1.00 3.03 H new ATOM 90 N TYR A 7 10.897 8.670 0.731 1.00 4.60 N ATOM 91 CA TYR A 7 10.923 9.125 -0.646 1.00 5.89 C ATOM 92 C TYR A 7 11.758 10.384 -0.760 1.00 6.52 C ATOM 93 O TYR A 7 12.529 10.560 -1.700 1.00 7.28 O ATOM 94 CB TYR A 7 9.504 9.445 -1.115 1.00 6.61 C ATOM 95 CG TYR A 7 8.674 8.245 -1.502 1.00 6.45 C ATOM 96 CD1 TYR A 7 8.702 7.748 -2.797 1.00 7.13 C ATOM 97 CD2 TYR A 7 7.846 7.627 -0.578 1.00 5.86 C ATOM 98 CE1 TYR A 7 7.931 6.663 -3.160 1.00 7.22 C ATOM 99 CE2 TYR A 7 7.067 6.544 -0.933 1.00 6.07 C ATOM 100 CZ TYR A 7 7.115 6.065 -2.226 1.00 6.73 C ATOM 101 OH TYR A 7 6.341 4.985 -2.585 1.00 7.14 O ATOM 0 H TYR A 7 9.972 8.686 1.161 1.00 4.60 H new ATOM 0 HA TYR A 7 11.352 8.335 -1.262 1.00 5.89 H new ATOM 0 HB2 TYR A 7 8.988 9.984 -0.321 1.00 6.61 H new ATOM 0 HB3 TYR A 7 9.563 10.118 -1.970 1.00 6.61 H new ATOM 0 HD1 TYR A 7 9.338 8.218 -3.533 1.00 7.13 H new ATOM 0 HD2 TYR A 7 7.810 7.999 0.435 1.00 5.86 H new ATOM 0 HE1 TYR A 7 7.967 6.285 -4.171 1.00 7.22 H new ATOM 0 HE2 TYR A 7 6.424 6.075 -0.203 1.00 6.07 H new ATOM 0 HH TYR A 7 5.825 4.681 -1.810 1.00 7.14 H new ATOM 111 N ASP A 8 11.605 11.240 0.234 1.00 6.38 N ATOM 112 CA ASP A 8 12.281 12.514 0.289 1.00 7.25 C ATOM 113 C ASP A 8 13.763 12.336 0.504 1.00 6.81 C ATOM 114 O ASP A 8 14.574 12.843 -0.267 1.00 7.53 O ATOM 115 CB ASP A 8 11.678 13.334 1.427 1.00 7.59 C ATOM 116 CG ASP A 8 10.262 13.782 1.138 1.00 8.67 C ATOM 117 OD1 ASP A 8 10.036 14.457 0.109 1.00 8.73 O ATOM 118 OD2 ASP A 8 9.364 13.446 1.941 1.00 9.57 O ATOM 0 H ASP A 8 10.998 11.063 1.035 1.00 6.38 H new ATOM 0 HA ASP A 8 12.148 13.032 -0.661 1.00 7.25 H new ATOM 0 HB2 ASP A 8 11.687 12.741 2.341 1.00 7.59 H new ATOM 0 HB3 ASP A 8 12.302 14.209 1.609 1.00 7.59 H new ATOM 123 N VAL A 9 14.122 11.607 1.544 1.00 5.62 N ATOM 124 CA VAL A 9 15.522 11.389 1.824 1.00 5.09 C ATOM 125 C VAL A 9 16.157 10.505 0.753 1.00 4.97 C ATOM 126 O VAL A 9 17.357 10.586 0.514 1.00 5.09 O ATOM 127 CB VAL A 9 15.787 10.875 3.270 1.00 4.01 C ATOM 128 CG1 VAL A 9 14.533 10.899 4.123 1.00 3.71 C ATOM 129 CG2 VAL A 9 16.414 9.495 3.293 1.00 4.12 C ATOM 0 H VAL A 9 13.475 11.164 2.196 1.00 5.62 H new ATOM 0 HA VAL A 9 16.014 12.361 1.781 1.00 5.09 H new ATOM 0 HB VAL A 9 16.506 11.571 3.703 1.00 4.01 H new ATOM 0 HG11 VAL A 9 14.766 10.532 5.123 1.00 3.71 H new ATOM 0 HG12 VAL A 9 14.158 11.920 4.190 1.00 3.71 H new ATOM 0 HG13 VAL A 9 13.773 10.262 3.671 1.00 3.71 H new ATOM 0 HG21 VAL A 9 16.577 9.186 4.326 1.00 4.12 H new ATOM 0 HG22 VAL A 9 15.748 8.785 2.803 1.00 4.12 H new ATOM 0 HG23 VAL A 9 17.368 9.520 2.767 1.00 4.12 H new ATOM 133 N ALA A 10 15.346 9.688 0.086 1.00 5.02 N ATOM 134 CA ALA A 10 15.841 8.843 -0.997 1.00 5.51 C ATOM 135 C ALA A 10 16.134 9.715 -2.204 1.00 6.77 C ATOM 136 O ALA A 10 17.086 9.485 -2.947 1.00 7.18 O ATOM 137 CB ALA A 10 14.838 7.761 -1.360 1.00 5.85 C ATOM 0 H ALA A 10 14.348 9.593 0.275 1.00 5.02 H new ATOM 0 HA ALA A 10 16.752 8.344 -0.666 1.00 5.51 H new ATOM 0 HB1 ALA A 10 15.238 7.150 -2.169 1.00 5.85 H new ATOM 0 HB2 ALA A 10 14.650 7.132 -0.490 1.00 5.85 H new ATOM 0 HB3 ALA A 10 13.905 8.223 -1.682 1.00 5.85 H new ATOM 143 N GLU A 11 15.307 10.737 -2.362 1.00 7.42 N ATOM 144 CA GLU A 11 15.431 11.698 -3.444 1.00 8.73 C ATOM 145 C GLU A 11 16.675 12.526 -3.211 1.00 8.83 C ATOM 146 O GLU A 11 17.452 12.814 -4.119 1.00 9.64 O ATOM 147 CB GLU A 11 14.197 12.591 -3.455 1.00 9.44 C ATOM 148 CG GLU A 11 13.460 12.589 -4.779 1.00 10.72 C ATOM 149 CD GLU A 11 13.961 13.666 -5.717 1.00 11.43 C ATOM 150 OE1 GLU A 11 13.473 14.809 -5.626 1.00 11.94 O ATOM 151 OE2 GLU A 11 14.853 13.379 -6.546 1.00 11.62 O ATOM 0 H GLU A 11 14.524 10.923 -1.736 1.00 7.42 H new ATOM 0 HA GLU A 11 15.510 11.189 -4.405 1.00 8.73 H new ATOM 0 HB2 GLU A 11 13.516 12.265 -2.669 1.00 9.44 H new ATOM 0 HB3 GLU A 11 14.495 13.612 -3.216 1.00 9.44 H new ATOM 0 HG2 GLU A 11 13.574 11.615 -5.254 1.00 10.72 H new ATOM 0 HG3 GLU A 11 12.395 12.733 -4.599 1.00 10.72 H new ATOM 158 N TYR A 12 16.833 12.878 -1.957 1.00 8.09 N ATOM 159 CA TYR A 12 17.951 13.648 -1.466 1.00 8.25 C ATOM 160 C TYR A 12 19.253 12.887 -1.648 1.00 7.64 C ATOM 161 O TYR A 12 20.199 13.344 -2.288 1.00 8.27 O ATOM 162 CB TYR A 12 17.719 13.860 0.011 1.00 7.83 C ATOM 163 CG TYR A 12 17.995 15.246 0.508 1.00 8.89 C ATOM 164 CD1 TYR A 12 17.260 16.330 0.060 1.00 9.03 C ATOM 165 CD2 TYR A 12 18.983 15.459 1.447 1.00 9.83 C ATOM 166 CE1 TYR A 12 17.509 17.598 0.541 1.00 10.12 C ATOM 167 CE2 TYR A 12 19.241 16.713 1.931 1.00 10.89 C ATOM 168 CZ TYR A 12 18.503 17.788 1.478 1.00 11.05 C ATOM 169 OH TYR A 12 18.752 19.050 1.968 1.00 12.19 O ATOM 0 H TYR A 12 16.166 12.628 -1.227 1.00 8.09 H new ATOM 0 HA TYR A 12 18.026 14.589 -2.011 1.00 8.25 H new ATOM 0 HB2 TYR A 12 16.683 13.609 0.239 1.00 7.83 H new ATOM 0 HB3 TYR A 12 18.346 13.161 0.565 1.00 7.83 H new ATOM 0 HD1 TYR A 12 16.483 16.181 -0.675 1.00 9.03 H new ATOM 0 HD2 TYR A 12 19.563 14.622 1.806 1.00 9.83 H new ATOM 0 HE1 TYR A 12 16.929 18.437 0.186 1.00 10.12 H new ATOM 0 HE2 TYR A 12 20.019 16.861 2.665 1.00 10.89 H new ATOM 0 HH TYR A 12 19.340 18.987 2.749 1.00 12.19 H new ATOM 179 N ALA A 13 19.262 11.717 -1.047 1.00 6.42 N ATOM 180 CA ALA A 13 20.401 10.830 -1.072 1.00 5.71 C ATOM 181 C ALA A 13 20.734 10.352 -2.485 1.00 6.20 C ATOM 182 O ALA A 13 21.852 9.915 -2.749 1.00 6.25 O ATOM 183 CB ALA A 13 20.156 9.660 -0.138 1.00 4.38 C ATOM 0 H ALA A 13 18.468 11.352 -0.521 1.00 6.42 H new ATOM 0 HA ALA A 13 21.271 11.388 -0.726 1.00 5.71 H new ATOM 0 HB1 ALA A 13 21.017 8.992 -0.158 1.00 4.38 H new ATOM 0 HB2 ALA A 13 20.007 10.029 0.877 1.00 4.38 H new ATOM 0 HB3 ALA A 13 19.268 9.117 -0.460 1.00 4.38 H new ATOM 189 N GLY A 14 19.777 10.442 -3.396 1.00 6.71 N ATOM 190 CA GLY A 14 20.020 9.997 -4.752 1.00 7.50 C ATOM 191 C GLY A 14 19.953 8.488 -4.848 1.00 7.12 C ATOM 192 O GLY A 14 20.755 7.851 -5.537 1.00 7.67 O ATOM 0 H GLY A 14 18.843 10.813 -3.223 1.00 6.71 H new ATOM 0 HA2 GLY A 14 19.283 10.441 -5.422 1.00 7.50 H new ATOM 0 HA3 GLY A 14 21.000 10.343 -5.082 1.00 7.50 H new ATOM 196 N VAL A 15 18.984 7.923 -4.145 1.00 6.34 N ATOM 197 CA VAL A 15 18.770 6.491 -4.106 1.00 6.29 C ATOM 198 C VAL A 15 17.278 6.204 -4.233 1.00 6.88 C ATOM 199 O VAL A 15 16.505 7.069 -4.644 1.00 7.37 O ATOM 200 CB VAL A 15 19.289 5.878 -2.785 1.00 5.09 C ATOM 201 CG1 VAL A 15 20.779 6.050 -2.674 1.00 4.93 C ATOM 202 CG2 VAL A 15 18.609 6.505 -1.579 1.00 4.07 C ATOM 0 H VAL A 15 18.320 8.453 -3.581 1.00 6.34 H new ATOM 0 HA VAL A 15 19.320 6.042 -4.933 1.00 6.29 H new ATOM 0 HB VAL A 15 19.050 4.815 -2.800 1.00 5.09 H new ATOM 0 HG11 VAL A 15 21.127 5.613 -1.738 1.00 4.93 H new ATOM 0 HG12 VAL A 15 21.266 5.550 -3.511 1.00 4.93 H new ATOM 0 HG13 VAL A 15 21.025 7.112 -2.692 1.00 4.93 H new ATOM 0 HG21 VAL A 15 18.996 6.052 -0.666 1.00 4.07 H new ATOM 0 HG22 VAL A 15 18.808 7.576 -1.565 1.00 4.07 H new ATOM 0 HG23 VAL A 15 17.534 6.337 -1.639 1.00 4.07 H new ATOM 206 N SER A 16 16.886 4.996 -3.883 1.00 7.00 N ATOM 207 CA SER A 16 15.496 4.615 -3.930 1.00 7.47 C ATOM 208 C SER A 16 14.974 4.483 -2.512 1.00 6.42 C ATOM 209 O SER A 16 15.737 4.611 -1.549 1.00 5.43 O ATOM 210 CB SER A 16 15.328 3.294 -4.678 1.00 8.50 C ATOM 211 OG SER A 16 15.864 2.212 -3.933 1.00 9.32 O ATOM 0 H SER A 16 17.516 4.261 -3.562 1.00 7.00 H new ATOM 0 HA SER A 16 14.929 5.380 -4.461 1.00 7.47 H new ATOM 0 HB2 SER A 16 14.271 3.116 -4.874 1.00 8.50 H new ATOM 0 HB3 SER A 16 15.826 3.355 -5.646 1.00 8.50 H new ATOM 0 HG SER A 16 16.638 2.521 -3.418 1.00 9.32 H new ATOM 217 N VAL A 17 13.694 4.207 -2.376 1.00 6.67 N ATOM 218 CA VAL A 17 13.099 4.049 -1.073 1.00 5.79 C ATOM 219 C VAL A 17 13.523 2.719 -0.486 1.00 5.68 C ATOM 220 O VAL A 17 13.402 2.477 0.713 1.00 4.87 O ATOM 221 CB VAL A 17 11.577 4.150 -1.162 1.00 6.31 C ATOM 222 CG1 VAL A 17 11.217 5.507 -1.720 1.00 6.98 C ATOM 223 CG2 VAL A 17 10.995 3.032 -2.020 1.00 6.68 C ATOM 0 H VAL A 17 13.047 4.088 -3.156 1.00 6.67 H new ATOM 0 HA VAL A 17 13.444 4.849 -0.418 1.00 5.79 H new ATOM 0 HB VAL A 17 11.148 4.037 -0.166 1.00 6.31 H new ATOM 0 HG11 VAL A 17 10.133 5.596 -1.790 1.00 6.98 H new ATOM 0 HG12 VAL A 17 11.603 6.285 -1.062 1.00 6.98 H new ATOM 0 HG13 VAL A 17 11.655 5.621 -2.712 1.00 6.98 H new ATOM 0 HG21 VAL A 17 9.911 3.133 -2.063 1.00 6.68 H new ATOM 0 HG22 VAL A 17 11.405 3.096 -3.028 1.00 6.68 H new ATOM 0 HG23 VAL A 17 11.253 2.067 -1.584 1.00 6.68 H new ATOM 227 N ALA A 18 14.059 1.875 -1.351 1.00 6.73 N ATOM 228 CA ALA A 18 14.533 0.583 -0.944 1.00 7.11 C ATOM 229 C ALA A 18 15.827 0.746 -0.188 1.00 6.46 C ATOM 230 O ALA A 18 16.069 0.063 0.804 1.00 6.56 O ATOM 231 CB ALA A 18 14.728 -0.322 -2.141 1.00 8.51 C ATOM 0 H ALA A 18 14.173 2.073 -2.345 1.00 6.73 H new ATOM 0 HA ALA A 18 13.790 0.119 -0.296 1.00 7.11 H new ATOM 0 HB1 ALA A 18 15.088 -1.295 -1.807 1.00 8.51 H new ATOM 0 HB2 ALA A 18 13.779 -0.445 -2.662 1.00 8.51 H new ATOM 0 HB3 ALA A 18 15.458 0.122 -2.818 1.00 8.51 H new ATOM 237 N THR A 19 16.659 1.675 -0.646 1.00 5.99 N ATOM 238 CA THR A 19 17.929 1.936 -0.002 1.00 5.37 C ATOM 239 C THR A 19 17.708 2.563 1.366 1.00 4.05 C ATOM 240 O THR A 19 18.355 2.207 2.351 1.00 3.79 O ATOM 241 CB THR A 19 18.771 2.875 -0.874 1.00 5.54 C ATOM 242 OG1 THR A 19 18.275 2.836 -2.220 1.00 6.63 O ATOM 243 CG2 THR A 19 20.233 2.468 -0.859 1.00 5.80 C ATOM 0 H THR A 19 16.471 2.257 -1.462 1.00 5.99 H new ATOM 0 HA THR A 19 18.458 0.992 0.126 1.00 5.37 H new ATOM 0 HB THR A 19 18.695 3.886 -0.474 1.00 5.54 H new ATOM 0 HG1 THR A 19 19.029 2.799 -2.845 1.00 6.63 H new ATOM 0 HG21 THR A 19 20.807 3.151 -1.485 1.00 5.80 H new ATOM 0 HG22 THR A 19 20.611 2.508 0.162 1.00 5.80 H new ATOM 0 HG23 THR A 19 20.332 1.453 -1.243 1.00 5.80 H new ATOM 248 N VAL A 20 16.783 3.503 1.401 1.00 3.48 N ATOM 249 CA VAL A 20 16.446 4.204 2.627 1.00 2.24 C ATOM 250 C VAL A 20 15.793 3.291 3.656 1.00 2.45 C ATOM 251 O VAL A 20 16.169 3.330 4.818 1.00 2.38 O ATOM 252 CB VAL A 20 15.568 5.424 2.341 1.00 2.17 C ATOM 253 CG1 VAL A 20 15.084 6.076 3.625 1.00 1.59 C ATOM 254 CG2 VAL A 20 16.372 6.403 1.520 1.00 2.79 C ATOM 0 H VAL A 20 16.246 3.802 0.586 1.00 3.48 H new ATOM 0 HA VAL A 20 17.384 4.551 3.060 1.00 2.24 H new ATOM 0 HB VAL A 20 14.681 5.108 1.791 1.00 2.17 H new ATOM 0 HG11 VAL A 20 14.463 6.939 3.383 1.00 1.59 H new ATOM 0 HG12 VAL A 20 14.499 5.358 4.200 1.00 1.59 H new ATOM 0 HG13 VAL A 20 15.942 6.400 4.214 1.00 1.59 H new ATOM 0 HG21 VAL A 20 15.765 7.282 1.304 1.00 2.79 H new ATOM 0 HG22 VAL A 20 17.259 6.703 2.078 1.00 2.79 H new ATOM 0 HG23 VAL A 20 16.674 5.932 0.585 1.00 2.79 H new ATOM 258 N SER A 21 14.835 2.461 3.250 1.00 3.29 N ATOM 259 CA SER A 21 14.202 1.546 4.181 1.00 3.89 C ATOM 260 C SER A 21 15.253 0.618 4.764 1.00 4.74 C ATOM 261 O SER A 21 15.142 0.180 5.899 1.00 5.36 O ATOM 262 CB SER A 21 13.098 0.749 3.501 1.00 4.80 C ATOM 263 OG SER A 21 11.921 1.522 3.396 1.00 5.42 O ATOM 0 H SER A 21 14.487 2.407 2.293 1.00 3.29 H new ATOM 0 HA SER A 21 13.742 2.121 4.985 1.00 3.89 H new ATOM 0 HB2 SER A 21 13.425 0.437 2.509 1.00 4.80 H new ATOM 0 HB3 SER A 21 12.894 -0.159 4.069 1.00 4.80 H new ATOM 0 HG SER A 21 11.222 0.995 2.955 1.00 5.42 H new ATOM 269 N ARG A 22 16.281 0.341 3.977 1.00 4.95 N ATOM 270 CA ARG A 22 17.389 -0.479 4.414 1.00 5.78 C ATOM 271 C ARG A 22 18.132 0.232 5.525 1.00 5.39 C ATOM 272 O ARG A 22 18.269 -0.297 6.612 1.00 6.16 O ATOM 273 CB ARG A 22 18.300 -0.713 3.229 1.00 6.11 C ATOM 274 CG ARG A 22 17.867 -1.866 2.346 1.00 6.80 C ATOM 275 CD ARG A 22 18.156 -3.214 2.995 1.00 7.67 C ATOM 276 NE ARG A 22 17.871 -4.344 2.109 1.00 8.53 N ATOM 277 CZ ARG A 22 17.226 -5.452 2.491 1.00 9.40 C ATOM 278 NH1 ARG A 22 16.737 -5.558 3.719 1.00 9.56 N ATOM 279 NH2 ARG A 22 17.066 -6.455 1.642 1.00 10.29 N ATOM 0 H ARG A 22 16.366 0.680 3.019 1.00 4.95 H new ATOM 0 HA ARG A 22 17.034 -1.436 4.796 1.00 5.78 H new ATOM 0 HB2 ARG A 22 18.342 0.196 2.629 1.00 6.11 H new ATOM 0 HB3 ARG A 22 19.310 -0.904 3.591 1.00 6.11 H new ATOM 0 HG2 ARG A 22 16.800 -1.784 2.138 1.00 6.80 H new ATOM 0 HG3 ARG A 22 18.384 -1.805 1.389 1.00 6.80 H new ATOM 0 HD2 ARG A 22 19.203 -3.250 3.296 1.00 7.67 H new ATOM 0 HD3 ARG A 22 17.560 -3.310 3.902 1.00 7.67 H new ATOM 0 HE ARG A 22 18.184 -4.283 1.140 1.00 8.53 H new ATOM 0 HH11 ARG A 22 16.851 -4.791 4.381 1.00 9.56 H new ATOM 0 HH12 ARG A 22 16.247 -6.407 4.001 1.00 9.56 H new ATOM 0 HH21 ARG A 22 17.435 -6.384 0.694 1.00 10.29 H new ATOM 0 HH22 ARG A 22 16.574 -7.299 1.936 1.00 10.29 H new ATOM 293 N VAL A 23 18.562 1.455 5.260 1.00 4.37 N ATOM 294 CA VAL A 23 19.291 2.233 6.254 1.00 4.33 C ATOM 295 C VAL A 23 18.399 2.493 7.458 1.00 4.40 C ATOM 296 O VAL A 23 18.843 2.453 8.607 1.00 5.33 O ATOM 297 CB VAL A 23 19.792 3.560 5.690 1.00 3.40 C ATOM 298 CG1 VAL A 23 20.594 4.297 6.744 1.00 3.55 C ATOM 299 CG2 VAL A 23 20.624 3.315 4.445 1.00 3.56 C ATOM 0 H VAL A 23 18.421 1.931 4.369 1.00 4.37 H new ATOM 0 HA VAL A 23 20.163 1.651 6.553 1.00 4.33 H new ATOM 0 HB VAL A 23 18.939 4.180 5.412 1.00 3.40 H new ATOM 0 HG11 VAL A 23 20.949 5.243 6.336 1.00 3.55 H new ATOM 0 HG12 VAL A 23 19.964 4.490 7.612 1.00 3.55 H new ATOM 0 HG13 VAL A 23 21.447 3.688 7.044 1.00 3.55 H new ATOM 0 HG21 VAL A 23 20.977 4.268 4.050 1.00 3.56 H new ATOM 0 HG22 VAL A 23 21.479 2.687 4.696 1.00 3.56 H new ATOM 0 HG23 VAL A 23 20.015 2.814 3.693 1.00 3.56 H new ATOM 303 N VAL A 24 17.134 2.745 7.168 1.00 3.61 N ATOM 304 CA VAL A 24 16.128 2.958 8.184 1.00 3.77 C ATOM 305 C VAL A 24 16.048 1.716 9.062 1.00 4.89 C ATOM 306 O VAL A 24 15.869 1.798 10.279 1.00 5.58 O ATOM 307 CB VAL A 24 14.758 3.246 7.518 1.00 2.64 C ATOM 308 CG1 VAL A 24 13.604 2.693 8.320 1.00 3.07 C ATOM 309 CG2 VAL A 24 14.563 4.733 7.296 1.00 2.21 C ATOM 0 H VAL A 24 16.778 2.807 6.214 1.00 3.61 H new ATOM 0 HA VAL A 24 16.394 3.818 8.799 1.00 3.77 H new ATOM 0 HB VAL A 24 14.769 2.738 6.554 1.00 2.64 H new ATOM 0 HG11 VAL A 24 12.666 2.920 7.813 1.00 3.07 H new ATOM 0 HG12 VAL A 24 13.712 1.613 8.416 1.00 3.07 H new ATOM 0 HG13 VAL A 24 13.599 3.147 9.311 1.00 3.07 H new ATOM 0 HG21 VAL A 24 13.594 4.907 6.828 1.00 2.21 H new ATOM 0 HG22 VAL A 24 14.601 5.252 8.254 1.00 2.21 H new ATOM 0 HG23 VAL A 24 15.353 5.111 6.647 1.00 2.21 H new ATOM 313 N ASN A 25 16.206 0.564 8.421 1.00 5.31 N ATOM 314 CA ASN A 25 16.184 -0.715 9.119 1.00 6.55 C ATOM 315 C ASN A 25 17.595 -1.165 9.497 1.00 7.52 C ATOM 316 O ASN A 25 17.815 -2.340 9.800 1.00 8.44 O ATOM 317 CB ASN A 25 15.526 -1.782 8.244 1.00 6.78 C ATOM 318 CG ASN A 25 14.014 -1.781 8.343 1.00 6.55 C ATOM 319 OD1 ASN A 25 13.436 -2.373 9.255 1.00 7.29 O ATOM 320 ND2 ASN A 25 13.360 -1.125 7.394 1.00 5.69 N ATOM 0 H ASN A 25 16.351 0.490 7.414 1.00 5.31 H new ATOM 0 HA ASN A 25 15.606 -0.585 10.034 1.00 6.55 H new ATOM 0 HB2 ASN A 25 15.816 -1.622 7.206 1.00 6.78 H new ATOM 0 HB3 ASN A 25 15.903 -2.763 8.533 1.00 6.78 H new ATOM 0 HD21 ASN A 25 12.340 -1.098 7.403 1.00 5.69 H new ATOM 0 HD22 ASN A 25 13.877 -0.647 6.656 1.00 5.69 H new ATOM 327 N GLN A 26 18.543 -0.224 9.475 1.00 7.38 N ATOM 328 CA GLN A 26 19.943 -0.513 9.804 1.00 8.36 C ATOM 329 C GLN A 26 20.483 -1.646 8.941 1.00 8.53 C ATOM 330 O GLN A 26 20.997 -2.652 9.434 1.00 9.33 O ATOM 331 CB GLN A 26 20.087 -0.842 11.275 1.00 9.59 C ATOM 332 CG GLN A 26 20.298 0.390 12.128 1.00 9.80 C ATOM 333 CD GLN A 26 19.057 1.234 12.286 1.00 9.62 C ATOM 334 OE1 GLN A 26 17.927 0.582 12.461 1.00 10.45 O flip ATOM 335 NE2 GLN A 26 19.119 2.465 12.282 1.00 8.63 N flip ATOM 0 H GLN A 26 18.365 0.750 9.231 1.00 7.38 H new ATOM 0 HA GLN A 26 20.532 0.379 9.593 1.00 8.36 H new ATOM 0 HB2 GLN A 26 19.194 -1.367 11.615 1.00 9.59 H new ATOM 0 HB3 GLN A 26 20.928 -1.522 11.411 1.00 9.59 H new ATOM 0 HG2 GLN A 26 20.647 0.084 13.114 1.00 9.80 H new ATOM 0 HG3 GLN A 26 21.087 0.998 11.685 1.00 9.80 H new ATOM 0 HE21 GLN A 26 20.016 2.930 12.143 1.00 8.63 H new ATOM 0 HE22 GLN A 26 18.273 3.019 12.418 1.00 8.63 H new ATOM 342 N ALA A 27 20.344 -1.446 7.647 1.00 7.90 N ATOM 343 CA ALA A 27 20.758 -2.404 6.630 1.00 8.11 C ATOM 344 C ALA A 27 22.197 -2.859 6.771 1.00 8.82 C ATOM 345 O ALA A 27 23.085 -2.079 7.118 1.00 9.01 O ATOM 346 CB ALA A 27 20.598 -1.811 5.255 1.00 7.97 C ATOM 0 H ALA A 27 19.932 -0.597 7.260 1.00 7.90 H new ATOM 0 HA ALA A 27 20.113 -3.271 6.771 1.00 8.11 H new ATOM 0 HB1 ALA A 27 20.911 -2.539 4.506 1.00 7.97 H new ATOM 0 HB2 ALA A 27 19.553 -1.549 5.091 1.00 7.97 H new ATOM 0 HB3 ALA A 27 21.214 -0.916 5.171 1.00 7.97 H new ATOM 352 N SER A 28 22.421 -4.120 6.470 1.00 9.39 N ATOM 353 CA SER A 28 23.745 -4.682 6.494 1.00 10.23 C ATOM 354 C SER A 28 24.319 -4.644 5.082 1.00 10.33 C ATOM 355 O SER A 28 25.522 -4.472 4.884 1.00 11.17 O ATOM 356 CB SER A 28 23.700 -6.108 7.025 1.00 11.03 C ATOM 357 OG SER A 28 22.754 -6.222 8.076 1.00 11.40 O ATOM 0 H SER A 28 21.690 -4.779 6.203 1.00 9.39 H new ATOM 0 HA SER A 28 24.385 -4.100 7.157 1.00 10.23 H new ATOM 0 HB2 SER A 28 23.440 -6.794 6.219 1.00 11.03 H new ATOM 0 HB3 SER A 28 24.687 -6.399 7.384 1.00 11.03 H new ATOM 0 HG SER A 28 22.738 -7.146 8.403 1.00 11.40 H new ATOM 363 N HIS A 29 23.426 -4.795 4.103 1.00 9.57 N ATOM 364 CA HIS A 29 23.812 -4.773 2.695 1.00 9.82 C ATOM 365 C HIS A 29 24.135 -3.368 2.217 1.00 8.86 C ATOM 366 O HIS A 29 24.940 -3.197 1.310 1.00 8.91 O ATOM 367 CB HIS A 29 22.727 -5.400 1.809 1.00 10.11 C ATOM 368 CG HIS A 29 22.839 -6.891 1.692 1.00 11.30 C ATOM 369 ND1 HIS A 29 22.232 -7.621 0.691 1.00 12.35 N ATOM 370 CD2 HIS A 29 23.520 -7.787 2.443 1.00 11.68 C ATOM 371 CE1 HIS A 29 22.542 -8.897 0.833 1.00 13.27 C ATOM 372 NE2 HIS A 29 23.322 -9.024 1.887 1.00 12.89 N ATOM 0 H HIS A 29 22.428 -4.934 4.262 1.00 9.57 H new ATOM 0 HA HIS A 29 24.718 -5.372 2.609 1.00 9.82 H new ATOM 0 HB2 HIS A 29 21.747 -5.148 2.214 1.00 10.11 H new ATOM 0 HB3 HIS A 29 22.783 -4.960 0.813 1.00 10.11 H new ATOM 0 HD2 HIS A 29 24.111 -7.568 3.320 1.00 11.68 H new ATOM 0 HE1 HIS A 29 22.211 -9.701 0.192 1.00 13.27 H new ATOM 0 HE2 HIS A 29 23.714 -9.900 2.233 1.00 12.89 H new ATOM 381 N VAL A 30 23.535 -2.371 2.839 1.00 8.15 N ATOM 382 CA VAL A 30 23.789 -0.990 2.466 1.00 7.28 C ATOM 383 C VAL A 30 25.217 -0.658 2.828 1.00 7.71 C ATOM 384 O VAL A 30 25.664 -0.942 3.946 1.00 8.18 O ATOM 385 CB VAL A 30 22.809 0.010 3.145 1.00 6.03 C ATOM 386 CG1 VAL A 30 23.522 1.267 3.653 1.00 5.53 C ATOM 387 CG2 VAL A 30 21.710 0.405 2.173 1.00 5.47 C ATOM 0 H VAL A 30 22.870 -2.490 3.603 1.00 8.15 H new ATOM 0 HA VAL A 30 23.627 -0.889 1.393 1.00 7.28 H new ATOM 0 HB VAL A 30 22.378 -0.498 4.008 1.00 6.03 H new ATOM 0 HG11 VAL A 30 22.796 1.934 4.119 1.00 5.53 H new ATOM 0 HG12 VAL A 30 24.278 0.985 4.386 1.00 5.53 H new ATOM 0 HG13 VAL A 30 23.999 1.778 2.817 1.00 5.53 H new ATOM 0 HG21 VAL A 30 21.030 1.105 2.658 1.00 5.47 H new ATOM 0 HG22 VAL A 30 22.152 0.878 1.296 1.00 5.47 H new ATOM 0 HG23 VAL A 30 21.158 -0.484 1.867 1.00 5.47 H new ATOM 391 N SER A 31 25.941 -0.114 1.881 1.00 7.70 N ATOM 392 CA SER A 31 27.312 0.230 2.114 1.00 8.11 C ATOM 393 C SER A 31 27.407 1.370 3.124 1.00 7.34 C ATOM 394 O SER A 31 26.499 2.198 3.217 1.00 7.15 O ATOM 395 CB SER A 31 27.973 0.609 0.794 1.00 8.37 C ATOM 396 OG SER A 31 27.356 -0.075 -0.288 1.00 9.26 O ATOM 0 H SER A 31 25.599 0.098 0.944 1.00 7.70 H new ATOM 0 HA SER A 31 27.837 -0.630 2.531 1.00 8.11 H new ATOM 0 HB2 SER A 31 27.900 1.686 0.640 1.00 8.37 H new ATOM 0 HB3 SER A 31 29.034 0.364 0.829 1.00 8.37 H new ATOM 0 HG SER A 31 27.791 0.181 -1.128 1.00 9.26 H new ATOM 402 N ALA A 32 28.502 1.397 3.873 1.00 7.04 N ATOM 403 CA ALA A 32 28.725 2.422 4.888 1.00 6.69 C ATOM 404 C ALA A 32 28.484 3.821 4.336 1.00 5.51 C ATOM 405 O ALA A 32 27.827 4.640 4.978 1.00 5.18 O ATOM 406 CB ALA A 32 30.135 2.312 5.444 1.00 7.54 C ATOM 0 H ALA A 32 29.256 0.715 3.796 1.00 7.04 H new ATOM 0 HA ALA A 32 28.008 2.255 5.692 1.00 6.69 H new ATOM 0 HB1 ALA A 32 30.289 3.082 6.200 1.00 7.54 H new ATOM 0 HB2 ALA A 32 30.273 1.329 5.894 1.00 7.54 H new ATOM 0 HB3 ALA A 32 30.856 2.446 4.637 1.00 7.54 H new ATOM 412 N LYS A 33 28.996 4.081 3.138 1.00 5.14 N ATOM 413 CA LYS A 33 28.828 5.380 2.510 1.00 4.27 C ATOM 414 C LYS A 33 27.359 5.710 2.299 1.00 3.52 C ATOM 415 O LYS A 33 26.918 6.822 2.580 1.00 3.09 O ATOM 416 CB LYS A 33 29.566 5.436 1.185 1.00 4.58 C ATOM 417 CG LYS A 33 30.737 6.401 1.196 1.00 4.41 C ATOM 418 CD LYS A 33 30.279 7.854 1.232 1.00 4.64 C ATOM 419 CE LYS A 33 31.299 8.743 1.928 1.00 5.36 C ATOM 420 NZ LYS A 33 31.654 8.240 3.284 1.00 6.12 N ATOM 0 H LYS A 33 29.529 3.409 2.586 1.00 5.14 H new ATOM 0 HA LYS A 33 29.252 6.125 3.184 1.00 4.27 H new ATOM 0 HB2 LYS A 33 29.927 4.439 0.935 1.00 4.58 H new ATOM 0 HB3 LYS A 33 28.869 5.729 0.400 1.00 4.58 H new ATOM 0 HG2 LYS A 33 31.366 6.198 2.063 1.00 4.41 H new ATOM 0 HG3 LYS A 33 31.351 6.236 0.311 1.00 4.41 H new ATOM 0 HD2 LYS A 33 30.118 8.211 0.215 1.00 4.64 H new ATOM 0 HD3 LYS A 33 29.322 7.922 1.749 1.00 4.64 H new ATOM 0 HE2 LYS A 33 32.200 8.805 1.318 1.00 5.36 H new ATOM 0 HE3 LYS A 33 30.900 9.754 2.011 1.00 5.36 H new ATOM 0 HZ1 LYS A 33 31.970 9.034 3.877 1.00 6.12 H new ATOM 0 HZ2 LYS A 33 30.821 7.794 3.718 1.00 6.12 H new ATOM 0 HZ3 LYS A 33 32.419 7.540 3.205 1.00 6.12 H new ATOM 434 N THR A 34 26.608 4.738 1.809 1.00 3.69 N ATOM 435 CA THR A 34 25.181 4.913 1.570 1.00 3.13 C ATOM 436 C THR A 34 24.436 5.137 2.869 1.00 2.69 C ATOM 437 O THR A 34 23.523 5.955 2.938 1.00 2.13 O ATOM 438 CB THR A 34 24.586 3.711 0.857 1.00 3.87 C ATOM 439 OG1 THR A 34 25.352 3.407 -0.317 1.00 4.66 O ATOM 440 CG2 THR A 34 23.135 3.974 0.489 1.00 3.46 C ATOM 0 H THR A 34 26.964 3.813 1.567 1.00 3.69 H new ATOM 0 HA THR A 34 25.071 5.792 0.934 1.00 3.13 H new ATOM 0 HB THR A 34 24.619 2.854 1.530 1.00 3.87 H new ATOM 0 HG1 THR A 34 24.963 2.630 -0.770 1.00 4.66 H new ATOM 0 HG21 THR A 34 22.725 3.102 -0.021 1.00 3.46 H new ATOM 0 HG22 THR A 34 22.560 4.169 1.394 1.00 3.46 H new ATOM 0 HG23 THR A 34 23.078 4.840 -0.170 1.00 3.46 H new ATOM 445 N ARG A 35 24.804 4.381 3.881 1.00 3.41 N ATOM 446 CA ARG A 35 24.206 4.533 5.195 1.00 3.80 C ATOM 447 C ARG A 35 24.294 5.993 5.616 1.00 3.65 C ATOM 448 O ARG A 35 23.322 6.585 6.060 1.00 3.56 O ATOM 449 CB ARG A 35 24.920 3.623 6.204 1.00 5.03 C ATOM 450 CG ARG A 35 24.503 3.835 7.651 1.00 5.76 C ATOM 451 CD ARG A 35 25.307 4.927 8.312 1.00 6.34 C ATOM 452 NE ARG A 35 24.899 5.148 9.697 1.00 7.34 N ATOM 453 CZ ARG A 35 25.704 5.019 10.747 1.00 8.26 C ATOM 454 NH1 ARG A 35 26.975 4.667 10.586 1.00 8.43 N ATOM 455 NH2 ARG A 35 25.234 5.244 11.966 1.00 9.19 N ATOM 0 H ARG A 35 25.516 3.653 3.821 1.00 3.41 H new ATOM 0 HA ARG A 35 23.157 4.239 5.163 1.00 3.80 H new ATOM 0 HB2 ARG A 35 24.732 2.584 5.934 1.00 5.03 H new ATOM 0 HB3 ARG A 35 25.995 3.784 6.122 1.00 5.03 H new ATOM 0 HG2 ARG A 35 23.444 4.089 7.690 1.00 5.76 H new ATOM 0 HG3 ARG A 35 24.629 2.905 8.205 1.00 5.76 H new ATOM 0 HD2 ARG A 35 26.365 4.666 8.283 1.00 6.34 H new ATOM 0 HD3 ARG A 35 25.192 5.853 7.749 1.00 6.34 H new ATOM 0 HE ARG A 35 23.931 5.420 9.870 1.00 7.34 H new ATOM 0 HH11 ARG A 35 27.341 4.493 9.650 1.00 8.43 H new ATOM 0 HH12 ARG A 35 27.584 4.571 11.398 1.00 8.43 H new ATOM 0 HH21 ARG A 35 24.259 5.515 12.095 1.00 9.19 H new ATOM 0 HH22 ARG A 35 25.847 5.146 12.775 1.00 9.19 H new ATOM 469 N GLU A 36 25.459 6.567 5.405 1.00 3.88 N ATOM 470 CA GLU A 36 25.701 7.959 5.742 1.00 4.33 C ATOM 471 C GLU A 36 24.925 8.867 4.794 1.00 3.97 C ATOM 472 O GLU A 36 24.388 9.901 5.191 1.00 4.78 O ATOM 473 CB GLU A 36 27.186 8.268 5.647 1.00 4.67 C ATOM 474 CG GLU A 36 28.050 7.462 6.577 1.00 4.99 C ATOM 475 CD GLU A 36 29.525 7.626 6.275 1.00 5.54 C ATOM 476 OE1 GLU A 36 29.959 7.276 5.156 1.00 5.95 O ATOM 477 OE2 GLU A 36 30.264 8.120 7.156 1.00 5.83 O ATOM 0 H GLU A 36 26.262 6.088 4.998 1.00 3.88 H new ATOM 0 HA GLU A 36 25.365 8.137 6.763 1.00 4.33 H new ATOM 0 HB2 GLU A 36 27.516 8.094 4.623 1.00 4.67 H new ATOM 0 HB3 GLU A 36 27.338 9.327 5.856 1.00 4.67 H new ATOM 0 HG2 GLU A 36 27.856 7.766 7.606 1.00 4.99 H new ATOM 0 HG3 GLU A 36 27.780 6.409 6.500 1.00 4.99 H new ATOM 484 N LYS A 37 24.872 8.433 3.543 1.00 3.11 N ATOM 485 CA LYS A 37 24.202 9.138 2.454 1.00 3.31 C ATOM 486 C LYS A 37 22.740 9.452 2.768 1.00 3.41 C ATOM 487 O LYS A 37 22.282 10.589 2.654 1.00 4.34 O ATOM 488 CB LYS A 37 24.255 8.248 1.211 1.00 2.99 C ATOM 489 CG LYS A 37 23.628 8.872 -0.008 1.00 3.65 C ATOM 490 CD LYS A 37 23.150 7.810 -0.985 1.00 3.97 C ATOM 491 CE LYS A 37 24.304 7.089 -1.663 1.00 5.00 C ATOM 492 NZ LYS A 37 25.367 8.023 -2.119 1.00 5.78 N ATOM 0 H LYS A 37 25.305 7.558 3.247 1.00 3.11 H new ATOM 0 HA LYS A 37 24.714 10.088 2.301 1.00 3.31 H new ATOM 0 HB2 LYS A 37 25.295 8.008 0.991 1.00 2.99 H new ATOM 0 HB3 LYS A 37 23.750 7.307 1.427 1.00 2.99 H new ATOM 0 HG2 LYS A 37 22.788 9.498 0.292 1.00 3.65 H new ATOM 0 HG3 LYS A 37 24.351 9.523 -0.499 1.00 3.65 H new ATOM 0 HD2 LYS A 37 22.532 7.085 -0.456 1.00 3.97 H new ATOM 0 HD3 LYS A 37 22.519 8.274 -1.743 1.00 3.97 H new ATOM 0 HE2 LYS A 37 24.733 6.365 -0.971 1.00 5.00 H new ATOM 0 HE3 LYS A 37 23.926 6.528 -2.518 1.00 5.00 H new ATOM 0 HZ1 LYS A 37 25.976 7.544 -2.812 1.00 5.78 H new ATOM 0 HZ2 LYS A 37 24.930 8.857 -2.560 1.00 5.78 H new ATOM 0 HZ3 LYS A 37 25.939 8.322 -1.304 1.00 5.78 H new ATOM 506 N VAL A 38 22.033 8.426 3.180 1.00 2.59 N ATOM 507 CA VAL A 38 20.630 8.565 3.470 1.00 2.60 C ATOM 508 C VAL A 38 20.382 9.117 4.874 1.00 3.45 C ATOM 509 O VAL A 38 19.412 9.839 5.079 1.00 4.01 O ATOM 510 CB VAL A 38 19.832 7.275 3.228 1.00 1.59 C ATOM 511 CG1 VAL A 38 20.580 6.341 2.311 1.00 1.78 C ATOM 512 CG2 VAL A 38 19.462 6.592 4.522 1.00 1.68 C ATOM 0 H VAL A 38 22.408 7.488 3.321 1.00 2.59 H new ATOM 0 HA VAL A 38 20.256 9.299 2.756 1.00 2.60 H new ATOM 0 HB VAL A 38 18.901 7.556 2.736 1.00 1.59 H new ATOM 0 HG11 VAL A 38 19.993 5.436 2.156 1.00 1.78 H new ATOM 0 HG12 VAL A 38 20.750 6.831 1.353 1.00 1.78 H new ATOM 0 HG13 VAL A 38 21.538 6.080 2.760 1.00 1.78 H new ATOM 0 HG21 VAL A 38 18.899 5.684 4.306 1.00 1.68 H new ATOM 0 HG22 VAL A 38 20.369 6.335 5.070 1.00 1.68 H new ATOM 0 HG23 VAL A 38 18.851 7.263 5.126 1.00 1.68 H new ATOM 516 N GLU A 39 21.247 8.794 5.840 1.00 3.88 N ATOM 517 CA GLU A 39 21.095 9.303 7.178 1.00 5.08 C ATOM 518 C GLU A 39 21.240 10.805 7.156 1.00 6.00 C ATOM 519 O GLU A 39 20.521 11.524 7.846 1.00 6.91 O ATOM 520 CB GLU A 39 22.145 8.678 8.077 1.00 5.69 C ATOM 521 CG GLU A 39 21.824 7.247 8.454 1.00 5.68 C ATOM 522 CD GLU A 39 21.871 7.004 9.948 1.00 6.80 C ATOM 523 OE1 GLU A 39 21.330 7.835 10.709 1.00 7.26 O ATOM 524 OE2 GLU A 39 22.461 5.985 10.370 1.00 7.39 O ATOM 0 H GLU A 39 22.053 8.183 5.707 1.00 3.88 H new ATOM 0 HA GLU A 39 20.108 9.049 7.566 1.00 5.08 H new ATOM 0 HB2 GLU A 39 23.111 8.707 7.573 1.00 5.69 H new ATOM 0 HB3 GLU A 39 22.240 9.274 8.984 1.00 5.69 H new ATOM 0 HG2 GLU A 39 20.832 6.993 8.081 1.00 5.68 H new ATOM 0 HG3 GLU A 39 22.531 6.580 7.961 1.00 5.68 H new ATOM 531 N ALA A 40 22.178 11.268 6.347 1.00 5.87 N ATOM 532 CA ALA A 40 22.407 12.691 6.194 1.00 6.87 C ATOM 533 C ALA A 40 21.167 13.344 5.612 1.00 7.09 C ATOM 534 O ALA A 40 20.752 14.422 6.032 1.00 8.16 O ATOM 535 CB ALA A 40 23.622 12.957 5.316 1.00 6.81 C ATOM 0 H ALA A 40 22.792 10.677 5.787 1.00 5.87 H new ATOM 0 HA ALA A 40 22.610 13.123 7.174 1.00 6.87 H new ATOM 0 HB1 ALA A 40 23.771 14.032 5.218 1.00 6.81 H new ATOM 0 HB2 ALA A 40 24.505 12.508 5.771 1.00 6.81 H new ATOM 0 HB3 ALA A 40 23.461 12.521 4.330 1.00 6.81 H new ATOM 541 N ALA A 41 20.573 12.659 4.646 1.00 6.17 N ATOM 542 CA ALA A 41 19.370 13.125 4.008 1.00 6.47 C ATOM 543 C ALA A 41 18.261 13.186 5.033 1.00 6.62 C ATOM 544 O ALA A 41 17.569 14.193 5.157 1.00 7.57 O ATOM 545 CB ALA A 41 18.996 12.209 2.859 1.00 5.68 C ATOM 0 H ALA A 41 20.917 11.768 4.289 1.00 6.17 H new ATOM 0 HA ALA A 41 19.532 14.122 3.599 1.00 6.47 H new ATOM 0 HB1 ALA A 41 18.084 12.573 2.385 1.00 5.68 H new ATOM 0 HB2 ALA A 41 19.804 12.194 2.128 1.00 5.68 H new ATOM 0 HB3 ALA A 41 18.830 11.200 3.237 1.00 5.68 H new ATOM 551 N MET A 42 18.145 12.110 5.804 1.00 5.83 N ATOM 552 CA MET A 42 17.144 12.005 6.840 1.00 6.11 C ATOM 553 C MET A 42 17.254 13.175 7.795 1.00 7.48 C ATOM 554 O MET A 42 16.269 13.775 8.201 1.00 8.06 O ATOM 555 CB MET A 42 17.360 10.735 7.661 1.00 5.37 C ATOM 556 CG MET A 42 17.015 9.430 6.974 1.00 5.60 C ATOM 557 SD MET A 42 16.946 8.069 8.157 1.00 6.10 S ATOM 558 CE MET A 42 17.256 6.658 7.107 1.00 6.80 C ATOM 0 H MET A 42 18.746 11.290 5.722 1.00 5.83 H new ATOM 0 HA MET A 42 16.168 11.990 6.355 1.00 6.11 H new ATOM 0 HB2 MET A 42 18.406 10.697 7.965 1.00 5.37 H new ATOM 0 HB3 MET A 42 16.766 10.810 8.572 1.00 5.37 H new ATOM 0 HG2 MET A 42 16.054 9.525 6.468 1.00 5.60 H new ATOM 0 HG3 MET A 42 17.758 9.212 6.207 1.00 5.60 H new ATOM 0 HE1 MET A 42 16.869 5.757 7.584 1.00 6.80 H new ATOM 0 HE2 MET A 42 16.759 6.802 6.148 1.00 6.80 H new ATOM 0 HE3 MET A 42 18.329 6.552 6.947 1.00 6.80 H new ATOM 568 N ALA A 43 18.485 13.484 8.109 1.00 8.03 N ATOM 569 CA ALA A 43 18.834 14.534 9.056 1.00 9.31 C ATOM 570 C ALA A 43 18.388 15.927 8.634 1.00 10.25 C ATOM 571 O ALA A 43 17.735 16.631 9.407 1.00 11.28 O ATOM 572 CB ALA A 43 20.334 14.519 9.288 1.00 9.57 C ATOM 0 H ALA A 43 19.295 13.009 7.711 1.00 8.03 H new ATOM 0 HA ALA A 43 18.293 14.315 9.976 1.00 9.31 H new ATOM 0 HB1 ALA A 43 20.600 15.303 9.996 1.00 9.57 H new ATOM 0 HB2 ALA A 43 20.630 13.550 9.691 1.00 9.57 H new ATOM 0 HB3 ALA A 43 20.850 14.692 8.344 1.00 9.57 H new ATOM 578 N GLU A 44 18.725 16.316 7.418 1.00 9.94 N ATOM 579 CA GLU A 44 18.397 17.641 6.914 1.00 10.91 C ATOM 580 C GLU A 44 16.906 17.895 6.946 1.00 11.00 C ATOM 581 O GLU A 44 16.434 18.916 7.448 1.00 11.96 O ATOM 582 CB GLU A 44 18.907 17.787 5.496 1.00 10.69 C ATOM 583 CG GLU A 44 20.361 17.395 5.355 1.00 10.14 C ATOM 584 CD GLU A 44 21.091 18.109 4.233 1.00 10.80 C ATOM 585 OE1 GLU A 44 20.692 19.236 3.868 1.00 10.65 O ATOM 586 OE2 GLU A 44 22.076 17.546 3.712 1.00 11.61 O ATOM 0 H GLU A 44 19.230 15.729 6.754 1.00 9.94 H new ATOM 0 HA GLU A 44 18.878 18.375 7.560 1.00 10.91 H new ATOM 0 HB2 GLU A 44 18.302 17.170 4.832 1.00 10.69 H new ATOM 0 HB3 GLU A 44 18.781 18.821 5.173 1.00 10.69 H new ATOM 0 HG2 GLU A 44 20.874 17.599 6.295 1.00 10.14 H new ATOM 0 HG3 GLU A 44 20.421 16.320 5.186 1.00 10.14 H new ATOM 593 N LEU A 45 16.181 16.938 6.424 1.00 10.01 N ATOM 594 CA LEU A 45 14.738 17.003 6.339 1.00 9.84 C ATOM 595 C LEU A 45 14.061 16.729 7.682 1.00 9.73 C ATOM 596 O LEU A 45 12.923 17.144 7.899 1.00 9.79 O ATOM 597 CB LEU A 45 14.271 15.961 5.331 1.00 8.74 C ATOM 598 CG LEU A 45 15.165 15.787 4.101 1.00 8.44 C ATOM 599 CD1 LEU A 45 15.092 14.364 3.574 1.00 7.77 C ATOM 600 CD2 LEU A 45 14.764 16.761 3.025 1.00 8.82 C ATOM 0 H LEU A 45 16.578 16.080 6.041 1.00 10.01 H new ATOM 0 HA LEU A 45 14.463 18.012 6.033 1.00 9.84 H new ATOM 0 HB2 LEU A 45 14.191 15.000 5.839 1.00 8.74 H new ATOM 0 HB3 LEU A 45 13.269 16.229 4.995 1.00 8.74 H new ATOM 0 HG LEU A 45 16.195 15.989 4.396 1.00 8.44 H new ATOM 0 HD11 LEU A 45 15.736 14.266 2.700 1.00 7.77 H new ATOM 0 HD12 LEU A 45 15.423 13.672 4.348 1.00 7.77 H new ATOM 0 HD13 LEU A 45 14.064 14.132 3.295 1.00 7.77 H new ATOM 0 HD21 LEU A 45 15.407 16.627 2.155 1.00 8.82 H new ATOM 0 HD22 LEU A 45 13.727 16.582 2.740 1.00 8.82 H new ATOM 0 HD23 LEU A 45 14.867 17.779 3.399 1.00 8.82 H new ATOM 606 N ASN A 46 14.771 16.024 8.559 1.00 9.67 N ATOM 607 CA ASN A 46 14.263 15.625 9.871 1.00 9.86 C ATOM 608 C ASN A 46 13.273 14.488 9.658 1.00 8.96 C ATOM 609 O ASN A 46 12.078 14.587 9.934 1.00 9.31 O ATOM 610 CB ASN A 46 13.648 16.805 10.620 1.00 11.24 C ATOM 611 CG ASN A 46 13.130 16.452 11.995 1.00 11.76 C ATOM 612 OD1 ASN A 46 11.948 16.164 12.186 1.00 11.96 O ATOM 613 ND2 ASN A 46 14.008 16.489 12.965 1.00 12.13 N ATOM 0 H ASN A 46 15.724 15.710 8.378 1.00 9.67 H new ATOM 0 HA ASN A 46 15.080 15.279 10.504 1.00 9.86 H new ATOM 0 HB2 ASN A 46 14.396 17.592 10.715 1.00 11.24 H new ATOM 0 HB3 ASN A 46 12.829 17.213 10.027 1.00 11.24 H new ATOM 0 HD21 ASN A 46 13.722 16.275 13.920 1.00 12.13 H new ATOM 0 HD22 ASN A 46 14.978 16.732 12.766 1.00 12.13 H new ATOM 620 N TYR A 47 13.806 13.417 9.093 1.00 7.78 N ATOM 621 CA TYR A 47 13.038 12.233 8.766 1.00 6.85 C ATOM 622 C TYR A 47 12.680 11.403 9.981 1.00 7.42 C ATOM 623 O TYR A 47 13.505 11.157 10.860 1.00 8.24 O ATOM 624 CB TYR A 47 13.812 11.343 7.796 1.00 5.81 C ATOM 625 CG TYR A 47 13.108 10.028 7.519 1.00 4.75 C ATOM 626 CD1 TYR A 47 11.898 9.988 6.840 1.00 4.23 C ATOM 627 CD2 TYR A 47 13.646 8.826 7.962 1.00 4.55 C ATOM 628 CE1 TYR A 47 11.248 8.789 6.614 1.00 3.38 C ATOM 629 CE2 TYR A 47 13.003 7.629 7.735 1.00 3.81 C ATOM 630 CZ TYR A 47 11.806 7.616 7.063 1.00 3.10 C ATOM 631 OH TYR A 47 11.162 6.422 6.837 1.00 2.58 O ATOM 0 H TYR A 47 14.793 13.347 8.847 1.00 7.78 H new ATOM 0 HA TYR A 47 12.115 12.595 8.313 1.00 6.85 H new ATOM 0 HB2 TYR A 47 13.958 11.877 6.857 1.00 5.81 H new ATOM 0 HB3 TYR A 47 14.802 11.141 8.205 1.00 5.81 H new ATOM 0 HD1 TYR A 47 11.458 10.907 6.483 1.00 4.23 H new ATOM 0 HD2 TYR A 47 14.586 8.830 8.494 1.00 4.55 H new ATOM 0 HE1 TYR A 47 10.306 8.774 6.087 1.00 3.38 H new ATOM 0 HE2 TYR A 47 13.439 6.705 8.084 1.00 3.81 H new ATOM 0 HH TYR A 47 10.468 6.548 6.157 1.00 2.58 H new ATOM 641 N ILE A 48 11.438 10.972 9.993 1.00 7.07 N ATOM 642 CA ILE A 48 10.906 10.105 11.019 1.00 7.67 C ATOM 643 C ILE A 48 9.884 9.208 10.337 1.00 6.96 C ATOM 644 O ILE A 48 8.965 9.704 9.684 1.00 6.70 O ATOM 645 CB ILE A 48 10.265 10.889 12.190 1.00 8.58 C ATOM 646 CG1 ILE A 48 11.360 11.624 12.978 1.00 8.92 C ATOM 647 CG2 ILE A 48 9.479 9.953 13.104 1.00 9.60 C ATOM 648 CD1 ILE A 48 10.890 12.234 14.275 1.00 10.05 C ATOM 0 H ILE A 48 10.757 11.220 9.275 1.00 7.07 H new ATOM 0 HA ILE A 48 11.711 9.525 11.470 1.00 7.67 H new ATOM 0 HB ILE A 48 9.567 11.621 11.784 1.00 8.58 H new ATOM 0 HG12 ILE A 48 12.169 10.925 13.191 1.00 8.92 H new ATOM 0 HG13 ILE A 48 11.776 12.411 12.350 1.00 8.92 H new ATOM 0 HG21 ILE A 48 9.038 10.526 13.919 1.00 9.60 H new ATOM 0 HG22 ILE A 48 8.688 9.466 12.533 1.00 9.60 H new ATOM 0 HG23 ILE A 48 10.149 9.197 13.513 1.00 9.60 H new ATOM 0 HD11 ILE A 48 11.725 12.733 14.766 1.00 10.05 H new ATOM 0 HD12 ILE A 48 10.103 12.960 14.071 1.00 10.05 H new ATOM 0 HD13 ILE A 48 10.501 11.451 14.926 1.00 10.05 H new ATOM 652 N PRO A 49 10.042 7.886 10.444 1.00 6.87 N ATOM 653 CA PRO A 49 9.150 6.942 9.784 1.00 6.51 C ATOM 654 C PRO A 49 7.851 6.750 10.538 1.00 5.27 C ATOM 655 O PRO A 49 7.720 7.180 11.689 1.00 5.24 O ATOM 656 CB PRO A 49 9.966 5.655 9.764 1.00 6.99 C ATOM 657 CG PRO A 49 10.850 5.739 10.962 1.00 7.01 C ATOM 658 CD PRO A 49 11.062 7.205 11.260 1.00 7.36 C ATOM 0 HA PRO A 49 8.844 7.283 8.795 1.00 6.51 H new ATOM 0 HB2 PRO A 49 9.321 4.778 9.811 1.00 6.99 H new ATOM 0 HB3 PRO A 49 10.550 5.572 8.848 1.00 6.99 H new ATOM 0 HG2 PRO A 49 10.392 5.236 11.814 1.00 7.01 H new ATOM 0 HG3 PRO A 49 11.802 5.243 10.773 1.00 7.01 H new ATOM 0 HD2 PRO A 49 10.933 7.419 12.321 1.00 7.36 H new ATOM 0 HD3 PRO A 49 12.068 7.526 10.990 1.00 7.36 H new ATOM 666 N ASN A 50 6.896 6.084 9.911 1.00 4.55 N ATOM 667 CA ASN A 50 5.612 5.841 10.522 1.00 3.45 C ATOM 668 C ASN A 50 5.598 4.414 11.021 1.00 3.10 C ATOM 669 O ASN A 50 5.795 3.481 10.243 1.00 2.62 O ATOM 670 CB ASN A 50 4.498 6.064 9.502 1.00 3.29 C ATOM 671 CG ASN A 50 3.883 7.437 9.594 1.00 3.62 C ATOM 672 OD1 ASN A 50 3.490 7.890 10.669 1.00 4.20 O ATOM 673 ND2 ASN A 50 3.802 8.113 8.467 1.00 3.84 N ATOM 0 H ASN A 50 6.993 5.701 8.971 1.00 4.55 H new ATOM 0 HA ASN A 50 5.447 6.527 11.353 1.00 3.45 H new ATOM 0 HB2 ASN A 50 4.897 5.917 8.498 1.00 3.29 H new ATOM 0 HB3 ASN A 50 3.722 5.313 9.650 1.00 3.29 H new ATOM 0 HD21 ASN A 50 3.401 9.051 8.463 1.00 3.84 H new ATOM 0 HD22 ASN A 50 4.140 7.699 7.598 1.00 3.84 H new ATOM 680 N ARG A 51 5.343 4.245 12.301 1.00 3.89 N ATOM 681 CA ARG A 51 5.371 2.926 12.920 1.00 4.34 C ATOM 682 C ARG A 51 4.365 1.953 12.300 1.00 3.81 C ATOM 683 O ARG A 51 4.582 0.746 12.341 1.00 4.28 O ATOM 684 CB ARG A 51 5.137 3.041 14.423 1.00 5.51 C ATOM 685 CG ARG A 51 5.815 1.943 15.235 1.00 6.26 C ATOM 686 CD ARG A 51 7.324 2.033 15.164 1.00 6.58 C ATOM 687 NE ARG A 51 7.964 0.746 15.447 1.00 7.49 N ATOM 688 CZ ARG A 51 9.134 0.357 14.940 1.00 8.15 C ATOM 689 NH1 ARG A 51 9.810 1.142 14.110 1.00 8.03 N ATOM 690 NH2 ARG A 51 9.627 -0.829 15.264 1.00 9.09 N ATOM 0 H ARG A 51 5.112 5.005 12.941 1.00 3.89 H new ATOM 0 HA ARG A 51 6.363 2.514 12.734 1.00 4.34 H new ATOM 0 HB2 ARG A 51 5.500 4.010 14.765 1.00 5.51 H new ATOM 0 HB3 ARG A 51 4.065 3.015 14.618 1.00 5.51 H new ATOM 0 HG2 ARG A 51 5.497 2.013 16.275 1.00 6.26 H new ATOM 0 HG3 ARG A 51 5.492 0.969 14.867 1.00 6.26 H new ATOM 0 HD2 ARG A 51 7.621 2.375 14.173 1.00 6.58 H new ATOM 0 HD3 ARG A 51 7.677 2.778 15.877 1.00 6.58 H new ATOM 0 HE ARG A 51 7.481 0.103 16.075 1.00 7.49 H new ATOM 0 HH11 ARG A 51 9.435 2.055 13.853 1.00 8.03 H new ATOM 0 HH12 ARG A 51 10.704 0.832 13.729 1.00 8.03 H new ATOM 0 HH21 ARG A 51 9.112 -1.439 15.898 1.00 9.09 H new ATOM 0 HH22 ARG A 51 10.522 -1.132 14.879 1.00 9.09 H new ATOM 704 N CYS A 52 3.307 2.462 11.687 1.00 3.19 N ATOM 705 CA CYS A 52 2.295 1.599 11.093 1.00 2.95 C ATOM 706 C CYS A 52 2.788 1.083 9.767 1.00 2.88 C ATOM 707 O CYS A 52 2.749 -0.113 9.507 1.00 3.71 O ATOM 708 CB CYS A 52 0.988 2.359 10.914 1.00 2.58 C ATOM 709 SG CYS A 52 -0.511 1.331 11.035 1.00 2.86 S ATOM 0 H CYS A 52 3.127 3.461 11.588 1.00 3.19 H new ATOM 0 HA CYS A 52 2.111 0.755 11.758 1.00 2.95 H new ATOM 0 HB2 CYS A 52 0.935 3.146 11.667 1.00 2.58 H new ATOM 0 HB3 CYS A 52 0.999 2.849 9.941 1.00 2.58 H new ATOM 714 N ALA A 53 3.207 2.000 8.922 1.00 2.29 N ATOM 715 CA ALA A 53 3.758 1.646 7.629 1.00 2.63 C ATOM 716 C ALA A 53 4.857 0.605 7.797 1.00 3.31 C ATOM 717 O ALA A 53 4.988 -0.312 6.991 1.00 4.21 O ATOM 718 CB ALA A 53 4.289 2.880 6.934 1.00 2.26 C ATOM 0 H ALA A 53 3.177 3.003 9.108 1.00 2.29 H new ATOM 0 HA ALA A 53 2.969 1.217 7.011 1.00 2.63 H new ATOM 0 HB1 ALA A 53 4.701 2.602 5.964 1.00 2.26 H new ATOM 0 HB2 ALA A 53 3.479 3.595 6.793 1.00 2.26 H new ATOM 0 HB3 ALA A 53 5.071 3.333 7.544 1.00 2.26 H new ATOM 724 N GLN A 54 5.620 0.747 8.875 1.00 3.34 N ATOM 725 CA GLN A 54 6.685 -0.171 9.196 1.00 4.41 C ATOM 726 C GLN A 54 6.104 -1.516 9.634 1.00 5.45 C ATOM 727 O GLN A 54 6.596 -2.573 9.248 1.00 6.36 O ATOM 728 CB GLN A 54 7.536 0.419 10.308 1.00 4.66 C ATOM 729 CG GLN A 54 8.195 1.729 9.924 1.00 3.96 C ATOM 730 CD GLN A 54 9.385 2.043 10.778 1.00 3.99 C ATOM 731 OE1 GLN A 54 9.278 2.715 11.806 1.00 4.81 O ATOM 732 NE2 GLN A 54 10.526 1.551 10.358 1.00 3.29 N ATOM 0 H GLN A 54 5.510 1.507 9.547 1.00 3.34 H new ATOM 0 HA GLN A 54 7.304 -0.332 8.314 1.00 4.41 H new ATOM 0 HB2 GLN A 54 6.913 0.577 11.188 1.00 4.66 H new ATOM 0 HB3 GLN A 54 8.306 -0.300 10.588 1.00 4.66 H new ATOM 0 HG2 GLN A 54 8.503 1.685 8.879 1.00 3.96 H new ATOM 0 HG3 GLN A 54 7.468 2.537 10.008 1.00 3.96 H new ATOM 0 HE21 GLN A 54 10.559 1.001 9.500 1.00 3.29 H new ATOM 0 HE22 GLN A 54 11.380 1.718 10.890 1.00 3.29 H new ATOM 739 N GLN A 55 5.051 -1.453 10.452 1.00 5.39 N ATOM 740 CA GLN A 55 4.398 -2.648 10.957 1.00 6.43 C ATOM 741 C GLN A 55 3.742 -3.422 9.832 1.00 6.63 C ATOM 742 O GLN A 55 3.913 -4.634 9.717 1.00 7.65 O ATOM 743 CB GLN A 55 3.358 -2.282 12.010 1.00 6.55 C ATOM 744 CG GLN A 55 3.937 -1.989 13.382 1.00 6.70 C ATOM 745 CD GLN A 55 5.373 -2.443 13.540 1.00 7.86 C ATOM 746 OE1 GLN A 55 5.650 -3.588 13.904 1.00 7.98 O ATOM 747 NE2 GLN A 55 6.291 -1.534 13.273 1.00 8.84 N ATOM 0 H GLN A 55 4.636 -0.580 10.776 1.00 5.39 H new ATOM 0 HA GLN A 55 5.160 -3.280 11.414 1.00 6.43 H new ATOM 0 HB2 GLN A 55 2.803 -1.408 11.668 1.00 6.55 H new ATOM 0 HB3 GLN A 55 2.642 -3.100 12.097 1.00 6.55 H new ATOM 0 HG2 GLN A 55 3.880 -0.917 13.570 1.00 6.70 H new ATOM 0 HG3 GLN A 55 3.324 -2.479 14.139 1.00 6.70 H new ATOM 0 HE21 GLN A 55 6.012 -0.599 12.975 1.00 8.84 H new ATOM 0 HE22 GLN A 55 7.280 -1.766 13.365 1.00 8.84 H new ATOM 754 N LEU A 56 2.990 -2.713 9.012 1.00 5.82 N ATOM 755 CA LEU A 56 2.300 -3.317 7.888 1.00 6.26 C ATOM 756 C LEU A 56 3.280 -3.943 6.902 1.00 7.28 C ATOM 757 O LEU A 56 3.252 -5.147 6.651 1.00 8.06 O ATOM 758 CB LEU A 56 1.505 -2.221 7.181 1.00 5.52 C ATOM 759 CG LEU A 56 0.335 -2.701 6.338 1.00 5.69 C ATOM 760 CD1 LEU A 56 -0.576 -3.529 7.197 1.00 5.59 C ATOM 761 CD2 LEU A 56 -0.419 -1.525 5.739 1.00 5.39 C ATOM 0 H LEU A 56 2.841 -1.708 9.105 1.00 5.82 H new ATOM 0 HA LEU A 56 1.646 -4.108 8.254 1.00 6.26 H new ATOM 0 HB2 LEU A 56 1.128 -1.527 7.933 1.00 5.52 H new ATOM 0 HB3 LEU A 56 2.185 -1.659 6.541 1.00 5.52 H new ATOM 0 HG LEU A 56 0.710 -3.307 5.513 1.00 5.69 H new ATOM 0 HD11 LEU A 56 -1.419 -3.879 6.601 1.00 5.59 H new ATOM 0 HD12 LEU A 56 -0.028 -4.386 7.588 1.00 5.59 H new ATOM 0 HD13 LEU A 56 -0.943 -2.924 8.026 1.00 5.59 H new ATOM 0 HD21 LEU A 56 -1.252 -1.894 5.140 1.00 5.39 H new ATOM 0 HD22 LEU A 56 -0.801 -0.891 6.540 1.00 5.39 H new ATOM 0 HD23 LEU A 56 0.254 -0.945 5.107 1.00 5.39 H new ATOM 767 N ALA A 57 4.126 -3.092 6.357 1.00 7.34 N ATOM 768 CA ALA A 57 5.143 -3.515 5.393 1.00 8.24 C ATOM 769 C ALA A 57 6.081 -4.571 5.971 1.00 9.32 C ATOM 770 O ALA A 57 6.673 -5.355 5.233 1.00 10.11 O ATOM 771 CB ALA A 57 5.932 -2.323 4.880 1.00 8.30 C ATOM 0 H ALA A 57 4.135 -2.093 6.563 1.00 7.34 H new ATOM 0 HA ALA A 57 4.617 -3.972 4.555 1.00 8.24 H new ATOM 0 HB1 ALA A 57 6.681 -2.663 4.165 1.00 8.30 H new ATOM 0 HB2 ALA A 57 5.256 -1.622 4.391 1.00 8.30 H new ATOM 0 HB3 ALA A 57 6.426 -1.827 5.715 1.00 8.30 H new ATOM 777 N GLY A 58 6.230 -4.579 7.287 1.00 9.47 N ATOM 778 CA GLY A 58 7.085 -5.552 7.935 1.00 10.56 C ATOM 779 C GLY A 58 6.371 -6.868 8.172 1.00 11.35 C ATOM 780 O GLY A 58 6.974 -7.846 8.618 1.00 12.26 O ATOM 0 H GLY A 58 5.771 -3.925 7.921 1.00 9.47 H new ATOM 0 HA2 GLY A 58 7.968 -5.725 7.320 1.00 10.56 H new ATOM 0 HA3 GLY A 58 7.433 -5.152 8.887 1.00 10.56 H new ATOM 784 N LYS A 59 5.085 -6.898 7.862 1.00 11.16 N ATOM 785 CA LYS A 59 4.279 -8.088 8.045 1.00 12.06 C ATOM 786 C LYS A 59 3.932 -8.712 6.689 1.00 12.61 C ATOM 787 O LYS A 59 2.766 -9.000 6.403 1.00 13.49 O ATOM 788 CB LYS A 59 3.007 -7.736 8.816 1.00 12.17 C ATOM 789 CG LYS A 59 2.253 -8.946 9.340 1.00 13.28 C ATOM 790 CD LYS A 59 0.794 -8.632 9.612 1.00 13.70 C ATOM 791 CE LYS A 59 0.037 -8.455 8.308 1.00 13.92 C ATOM 792 NZ LYS A 59 0.196 -9.628 7.409 1.00 14.63 N ATOM 0 H LYS A 59 4.575 -6.102 7.479 1.00 11.16 H new ATOM 0 HA LYS A 59 4.848 -8.819 8.619 1.00 12.06 H new ATOM 0 HB2 LYS A 59 3.269 -7.091 9.655 1.00 12.17 H new ATOM 0 HB3 LYS A 59 2.347 -7.162 8.166 1.00 12.17 H new ATOM 0 HG2 LYS A 59 2.320 -9.757 8.615 1.00 13.28 H new ATOM 0 HG3 LYS A 59 2.725 -9.298 10.257 1.00 13.28 H new ATOM 0 HD2 LYS A 59 0.345 -9.437 10.194 1.00 13.70 H new ATOM 0 HD3 LYS A 59 0.717 -7.724 10.211 1.00 13.70 H new ATOM 0 HE2 LYS A 59 -1.021 -8.302 8.521 1.00 13.92 H new ATOM 0 HE3 LYS A 59 0.393 -7.558 7.801 1.00 13.92 H new ATOM 0 HZ1 LYS A 59 -0.591 -9.654 6.730 1.00 14.63 H new ATOM 0 HZ2 LYS A 59 1.096 -9.551 6.893 1.00 14.63 H new ATOM 0 HZ3 LYS A 59 0.195 -10.501 7.974 1.00 14.63 H new ATOM 888 N PRO B 103 -4.592 -14.137 7.175 1.00 3.93 N ATOM 889 CA PRO B 103 -5.836 -14.532 7.845 1.00 3.60 C ATOM 890 C PRO B 103 -7.059 -14.040 7.083 1.00 3.24 C ATOM 891 O PRO B 103 -6.953 -13.661 5.910 1.00 3.27 O ATOM 892 CB PRO B 103 -5.757 -13.828 9.202 1.00 3.69 C ATOM 893 CG PRO B 103 -4.338 -13.397 9.345 1.00 4.16 C ATOM 894 CD PRO B 103 -3.852 -13.139 7.953 1.00 4.23 C ATOM 0 HA PRO B 103 -5.935 -15.615 7.918 1.00 3.60 H new ATOM 0 HB2 PRO B 103 -6.432 -12.973 9.241 1.00 3.69 H new ATOM 0 HB3 PRO B 103 -6.046 -14.500 10.010 1.00 3.69 H new ATOM 0 HG2 PRO B 103 -4.261 -12.500 9.959 1.00 4.16 H new ATOM 0 HG3 PRO B 103 -3.741 -14.169 9.832 1.00 4.16 H new ATOM 0 HD2 PRO B 103 -4.073 -12.123 7.627 1.00 4.23 H new ATOM 0 HD3 PRO B 103 -2.774 -13.274 7.867 1.00 4.23 H new ATOM 902 N VAL B 104 -8.221 -14.054 7.731 1.00 2.99 N ATOM 903 CA VAL B 104 -9.424 -13.557 7.090 1.00 2.67 C ATOM 904 C VAL B 104 -9.203 -12.102 6.769 1.00 2.45 C ATOM 905 O VAL B 104 -8.537 -11.391 7.529 1.00 2.61 O ATOM 906 CB VAL B 104 -10.668 -13.640 7.976 1.00 2.51 C ATOM 907 CG1 VAL B 104 -11.927 -13.553 7.133 1.00 2.07 C ATOM 908 CG2 VAL B 104 -10.670 -14.889 8.834 1.00 3.04 C ATOM 0 H VAL B 104 -8.350 -14.398 8.682 1.00 2.99 H new ATOM 0 HA VAL B 104 -9.601 -14.176 6.211 1.00 2.67 H new ATOM 0 HB VAL B 104 -10.647 -12.788 8.656 1.00 2.51 H new ATOM 0 HG11 VAL B 104 -12.803 -13.614 7.779 1.00 2.07 H new ATOM 0 HG12 VAL B 104 -11.939 -12.606 6.594 1.00 2.07 H new ATOM 0 HG13 VAL B 104 -11.945 -14.377 6.420 1.00 2.07 H new ATOM 0 HG21 VAL B 104 -11.571 -14.908 9.447 1.00 3.04 H new ATOM 0 HG22 VAL B 104 -10.649 -15.771 8.193 1.00 3.04 H new ATOM 0 HG23 VAL B 104 -9.792 -14.888 9.479 1.00 3.04 H new ATOM 912 N THR B 105 -9.775 -11.631 5.687 1.00 2.19 N ATOM 913 CA THR B 105 -9.579 -10.249 5.314 1.00 2.02 C ATOM 914 C THR B 105 -10.834 -9.708 4.662 1.00 1.76 C ATOM 915 O THR B 105 -11.799 -10.446 4.463 1.00 1.76 O ATOM 916 CB THR B 105 -8.358 -10.076 4.382 1.00 2.29 C ATOM 917 OG1 THR B 105 -8.368 -11.078 3.357 1.00 2.46 O ATOM 918 CG2 THR B 105 -7.051 -10.155 5.174 1.00 2.83 C ATOM 0 H THR B 105 -10.370 -12.172 5.059 1.00 2.19 H new ATOM 0 HA THR B 105 -9.375 -9.679 6.221 1.00 2.02 H new ATOM 0 HB THR B 105 -8.423 -9.091 3.919 1.00 2.29 H new ATOM 0 HG1 THR B 105 -9.025 -11.769 3.582 1.00 2.46 H new ATOM 0 HG21 THR B 105 -6.207 -10.030 4.496 1.00 2.83 H new ATOM 0 HG22 THR B 105 -7.033 -9.366 5.925 1.00 2.83 H new ATOM 0 HG23 THR B 105 -6.982 -11.125 5.666 1.00 2.83 H new ATOM 923 N LEU B 106 -10.818 -8.432 4.311 1.00 1.62 N ATOM 924 CA LEU B 106 -11.991 -7.827 3.703 1.00 1.43 C ATOM 925 C LEU B 106 -12.195 -8.390 2.318 1.00 1.57 C ATOM 926 O LEU B 106 -13.307 -8.413 1.825 1.00 1.51 O ATOM 927 CB LEU B 106 -11.927 -6.301 3.633 1.00 1.45 C ATOM 928 CG LEU B 106 -10.588 -5.655 3.948 1.00 1.66 C ATOM 929 CD1 LEU B 106 -9.778 -5.462 2.682 1.00 2.20 C ATOM 930 CD2 LEU B 106 -10.807 -4.326 4.637 1.00 2.26 C ATOM 0 H LEU B 106 -10.022 -7.806 4.433 1.00 1.62 H new ATOM 0 HA LEU B 106 -12.835 -8.074 4.347 1.00 1.43 H new ATOM 0 HB2 LEU B 106 -12.224 -5.994 2.630 1.00 1.45 H new ATOM 0 HB3 LEU B 106 -12.669 -5.898 4.323 1.00 1.45 H new ATOM 0 HG LEU B 106 -10.031 -6.314 4.614 1.00 1.66 H new ATOM 0 HD11 LEU B 106 -8.823 -4.998 2.928 1.00 2.20 H new ATOM 0 HD12 LEU B 106 -9.601 -6.430 2.212 1.00 2.20 H new ATOM 0 HD13 LEU B 106 -10.327 -4.819 1.994 1.00 2.20 H new ATOM 0 HD21 LEU B 106 -9.843 -3.869 4.860 1.00 2.26 H new ATOM 0 HD22 LEU B 106 -11.379 -3.667 3.983 1.00 2.26 H new ATOM 0 HD23 LEU B 106 -11.357 -4.483 5.565 1.00 2.26 H new ATOM 936 N TYR B 107 -11.119 -8.873 1.713 1.00 1.84 N ATOM 937 CA TYR B 107 -11.183 -9.455 0.388 1.00 2.08 C ATOM 938 C TYR B 107 -12.032 -10.712 0.419 1.00 2.14 C ATOM 939 O TYR B 107 -12.839 -10.960 -0.473 1.00 2.25 O ATOM 940 CB TYR B 107 -9.777 -9.825 -0.085 1.00 2.41 C ATOM 941 CG TYR B 107 -8.957 -8.667 -0.597 1.00 2.54 C ATOM 942 CD1 TYR B 107 -9.000 -8.309 -1.936 1.00 2.95 C ATOM 943 CD2 TYR B 107 -8.130 -7.947 0.252 1.00 2.48 C ATOM 944 CE1 TYR B 107 -8.243 -7.261 -2.416 1.00 3.16 C ATOM 945 CE2 TYR B 107 -7.366 -6.898 -0.221 1.00 2.66 C ATOM 946 CZ TYR B 107 -7.428 -6.558 -1.557 1.00 2.95 C ATOM 947 OH TYR B 107 -6.673 -5.515 -2.035 1.00 3.21 O ATOM 0 H TYR B 107 -10.186 -8.871 2.126 1.00 1.84 H new ATOM 0 HA TYR B 107 -11.623 -8.727 -0.293 1.00 2.08 H new ATOM 0 HB2 TYR B 107 -9.242 -10.293 0.741 1.00 2.41 H new ATOM 0 HB3 TYR B 107 -9.859 -10.571 -0.875 1.00 2.41 H new ATOM 0 HD1 TYR B 107 -9.636 -8.859 -2.613 1.00 2.95 H new ATOM 0 HD2 TYR B 107 -8.083 -8.210 1.298 1.00 2.48 H new ATOM 0 HE1 TYR B 107 -8.289 -6.993 -3.461 1.00 3.16 H new ATOM 0 HE2 TYR B 107 -6.724 -6.347 0.451 1.00 2.66 H new ATOM 0 HH TYR B 107 -6.154 -5.123 -1.301 1.00 3.21 H new ATOM 957 N ASP B 108 -11.840 -11.482 1.474 1.00 2.13 N ATOM 958 CA ASP B 108 -12.528 -12.736 1.677 1.00 2.26 C ATOM 959 C ASP B 108 -14.009 -12.516 1.870 1.00 1.98 C ATOM 960 O ASP B 108 -14.834 -13.073 1.145 1.00 2.08 O ATOM 961 CB ASP B 108 -11.929 -13.415 2.918 1.00 2.44 C ATOM 962 CG ASP B 108 -10.519 -13.919 2.694 1.00 3.03 C ATOM 963 OD1 ASP B 108 -10.321 -14.780 1.814 1.00 3.15 O ATOM 964 OD2 ASP B 108 -9.599 -13.450 3.402 1.00 3.58 O ATOM 0 H ASP B 108 -11.190 -11.247 2.224 1.00 2.13 H new ATOM 0 HA ASP B 108 -12.401 -13.368 0.798 1.00 2.26 H new ATOM 0 HB2 ASP B 108 -11.929 -12.708 3.748 1.00 2.44 H new ATOM 0 HB3 ASP B 108 -12.565 -14.250 3.211 1.00 2.44 H new ATOM 969 N VAL B 109 -14.348 -11.703 2.849 1.00 1.68 N ATOM 970 CA VAL B 109 -15.741 -11.431 3.113 1.00 1.42 C ATOM 971 C VAL B 109 -16.374 -10.652 1.960 1.00 1.35 C ATOM 972 O VAL B 109 -17.574 -10.747 1.734 1.00 1.34 O ATOM 973 CB VAL B 109 -15.980 -10.771 4.500 1.00 1.19 C ATOM 974 CG1 VAL B 109 -14.714 -10.721 5.341 1.00 1.37 C ATOM 975 CG2 VAL B 109 -16.599 -9.394 4.389 1.00 1.54 C ATOM 0 H VAL B 109 -13.689 -11.227 3.465 1.00 1.68 H new ATOM 0 HA VAL B 109 -16.253 -12.392 3.171 1.00 1.42 H new ATOM 0 HB VAL B 109 -16.696 -11.414 5.012 1.00 1.19 H new ATOM 0 HG11 VAL B 109 -14.933 -10.251 6.300 1.00 1.37 H new ATOM 0 HG12 VAL B 109 -14.348 -11.734 5.508 1.00 1.37 H new ATOM 0 HG13 VAL B 109 -13.953 -10.142 4.819 1.00 1.37 H new ATOM 0 HG21 VAL B 109 -16.744 -8.979 5.386 1.00 1.54 H new ATOM 0 HG22 VAL B 109 -15.938 -8.743 3.818 1.00 1.54 H new ATOM 0 HG23 VAL B 109 -17.562 -9.468 3.883 1.00 1.54 H new ATOM 979 N ALA B 110 -15.562 -9.917 1.208 1.00 1.43 N ATOM 980 CA ALA B 110 -16.062 -9.182 0.050 1.00 1.57 C ATOM 981 C ALA B 110 -16.371 -10.165 -1.065 1.00 1.86 C ATOM 982 O ALA B 110 -17.321 -9.998 -1.824 1.00 1.97 O ATOM 983 CB ALA B 110 -15.054 -8.151 -0.424 1.00 1.73 C ATOM 0 H ALA B 110 -14.561 -9.814 1.377 1.00 1.43 H new ATOM 0 HA ALA B 110 -16.969 -8.649 0.336 1.00 1.57 H new ATOM 0 HB1 ALA B 110 -15.455 -7.620 -1.287 1.00 1.73 H new ATOM 0 HB2 ALA B 110 -14.855 -7.441 0.379 1.00 1.73 H new ATOM 0 HB3 ALA B 110 -14.127 -8.651 -0.704 1.00 1.73 H new ATOM 989 N GLU B 111 -15.555 -11.206 -1.124 1.00 2.03 N ATOM 990 CA GLU B 111 -15.691 -12.264 -2.113 1.00 2.36 C ATOM 991 C GLU B 111 -16.960 -13.036 -1.812 1.00 2.34 C ATOM 992 O GLU B 111 -17.770 -13.345 -2.688 1.00 2.59 O ATOM 993 CB GLU B 111 -14.479 -13.185 -2.017 1.00 2.62 C ATOM 994 CG GLU B 111 -13.765 -13.401 -3.337 1.00 3.04 C ATOM 995 CD GLU B 111 -14.350 -14.549 -4.128 1.00 3.49 C ATOM 996 OE1 GLU B 111 -14.111 -15.716 -3.751 1.00 3.91 O ATOM 997 OE2 GLU B 111 -15.056 -14.294 -5.126 1.00 3.62 O ATOM 0 H GLU B 111 -14.774 -11.341 -0.482 1.00 2.03 H new ATOM 0 HA GLU B 111 -15.745 -11.851 -3.120 1.00 2.36 H new ATOM 0 HB2 GLU B 111 -13.774 -12.768 -1.298 1.00 2.62 H new ATOM 0 HB3 GLU B 111 -14.799 -14.151 -1.626 1.00 2.62 H new ATOM 0 HG2 GLU B 111 -13.821 -12.489 -3.931 1.00 3.04 H new ATOM 0 HG3 GLU B 111 -12.709 -13.594 -3.148 1.00 3.04 H new ATOM 1004 N TYR B 112 -17.095 -13.321 -0.537 1.00 2.08 N ATOM 1005 CA TYR B 112 -18.227 -14.023 0.026 1.00 2.09 C ATOM 1006 C TYR B 112 -19.522 -13.257 -0.212 1.00 1.93 C ATOM 1007 O TYR B 112 -20.461 -13.737 -0.845 1.00 2.13 O ATOM 1008 CB TYR B 112 -17.980 -14.094 1.515 1.00 1.99 C ATOM 1009 CG TYR B 112 -18.274 -15.411 2.164 1.00 2.31 C ATOM 1010 CD1 TYR B 112 -17.566 -16.550 1.825 1.00 2.34 C ATOM 1011 CD2 TYR B 112 -19.243 -15.505 3.146 1.00 2.64 C ATOM 1012 CE1 TYR B 112 -17.818 -17.750 2.452 1.00 2.67 C ATOM 1013 CE2 TYR B 112 -19.506 -16.694 3.773 1.00 2.96 C ATOM 1014 CZ TYR B 112 -18.790 -17.820 3.427 1.00 2.97 C ATOM 1015 OH TYR B 112 -19.039 -19.016 4.063 1.00 3.32 O ATOM 0 H TYR B 112 -16.397 -13.062 0.160 1.00 2.08 H new ATOM 0 HA TYR B 112 -18.327 -15.006 -0.433 1.00 2.09 H new ATOM 0 HB2 TYR B 112 -16.936 -13.843 1.703 1.00 1.99 H new ATOM 0 HB3 TYR B 112 -18.584 -13.328 2.001 1.00 1.99 H new ATOM 0 HD1 TYR B 112 -16.806 -16.498 1.059 1.00 2.34 H new ATOM 0 HD2 TYR B 112 -19.803 -14.624 3.424 1.00 2.64 H new ATOM 0 HE1 TYR B 112 -17.257 -18.632 2.181 1.00 2.67 H new ATOM 0 HE2 TYR B 112 -20.270 -16.749 4.534 1.00 2.96 H new ATOM 0 HH TYR B 112 -19.998 -19.094 4.249 1.00 3.32 H new ATOM 1025 N ALA B 113 -19.518 -12.049 0.321 1.00 1.63 N ATOM 1026 CA ALA B 113 -20.650 -11.150 0.244 1.00 1.55 C ATOM 1027 C ALA B 113 -21.019 -10.816 -1.198 1.00 1.73 C ATOM 1028 O ALA B 113 -22.156 -10.455 -1.488 1.00 1.87 O ATOM 1029 CB ALA B 113 -20.370 -9.890 1.043 1.00 1.29 C ATOM 0 H ALA B 113 -18.719 -11.662 0.824 1.00 1.63 H new ATOM 0 HA ALA B 113 -21.511 -11.658 0.678 1.00 1.55 H new ATOM 0 HB1 ALA B 113 -21.228 -9.220 0.979 1.00 1.29 H new ATOM 0 HB2 ALA B 113 -20.192 -10.152 2.086 1.00 1.29 H new ATOM 0 HB3 ALA B 113 -19.489 -9.391 0.639 1.00 1.29 H new ATOM 1035 N GLY B 114 -20.067 -10.957 -2.102 1.00 1.82 N ATOM 1036 CA GLY B 114 -20.324 -10.654 -3.493 1.00 2.08 C ATOM 1037 C GLY B 114 -20.259 -9.169 -3.743 1.00 2.12 C ATOM 1038 O GLY B 114 -21.080 -8.606 -4.468 1.00 2.49 O ATOM 0 H GLY B 114 -19.120 -11.276 -1.899 1.00 1.82 H new ATOM 0 HA2 GLY B 114 -19.594 -11.164 -4.121 1.00 2.08 H new ATOM 0 HA3 GLY B 114 -21.307 -11.031 -3.776 1.00 2.08 H new ATOM 1042 N VAL B 115 -19.275 -8.538 -3.126 1.00 1.87 N ATOM 1043 CA VAL B 115 -19.061 -7.108 -3.244 1.00 1.97 C ATOM 1044 C VAL B 115 -17.575 -6.827 -3.424 1.00 2.04 C ATOM 1045 O VAL B 115 -16.796 -7.733 -3.729 1.00 2.07 O ATOM 1046 CB VAL B 115 -19.564 -6.362 -1.986 1.00 1.78 C ATOM 1047 CG1 VAL B 115 -21.052 -6.543 -1.831 1.00 1.98 C ATOM 1048 CG2 VAL B 115 -18.854 -6.855 -0.733 1.00 1.43 C ATOM 0 H VAL B 115 -18.598 -9.008 -2.525 1.00 1.87 H new ATOM 0 HA VAL B 115 -19.621 -6.753 -4.109 1.00 1.97 H new ATOM 0 HB VAL B 115 -19.340 -5.303 -2.115 1.00 1.78 H new ATOM 0 HG11 VAL B 115 -21.392 -6.013 -0.942 1.00 1.98 H new ATOM 0 HG12 VAL B 115 -21.560 -6.144 -2.708 1.00 1.98 H new ATOM 0 HG13 VAL B 115 -21.281 -7.604 -1.731 1.00 1.98 H new ATOM 0 HG21 VAL B 115 -19.229 -6.312 0.135 1.00 1.43 H new ATOM 0 HG22 VAL B 115 -19.042 -7.921 -0.604 1.00 1.43 H new ATOM 0 HG23 VAL B 115 -17.782 -6.686 -0.832 1.00 1.43 H new ATOM 1052 N SER B 116 -17.191 -5.579 -3.247 1.00 2.14 N ATOM 1053 CA SER B 116 -15.800 -5.198 -3.351 1.00 2.22 C ATOM 1054 C SER B 116 -15.246 -4.985 -1.957 1.00 1.95 C ATOM 1055 O SER B 116 -15.978 -5.088 -0.969 1.00 1.73 O ATOM 1056 CB SER B 116 -15.639 -3.923 -4.178 1.00 2.55 C ATOM 1057 OG SER B 116 -16.098 -2.789 -3.459 1.00 2.98 O ATOM 0 H SER B 116 -17.826 -4.811 -3.030 1.00 2.14 H new ATOM 0 HA SER B 116 -15.251 -5.993 -3.855 1.00 2.22 H new ATOM 0 HB2 SER B 116 -14.591 -3.789 -4.445 1.00 2.55 H new ATOM 0 HB3 SER B 116 -16.196 -4.017 -5.110 1.00 2.55 H new ATOM 0 HG SER B 116 -16.912 -3.022 -2.965 1.00 2.98 H new ATOM 1063 N VAL B 117 -13.972 -4.659 -1.868 1.00 2.03 N ATOM 1064 CA VAL B 117 -13.355 -4.425 -0.589 1.00 1.86 C ATOM 1065 C VAL B 117 -13.778 -3.073 -0.062 1.00 1.85 C ATOM 1066 O VAL B 117 -13.688 -2.792 1.131 1.00 1.67 O ATOM 1067 CB VAL B 117 -11.834 -4.513 -0.697 1.00 2.11 C ATOM 1068 CG1 VAL B 117 -11.466 -5.918 -1.108 1.00 2.70 C ATOM 1069 CG2 VAL B 117 -11.281 -3.493 -1.688 1.00 2.38 C ATOM 0 H VAL B 117 -13.349 -4.552 -2.668 1.00 2.03 H new ATOM 0 HA VAL B 117 -13.683 -5.195 0.109 1.00 1.86 H new ATOM 0 HB VAL B 117 -11.391 -4.280 0.271 1.00 2.11 H new ATOM 0 HG11 VAL B 117 -10.382 -6.001 -1.191 1.00 2.70 H new ATOM 0 HG12 VAL B 117 -11.828 -6.623 -0.359 1.00 2.70 H new ATOM 0 HG13 VAL B 117 -11.922 -6.146 -2.071 1.00 2.70 H new ATOM 0 HG21 VAL B 117 -10.196 -3.586 -1.738 1.00 2.38 H new ATOM 0 HG22 VAL B 117 -11.707 -3.676 -2.675 1.00 2.38 H new ATOM 0 HG23 VAL B 117 -11.545 -2.487 -1.360 1.00 2.38 H new ATOM 1073 N ALA B 118 -14.279 -2.250 -0.972 1.00 2.11 N ATOM 1074 CA ALA B 118 -14.746 -0.937 -0.622 1.00 2.23 C ATOM 1075 C ALA B 118 -16.051 -1.055 0.136 1.00 2.07 C ATOM 1076 O ALA B 118 -16.292 -0.327 1.097 1.00 2.12 O ATOM 1077 CB ALA B 118 -14.923 -0.081 -1.862 1.00 2.61 C ATOM 0 H ALA B 118 -14.368 -2.480 -1.962 1.00 2.11 H new ATOM 0 HA ALA B 118 -14.005 -0.452 0.013 1.00 2.23 H new ATOM 0 HB1 ALA B 118 -15.277 0.909 -1.573 1.00 2.61 H new ATOM 0 HB2 ALA B 118 -13.968 0.012 -2.379 1.00 2.61 H new ATOM 0 HB3 ALA B 118 -15.651 -0.548 -2.525 1.00 2.61 H new ATOM 1083 N THR B 119 -16.883 -2.003 -0.285 1.00 1.94 N ATOM 1084 CA THR B 119 -18.159 -2.223 0.363 1.00 1.84 C ATOM 1085 C THR B 119 -17.946 -2.735 1.781 1.00 1.51 C ATOM 1086 O THR B 119 -18.617 -2.318 2.726 1.00 1.51 O ATOM 1087 CB THR B 119 -18.994 -3.229 -0.435 1.00 1.93 C ATOM 1088 OG1 THR B 119 -18.520 -3.271 -1.789 1.00 2.18 O ATOM 1089 CG2 THR B 119 -20.463 -2.842 -0.426 1.00 2.17 C ATOM 0 H THR B 119 -16.692 -2.626 -1.070 1.00 1.94 H new ATOM 0 HA THR B 119 -18.695 -1.275 0.405 1.00 1.84 H new ATOM 0 HB THR B 119 -18.892 -4.210 0.028 1.00 1.93 H new ATOM 0 HG1 THR B 119 -19.277 -3.175 -2.404 1.00 2.18 H new ATOM 0 HG21 THR B 119 -21.035 -3.572 -0.999 1.00 2.17 H new ATOM 0 HG22 THR B 119 -20.827 -2.821 0.601 1.00 2.17 H new ATOM 0 HG23 THR B 119 -20.582 -1.855 -0.873 1.00 2.17 H new ATOM 1094 N VAL B 120 -17.004 -3.650 1.904 1.00 1.33 N ATOM 1095 CA VAL B 120 -16.665 -4.235 3.190 1.00 1.05 C ATOM 1096 C VAL B 120 -15.997 -3.232 4.119 1.00 1.07 C ATOM 1097 O VAL B 120 -16.346 -3.174 5.290 1.00 0.98 O ATOM 1098 CB VAL B 120 -15.796 -5.480 3.015 1.00 1.05 C ATOM 1099 CG1 VAL B 120 -15.307 -6.015 4.350 1.00 1.29 C ATOM 1100 CG2 VAL B 120 -16.608 -6.524 2.290 1.00 1.25 C ATOM 0 H VAL B 120 -16.455 -4.008 1.123 1.00 1.33 H new ATOM 0 HA VAL B 120 -17.602 -4.534 3.661 1.00 1.05 H new ATOM 0 HB VAL B 120 -14.910 -5.221 2.436 1.00 1.05 H new ATOM 0 HG11 VAL B 120 -14.693 -6.900 4.184 1.00 1.29 H new ATOM 0 HG12 VAL B 120 -14.714 -5.251 4.853 1.00 1.29 H new ATOM 0 HG13 VAL B 120 -16.163 -6.278 4.972 1.00 1.29 H new ATOM 0 HG21 VAL B 120 -16.007 -7.423 2.154 1.00 1.25 H new ATOM 0 HG22 VAL B 120 -17.495 -6.766 2.875 1.00 1.25 H new ATOM 0 HG23 VAL B 120 -16.910 -6.139 1.316 1.00 1.25 H new ATOM 1104 N SER B 121 -15.055 -2.435 3.615 1.00 1.32 N ATOM 1105 CA SER B 121 -14.411 -1.429 4.442 1.00 1.42 C ATOM 1106 C SER B 121 -15.470 -0.473 4.960 1.00 1.54 C ATOM 1107 O SER B 121 -15.365 0.045 6.059 1.00 1.64 O ATOM 1108 CB SER B 121 -13.342 -0.676 3.655 1.00 1.73 C ATOM 1109 OG SER B 121 -12.153 -1.440 3.562 1.00 2.33 O ATOM 0 H SER B 121 -14.728 -2.469 2.650 1.00 1.32 H new ATOM 0 HA SER B 121 -13.914 -1.915 5.281 1.00 1.42 H new ATOM 0 HB2 SER B 121 -13.713 -0.449 2.655 1.00 1.73 H new ATOM 0 HB3 SER B 121 -13.130 0.277 4.141 1.00 1.73 H new ATOM 0 HG SER B 121 -12.224 -2.066 2.811 1.00 2.33 H new ATOM 1115 N ARG B 122 -16.493 -0.254 4.147 1.00 1.65 N ATOM 1116 CA ARG B 122 -17.614 0.580 4.524 1.00 1.87 C ATOM 1117 C ARG B 122 -18.330 -0.031 5.709 1.00 1.69 C ATOM 1118 O ARG B 122 -18.468 0.599 6.741 1.00 1.81 O ATOM 1119 CB ARG B 122 -18.555 0.682 3.343 1.00 2.16 C ATOM 1120 CG ARG B 122 -18.157 1.739 2.335 1.00 2.54 C ATOM 1121 CD ARG B 122 -18.455 3.137 2.851 1.00 3.12 C ATOM 1122 NE ARG B 122 -18.128 4.181 1.882 1.00 3.54 N ATOM 1123 CZ ARG B 122 -17.398 5.262 2.168 1.00 4.20 C ATOM 1124 NH1 ARG B 122 -16.859 5.416 3.376 1.00 4.65 N ATOM 1125 NH2 ARG B 122 -17.198 6.187 1.241 1.00 4.73 N ATOM 0 H ARG B 122 -16.565 -0.651 3.210 1.00 1.65 H new ATOM 0 HA ARG B 122 -17.265 1.574 4.805 1.00 1.87 H new ATOM 0 HB2 ARG B 122 -18.601 -0.285 2.842 1.00 2.16 H new ATOM 0 HB3 ARG B 122 -19.559 0.900 3.708 1.00 2.16 H new ATOM 0 HG2 ARG B 122 -17.093 1.650 2.113 1.00 2.54 H new ATOM 0 HG3 ARG B 122 -18.692 1.573 1.400 1.00 2.54 H new ATOM 0 HD2 ARG B 122 -19.512 3.206 3.110 1.00 3.12 H new ATOM 0 HD3 ARG B 122 -17.891 3.309 3.767 1.00 3.12 H new ATOM 0 HE ARG B 122 -18.479 4.078 0.930 1.00 3.54 H new ATOM 0 HH11 ARG B 122 -17.002 4.705 4.093 1.00 4.65 H new ATOM 0 HH12 ARG B 122 -16.303 6.245 3.584 1.00 4.65 H new ATOM 0 HH21 ARG B 122 -17.601 6.073 0.311 1.00 4.73 H new ATOM 0 HH22 ARG B 122 -16.641 7.014 1.457 1.00 4.73 H new ATOM 1139 N VAL B 123 -18.719 -1.283 5.573 1.00 1.48 N ATOM 1140 CA VAL B 123 -19.432 -1.965 6.641 1.00 1.43 C ATOM 1141 C VAL B 123 -18.527 -2.096 7.860 1.00 1.23 C ATOM 1142 O VAL B 123 -18.963 -1.946 9.003 1.00 1.39 O ATOM 1143 CB VAL B 123 -19.933 -3.342 6.212 1.00 1.43 C ATOM 1144 CG1 VAL B 123 -20.699 -3.987 7.352 1.00 2.11 C ATOM 1145 CG2 VAL B 123 -20.796 -3.220 4.966 1.00 1.71 C ATOM 0 H VAL B 123 -18.556 -1.848 4.740 1.00 1.48 H new ATOM 0 HA VAL B 123 -20.307 -1.365 6.890 1.00 1.43 H new ATOM 0 HB VAL B 123 -19.082 -3.979 5.969 1.00 1.43 H new ATOM 0 HG11 VAL B 123 -21.055 -4.969 7.041 1.00 2.11 H new ATOM 0 HG12 VAL B 123 -20.043 -4.095 8.216 1.00 2.11 H new ATOM 0 HG13 VAL B 123 -21.550 -3.361 7.619 1.00 2.11 H new ATOM 0 HG21 VAL B 123 -21.148 -4.208 4.669 1.00 1.71 H new ATOM 0 HG22 VAL B 123 -21.652 -2.579 5.177 1.00 1.71 H new ATOM 0 HG23 VAL B 123 -20.208 -2.786 4.157 1.00 1.71 H new ATOM 1149 N VAL B 124 -17.260 -2.368 7.586 1.00 1.01 N ATOM 1150 CA VAL B 124 -16.232 -2.471 8.606 1.00 0.97 C ATOM 1151 C VAL B 124 -16.134 -1.139 9.344 1.00 1.22 C ATOM 1152 O VAL B 124 -15.885 -1.081 10.549 1.00 1.41 O ATOM 1153 CB VAL B 124 -14.881 -2.825 7.933 1.00 0.84 C ATOM 1154 CG1 VAL B 124 -13.706 -2.177 8.623 1.00 1.19 C ATOM 1155 CG2 VAL B 124 -14.684 -4.326 7.870 1.00 0.77 C ATOM 0 H VAL B 124 -16.915 -2.525 6.639 1.00 1.01 H new ATOM 0 HA VAL B 124 -16.481 -3.255 9.321 1.00 0.97 H new ATOM 0 HB VAL B 124 -14.926 -2.428 6.919 1.00 0.84 H new ATOM 0 HG11 VAL B 124 -12.785 -2.457 8.113 1.00 1.19 H new ATOM 0 HG12 VAL B 124 -13.821 -1.093 8.596 1.00 1.19 H new ATOM 0 HG13 VAL B 124 -13.663 -2.512 9.659 1.00 1.19 H new ATOM 0 HG21 VAL B 124 -13.729 -4.548 7.394 1.00 0.77 H new ATOM 0 HG22 VAL B 124 -14.690 -4.736 8.880 1.00 0.77 H new ATOM 0 HG23 VAL B 124 -15.491 -4.775 7.291 1.00 0.77 H new ATOM 1159 N ASN B 125 -16.345 -0.073 8.588 1.00 1.33 N ATOM 1160 CA ASN B 125 -16.314 1.278 9.132 1.00 1.62 C ATOM 1161 C ASN B 125 -17.709 1.745 9.527 1.00 1.85 C ATOM 1162 O ASN B 125 -17.917 2.930 9.784 1.00 2.18 O ATOM 1163 CB ASN B 125 -15.726 2.250 8.114 1.00 1.76 C ATOM 1164 CG ASN B 125 -14.216 2.313 8.170 1.00 1.72 C ATOM 1165 OD1 ASN B 125 -13.641 2.992 9.021 1.00 2.01 O ATOM 1166 ND2 ASN B 125 -13.561 1.607 7.266 1.00 1.57 N ATOM 0 H ASN B 125 -16.541 -0.117 7.588 1.00 1.33 H new ATOM 0 HA ASN B 125 -15.685 1.259 10.022 1.00 1.62 H new ATOM 0 HB2 ASN B 125 -16.036 1.952 7.112 1.00 1.76 H new ATOM 0 HB3 ASN B 125 -16.134 3.245 8.291 1.00 1.76 H new ATOM 0 HD21 ASN B 125 -12.541 1.612 7.256 1.00 1.57 H new ATOM 0 HD22 ASN B 125 -14.075 1.057 6.578 1.00 1.57 H new ATOM 1173 N GLN B 126 -18.652 0.805 9.584 1.00 1.75 N ATOM 1174 CA GLN B 126 -20.039 1.108 9.933 1.00 2.00 C ATOM 1175 C GLN B 126 -20.616 2.150 8.986 1.00 2.28 C ATOM 1176 O GLN B 126 -21.124 3.195 9.396 1.00 2.59 O ATOM 1177 CB GLN B 126 -20.147 1.560 11.373 1.00 2.28 C ATOM 1178 CG GLN B 126 -20.279 0.394 12.329 1.00 2.26 C ATOM 1179 CD GLN B 126 -19.009 -0.412 12.474 1.00 2.20 C ATOM 1180 OE1 GLN B 126 -17.897 0.278 12.612 1.00 2.62 O flip ATOM 1181 NE2 GLN B 126 -19.030 -1.643 12.493 1.00 2.05 N flip ATOM 0 H GLN B 126 -18.478 -0.181 9.391 1.00 1.75 H new ATOM 0 HA GLN B 126 -20.625 0.195 9.826 1.00 2.00 H new ATOM 0 HB2 GLN B 126 -19.266 2.145 11.636 1.00 2.28 H new ATOM 0 HB3 GLN B 126 -21.010 2.217 11.482 1.00 2.28 H new ATOM 0 HG2 GLN B 126 -20.576 0.769 13.308 1.00 2.26 H new ATOM 0 HG3 GLN B 126 -21.078 -0.261 11.983 1.00 2.26 H new ATOM 0 HE21 GLN B 126 -19.914 -2.140 12.382 1.00 2.05 H new ATOM 0 HE22 GLN B 126 -18.163 -2.166 12.619 1.00 2.05 H new ATOM 1188 N ALA B 127 -20.511 1.829 7.714 1.00 2.26 N ATOM 1189 CA ALA B 127 -20.970 2.676 6.621 1.00 2.68 C ATOM 1190 C ALA B 127 -22.415 3.109 6.765 1.00 2.58 C ATOM 1191 O ALA B 127 -23.272 2.345 7.214 1.00 2.78 O ATOM 1192 CB ALA B 127 -20.833 1.954 5.309 1.00 3.35 C ATOM 0 H ALA B 127 -20.095 0.953 7.398 1.00 2.26 H new ATOM 0 HA ALA B 127 -20.342 3.566 6.652 1.00 2.68 H new ATOM 0 HB1 ALA B 127 -21.180 2.598 4.501 1.00 3.35 H new ATOM 0 HB2 ALA B 127 -19.787 1.695 5.144 1.00 3.35 H new ATOM 0 HB3 ALA B 127 -21.433 1.044 5.330 1.00 3.35 H new ATOM 1198 N SER B 128 -22.676 4.333 6.372 1.00 2.78 N ATOM 1199 CA SER B 128 -24.013 4.861 6.389 1.00 3.07 C ATOM 1200 C SER B 128 -24.607 4.724 4.996 1.00 3.19 C ATOM 1201 O SER B 128 -25.812 4.544 4.824 1.00 3.58 O ATOM 1202 CB SER B 128 -24.001 6.315 6.831 1.00 3.43 C ATOM 1203 OG SER B 128 -23.192 6.487 7.985 1.00 3.90 O ATOM 0 H SER B 128 -21.969 4.986 6.034 1.00 2.78 H new ATOM 0 HA SER B 128 -24.623 4.304 7.100 1.00 3.07 H new ATOM 0 HB2 SER B 128 -23.626 6.942 6.022 1.00 3.43 H new ATOM 0 HB3 SER B 128 -25.019 6.643 7.043 1.00 3.43 H new ATOM 0 HG SER B 128 -23.197 7.430 8.251 1.00 3.90 H new ATOM 1209 N HIS B 129 -23.727 4.798 4.000 1.00 2.99 N ATOM 1210 CA HIS B 129 -24.136 4.679 2.609 1.00 3.16 C ATOM 1211 C HIS B 129 -24.457 3.247 2.231 1.00 2.98 C ATOM 1212 O HIS B 129 -25.256 3.009 1.332 1.00 3.05 O ATOM 1213 CB HIS B 129 -23.071 5.254 1.668 1.00 3.29 C ATOM 1214 CG HIS B 129 -23.178 6.738 1.495 1.00 3.68 C ATOM 1215 ND1 HIS B 129 -22.473 7.441 0.544 1.00 4.09 N ATOM 1216 CD2 HIS B 129 -23.944 7.650 2.139 1.00 3.92 C ATOM 1217 CE1 HIS B 129 -22.801 8.717 0.611 1.00 4.48 C ATOM 1218 NE2 HIS B 129 -23.690 8.871 1.570 1.00 4.40 N ATOM 0 H HIS B 129 -22.726 4.940 4.134 1.00 2.99 H new ATOM 0 HA HIS B 129 -25.050 5.263 2.498 1.00 3.16 H new ATOM 0 HB2 HIS B 129 -22.082 5.010 2.056 1.00 3.29 H new ATOM 0 HB3 HIS B 129 -23.158 4.774 0.694 1.00 3.29 H new ATOM 0 HD2 HIS B 129 -24.628 7.452 2.951 1.00 3.92 H new ATOM 0 HE1 HIS B 129 -22.407 9.503 -0.016 1.00 4.48 H new ATOM 0 HE2 HIS B 129 -24.119 9.754 1.845 1.00 4.40 H new ATOM 1227 N VAL B 130 -23.831 2.297 2.900 1.00 2.81 N ATOM 1228 CA VAL B 130 -24.079 0.892 2.632 1.00 2.71 C ATOM 1229 C VAL B 130 -25.495 0.575 3.049 1.00 2.91 C ATOM 1230 O VAL B 130 -25.904 0.884 4.174 1.00 3.16 O ATOM 1231 CB VAL B 130 -23.068 -0.037 3.371 1.00 2.44 C ATOM 1232 CG1 VAL B 130 -23.750 -1.251 3.999 1.00 2.56 C ATOM 1233 CG2 VAL B 130 -21.978 -0.502 2.420 1.00 2.52 C ATOM 0 H VAL B 130 -23.146 2.473 3.635 1.00 2.81 H new ATOM 0 HA VAL B 130 -23.944 0.707 1.566 1.00 2.71 H new ATOM 0 HB VAL B 130 -22.627 0.553 4.175 1.00 2.44 H new ATOM 0 HG11 VAL B 130 -23.005 -1.867 4.502 1.00 2.56 H new ATOM 0 HG12 VAL B 130 -24.493 -0.917 4.723 1.00 2.56 H new ATOM 0 HG13 VAL B 130 -24.240 -1.836 3.221 1.00 2.56 H new ATOM 0 HG21 VAL B 130 -21.282 -1.149 2.953 1.00 2.52 H new ATOM 0 HG22 VAL B 130 -22.427 -1.054 1.594 1.00 2.52 H new ATOM 0 HG23 VAL B 130 -21.442 0.363 2.029 1.00 2.52 H new ATOM 1237 N SER B 131 -26.247 -0.008 2.146 1.00 3.16 N ATOM 1238 CA SER B 131 -27.612 -0.334 2.440 1.00 3.41 C ATOM 1239 C SER B 131 -27.666 -1.375 3.556 1.00 3.34 C ATOM 1240 O SER B 131 -26.744 -2.183 3.700 1.00 3.52 O ATOM 1241 CB SER B 131 -28.314 -0.847 1.185 1.00 3.60 C ATOM 1242 OG SER B 131 -27.751 -0.267 0.018 1.00 3.66 O ATOM 0 H SER B 131 -25.935 -0.263 1.209 1.00 3.16 H new ATOM 0 HA SER B 131 -28.131 0.564 2.776 1.00 3.41 H new ATOM 0 HB2 SER B 131 -28.229 -1.932 1.134 1.00 3.60 H new ATOM 0 HB3 SER B 131 -29.377 -0.612 1.236 1.00 3.60 H new ATOM 0 HG SER B 131 -28.214 -0.611 -0.774 1.00 3.66 H new ATOM 1248 N ALA B 132 -28.725 -1.327 4.351 1.00 3.13 N ATOM 1249 CA ALA B 132 -28.903 -2.257 5.459 1.00 3.13 C ATOM 1250 C ALA B 132 -28.693 -3.698 5.015 1.00 2.94 C ATOM 1251 O ALA B 132 -28.052 -4.483 5.717 1.00 2.84 O ATOM 1252 CB ALA B 132 -30.283 -2.080 6.070 1.00 3.57 C ATOM 0 H ALA B 132 -29.480 -0.649 4.249 1.00 3.13 H new ATOM 0 HA ALA B 132 -28.150 -2.034 6.214 1.00 3.13 H new ATOM 0 HB1 ALA B 132 -30.407 -2.779 6.897 1.00 3.57 H new ATOM 0 HB2 ALA B 132 -30.390 -1.060 6.438 1.00 3.57 H new ATOM 0 HB3 ALA B 132 -31.043 -2.274 5.314 1.00 3.57 H new ATOM 1258 N LYS B 133 -29.201 -4.036 3.839 1.00 2.95 N ATOM 1259 CA LYS B 133 -29.061 -5.381 3.315 1.00 2.86 C ATOM 1260 C LYS B 133 -27.598 -5.748 3.112 1.00 2.52 C ATOM 1261 O LYS B 133 -27.167 -6.842 3.472 1.00 2.39 O ATOM 1262 CB LYS B 133 -29.824 -5.531 2.010 1.00 3.08 C ATOM 1263 CG LYS B 133 -30.960 -6.536 2.104 1.00 3.26 C ATOM 1264 CD LYS B 133 -30.449 -7.968 2.214 1.00 3.59 C ATOM 1265 CE LYS B 133 -31.403 -8.843 3.015 1.00 3.54 C ATOM 1266 NZ LYS B 133 -31.652 -8.306 4.381 1.00 4.27 N ATOM 0 H LYS B 133 -29.713 -3.396 3.232 1.00 2.95 H new ATOM 0 HA LYS B 133 -29.483 -6.066 4.050 1.00 2.86 H new ATOM 0 HB2 LYS B 133 -30.226 -4.561 1.716 1.00 3.08 H new ATOM 0 HB3 LYS B 133 -29.134 -5.841 1.225 1.00 3.08 H new ATOM 0 HG2 LYS B 133 -31.578 -6.304 2.971 1.00 3.26 H new ATOM 0 HG3 LYS B 133 -31.598 -6.445 1.225 1.00 3.26 H new ATOM 0 HD2 LYS B 133 -30.321 -8.387 1.216 1.00 3.59 H new ATOM 0 HD3 LYS B 133 -29.468 -7.969 2.688 1.00 3.59 H new ATOM 0 HE2 LYS B 133 -32.350 -8.926 2.482 1.00 3.54 H new ATOM 0 HE3 LYS B 133 -30.991 -9.849 3.092 1.00 3.54 H new ATOM 0 HZ1 LYS B 133 -31.897 -9.088 5.022 1.00 4.27 H new ATOM 0 HZ2 LYS B 133 -30.795 -7.829 4.728 1.00 4.27 H new ATOM 0 HZ3 LYS B 133 -32.438 -7.626 4.349 1.00 4.27 H new ATOM 1280 N THR B 134 -26.840 -4.826 2.543 1.00 2.42 N ATOM 1281 CA THR B 134 -25.424 -5.039 2.300 1.00 2.12 C ATOM 1282 C THR B 134 -24.665 -5.152 3.605 1.00 1.91 C ATOM 1283 O THR B 134 -23.755 -5.966 3.739 1.00 1.66 O ATOM 1284 CB THR B 134 -24.825 -3.907 1.478 1.00 2.15 C ATOM 1285 OG1 THR B 134 -25.623 -3.667 0.312 1.00 2.38 O ATOM 1286 CG2 THR B 134 -23.396 -4.237 1.085 1.00 1.91 C ATOM 0 H THR B 134 -27.186 -3.916 2.239 1.00 2.42 H new ATOM 0 HA THR B 134 -25.333 -5.971 1.741 1.00 2.12 H new ATOM 0 HB THR B 134 -24.814 -3.002 2.085 1.00 2.15 H new ATOM 0 HG1 THR B 134 -25.230 -2.936 -0.209 1.00 2.38 H new ATOM 0 HG21 THR B 134 -22.982 -3.418 0.498 1.00 1.91 H new ATOM 0 HG22 THR B 134 -22.795 -4.379 1.983 1.00 1.91 H new ATOM 0 HG23 THR B 134 -23.384 -5.151 0.492 1.00 1.91 H new ATOM 1291 N ARG B 135 -25.021 -4.303 4.547 1.00 2.08 N ATOM 1292 CA ARG B 135 -24.406 -4.331 5.865 1.00 2.01 C ATOM 1293 C ARG B 135 -24.483 -5.744 6.424 1.00 1.90 C ATOM 1294 O ARG B 135 -23.500 -6.287 6.907 1.00 1.69 O ATOM 1295 CB ARG B 135 -25.103 -3.326 6.801 1.00 2.33 C ATOM 1296 CG ARG B 135 -24.608 -3.356 8.242 1.00 2.49 C ATOM 1297 CD ARG B 135 -25.349 -4.371 9.071 1.00 2.51 C ATOM 1298 NE ARG B 135 -24.972 -4.309 10.483 1.00 2.92 N ATOM 1299 CZ ARG B 135 -25.818 -4.042 11.474 1.00 3.24 C ATOM 1300 NH1 ARG B 135 -27.099 -3.797 11.218 1.00 3.30 N ATOM 1301 NH2 ARG B 135 -25.382 -4.010 12.723 1.00 3.83 N ATOM 0 H ARG B 135 -25.734 -3.583 4.428 1.00 2.08 H new ATOM 0 HA ARG B 135 -23.358 -4.040 5.787 1.00 2.01 H new ATOM 0 HB2 ARG B 135 -24.963 -2.321 6.403 1.00 2.33 H new ATOM 0 HB3 ARG B 135 -26.175 -3.525 6.794 1.00 2.33 H new ATOM 0 HG2 ARG B 135 -23.543 -3.585 8.255 1.00 2.49 H new ATOM 0 HG3 ARG B 135 -24.727 -2.368 8.687 1.00 2.49 H new ATOM 0 HD2 ARG B 135 -26.422 -4.203 8.975 1.00 2.51 H new ATOM 0 HD3 ARG B 135 -25.147 -5.370 8.686 1.00 2.51 H new ATOM 0 HE ARG B 135 -23.996 -4.482 10.723 1.00 2.92 H new ATOM 0 HH11 ARG B 135 -27.439 -3.813 10.256 1.00 3.30 H new ATOM 0 HH12 ARG B 135 -27.742 -3.593 11.983 1.00 3.30 H new ATOM 0 HH21 ARG B 135 -24.398 -4.190 12.925 1.00 3.83 H new ATOM 0 HH22 ARG B 135 -26.029 -3.805 13.484 1.00 3.83 H new ATOM 1315 N GLU B 136 -25.643 -6.349 6.272 1.00 2.09 N ATOM 1316 CA GLU B 136 -25.869 -7.698 6.754 1.00 2.13 C ATOM 1317 C GLU B 136 -25.129 -8.698 5.868 1.00 1.92 C ATOM 1318 O GLU B 136 -24.624 -9.717 6.334 1.00 1.96 O ATOM 1319 CB GLU B 136 -27.355 -8.008 6.762 1.00 2.40 C ATOM 1320 CG GLU B 136 -28.170 -7.112 7.649 1.00 2.66 C ATOM 1321 CD GLU B 136 -29.651 -7.254 7.383 1.00 2.93 C ATOM 1322 OE1 GLU B 136 -30.064 -7.143 6.207 1.00 3.37 O ATOM 1323 OE2 GLU B 136 -30.412 -7.492 8.346 1.00 3.14 O ATOM 0 H GLU B 136 -26.450 -5.925 5.815 1.00 2.09 H new ATOM 0 HA GLU B 136 -25.489 -7.778 7.772 1.00 2.13 H new ATOM 0 HB2 GLU B 136 -27.735 -7.934 5.743 1.00 2.40 H new ATOM 0 HB3 GLU B 136 -27.497 -9.041 7.080 1.00 2.40 H new ATOM 0 HG2 GLU B 136 -27.964 -7.349 8.693 1.00 2.66 H new ATOM 0 HG3 GLU B 136 -27.870 -6.076 7.492 1.00 2.66 H new ATOM 1330 N LYS B 137 -25.079 -8.370 4.588 1.00 1.78 N ATOM 1331 CA LYS B 137 -24.429 -9.180 3.563 1.00 1.68 C ATOM 1332 C LYS B 137 -22.964 -9.475 3.889 1.00 1.46 C ATOM 1333 O LYS B 137 -22.514 -10.621 3.870 1.00 1.53 O ATOM 1334 CB LYS B 137 -24.493 -8.407 2.246 1.00 1.70 C ATOM 1335 CG LYS B 137 -23.878 -9.140 1.080 1.00 2.12 C ATOM 1336 CD LYS B 137 -23.387 -8.171 0.014 1.00 2.24 C ATOM 1337 CE LYS B 137 -24.531 -7.487 -0.716 1.00 2.51 C ATOM 1338 NZ LYS B 137 -25.586 -8.441 -1.158 1.00 3.11 N ATOM 0 H LYS B 137 -25.497 -7.515 4.221 1.00 1.78 H new ATOM 0 HA LYS B 137 -24.948 -10.137 3.504 1.00 1.68 H new ATOM 0 HB2 LYS B 137 -25.535 -8.186 2.015 1.00 1.70 H new ATOM 0 HB3 LYS B 137 -23.985 -7.451 2.371 1.00 1.70 H new ATOM 0 HG2 LYS B 137 -23.046 -9.751 1.430 1.00 2.12 H new ATOM 0 HG3 LYS B 137 -24.612 -9.819 0.647 1.00 2.12 H new ATOM 0 HD2 LYS B 137 -22.752 -7.416 0.477 1.00 2.24 H new ATOM 0 HD3 LYS B 137 -22.770 -8.709 -0.706 1.00 2.24 H new ATOM 0 HE2 LYS B 137 -24.976 -6.737 -0.062 1.00 2.51 H new ATOM 0 HE3 LYS B 137 -24.138 -6.959 -1.585 1.00 2.51 H new ATOM 0 HZ1 LYS B 137 -26.212 -7.973 -1.844 1.00 3.11 H new ATOM 0 HZ2 LYS B 137 -25.141 -9.269 -1.604 1.00 3.11 H new ATOM 0 HZ3 LYS B 137 -26.143 -8.748 -0.335 1.00 3.11 H new ATOM 1352 N VAL B 138 -22.249 -8.418 4.206 1.00 1.29 N ATOM 1353 CA VAL B 138 -20.838 -8.530 4.498 1.00 1.09 C ATOM 1354 C VAL B 138 -20.568 -8.926 5.953 1.00 1.21 C ATOM 1355 O VAL B 138 -19.588 -9.614 6.225 1.00 1.25 O ATOM 1356 CB VAL B 138 -20.042 -7.273 4.103 1.00 0.95 C ATOM 1357 CG1 VAL B 138 -20.819 -6.421 3.128 1.00 1.45 C ATOM 1358 CG2 VAL B 138 -19.623 -6.473 5.308 1.00 1.71 C ATOM 0 H VAL B 138 -22.622 -7.471 4.268 1.00 1.29 H new ATOM 0 HA VAL B 138 -20.476 -9.343 3.869 1.00 1.09 H new ATOM 0 HB VAL B 138 -19.132 -7.610 3.606 1.00 0.95 H new ATOM 0 HG11 VAL B 138 -20.232 -5.540 2.867 1.00 1.45 H new ATOM 0 HG12 VAL B 138 -21.028 -6.998 2.227 1.00 1.45 H new ATOM 0 HG13 VAL B 138 -21.758 -6.109 3.585 1.00 1.45 H new ATOM 0 HG21 VAL B 138 -19.064 -5.595 4.985 1.00 1.71 H new ATOM 0 HG22 VAL B 138 -20.508 -6.157 5.861 1.00 1.71 H new ATOM 0 HG23 VAL B 138 -18.993 -7.087 5.952 1.00 1.71 H new ATOM 1362 N GLU B 139 -21.423 -8.507 6.889 1.00 1.39 N ATOM 1363 CA GLU B 139 -21.248 -8.862 8.277 1.00 1.58 C ATOM 1364 C GLU B 139 -21.398 -10.354 8.442 1.00 1.75 C ATOM 1365 O GLU B 139 -20.687 -10.983 9.226 1.00 1.88 O ATOM 1366 CB GLU B 139 -22.275 -8.134 9.119 1.00 1.81 C ATOM 1367 CG GLU B 139 -21.963 -6.663 9.298 1.00 2.17 C ATOM 1368 CD GLU B 139 -22.048 -6.207 10.739 1.00 2.73 C ATOM 1369 OE1 GLU B 139 -21.816 -7.028 11.646 1.00 3.05 O ATOM 1370 OE2 GLU B 139 -22.357 -5.023 10.971 1.00 3.10 O ATOM 0 H GLU B 139 -22.238 -7.923 6.700 1.00 1.39 H new ATOM 0 HA GLU B 139 -20.250 -8.571 8.606 1.00 1.58 H new ATOM 0 HB2 GLU B 139 -23.256 -8.237 8.655 1.00 1.81 H new ATOM 0 HB3 GLU B 139 -22.335 -8.608 10.099 1.00 1.81 H new ATOM 0 HG2 GLU B 139 -20.961 -6.462 8.918 1.00 2.17 H new ATOM 0 HG3 GLU B 139 -22.656 -6.075 8.696 1.00 2.17 H new ATOM 1377 N ALA B 140 -22.334 -10.909 7.688 1.00 1.81 N ATOM 1378 CA ALA B 140 -22.567 -12.338 7.702 1.00 2.02 C ATOM 1379 C ALA B 140 -21.341 -13.052 7.154 1.00 1.95 C ATOM 1380 O ALA B 140 -20.931 -14.096 7.658 1.00 2.18 O ATOM 1381 CB ALA B 140 -23.812 -12.703 6.900 1.00 2.15 C ATOM 0 H ALA B 140 -22.944 -10.387 7.059 1.00 1.81 H new ATOM 0 HA ALA B 140 -22.740 -12.657 8.730 1.00 2.02 H new ATOM 0 HB1 ALA B 140 -23.960 -13.782 6.929 1.00 2.15 H new ATOM 0 HB2 ALA B 140 -24.681 -12.206 7.331 1.00 2.15 H new ATOM 0 HB3 ALA B 140 -23.686 -12.382 5.866 1.00 2.15 H new ATOM 1387 N ALA B 141 -20.745 -12.449 6.132 1.00 1.68 N ATOM 1388 CA ALA B 141 -19.555 -12.983 5.518 1.00 1.65 C ATOM 1389 C ALA B 141 -18.428 -12.955 6.532 1.00 1.66 C ATOM 1390 O ALA B 141 -17.745 -13.956 6.746 1.00 1.90 O ATOM 1391 CB ALA B 141 -19.194 -12.184 4.276 1.00 1.47 C ATOM 0 H ALA B 141 -21.078 -11.580 5.714 1.00 1.68 H new ATOM 0 HA ALA B 141 -19.730 -14.012 5.205 1.00 1.65 H new ATOM 0 HB1 ALA B 141 -18.293 -12.600 3.825 1.00 1.47 H new ATOM 0 HB2 ALA B 141 -20.015 -12.233 3.560 1.00 1.47 H new ATOM 0 HB3 ALA B 141 -19.015 -11.145 4.551 1.00 1.47 H new ATOM 1397 N MET B 142 -18.295 -11.813 7.201 1.00 1.50 N ATOM 1398 CA MET B 142 -17.283 -11.618 8.215 1.00 1.61 C ATOM 1399 C MET B 142 -17.394 -12.689 9.286 1.00 1.93 C ATOM 1400 O MET B 142 -16.403 -13.219 9.778 1.00 2.11 O ATOM 1401 CB MET B 142 -17.470 -10.271 8.908 1.00 1.51 C ATOM 1402 CG MET B 142 -17.174 -9.039 8.068 1.00 1.53 C ATOM 1403 SD MET B 142 -17.182 -7.541 9.078 1.00 2.27 S ATOM 1404 CE MET B 142 -17.345 -6.266 7.834 1.00 2.42 C ATOM 0 H MET B 142 -18.891 -11.000 7.049 1.00 1.50 H new ATOM 0 HA MET B 142 -16.313 -11.664 7.719 1.00 1.61 H new ATOM 0 HB2 MET B 142 -18.499 -10.207 9.260 1.00 1.51 H new ATOM 0 HB3 MET B 142 -16.829 -10.247 9.790 1.00 1.51 H new ATOM 0 HG2 MET B 142 -16.203 -9.150 7.585 1.00 1.53 H new ATOM 0 HG3 MET B 142 -17.916 -8.950 7.275 1.00 1.53 H new ATOM 0 HE1 MET B 142 -17.014 -5.312 8.245 1.00 2.42 H new ATOM 0 HE2 MET B 142 -16.732 -6.521 6.969 1.00 2.42 H new ATOM 0 HE3 MET B 142 -18.388 -6.187 7.528 1.00 2.42 H new ATOM 1414 N ALA B 143 -18.632 -12.986 9.610 1.00 2.04 N ATOM 1415 CA ALA B 143 -18.987 -13.947 10.651 1.00 2.38 C ATOM 1416 C ALA B 143 -18.544 -15.372 10.347 1.00 2.59 C ATOM 1417 O ALA B 143 -17.899 -16.019 11.177 1.00 2.89 O ATOM 1418 CB ALA B 143 -20.491 -13.913 10.884 1.00 2.49 C ATOM 0 H ALA B 143 -19.441 -12.564 9.154 1.00 2.04 H new ATOM 0 HA ALA B 143 -18.450 -13.645 11.550 1.00 2.38 H new ATOM 0 HB1 ALA B 143 -20.755 -14.630 11.661 1.00 2.49 H new ATOM 0 HB2 ALA B 143 -20.788 -12.912 11.198 1.00 2.49 H new ATOM 0 HB3 ALA B 143 -21.008 -14.172 9.960 1.00 2.49 H new ATOM 1424 N GLU B 144 -18.876 -15.848 9.163 1.00 2.46 N ATOM 1425 CA GLU B 144 -18.562 -17.208 8.763 1.00 2.69 C ATOM 1426 C GLU B 144 -17.078 -17.472 8.776 1.00 2.75 C ATOM 1427 O GLU B 144 -16.607 -18.485 9.291 1.00 3.01 O ATOM 1428 CB GLU B 144 -19.084 -17.458 7.375 1.00 2.61 C ATOM 1429 CG GLU B 144 -20.537 -17.097 7.221 1.00 2.71 C ATOM 1430 CD GLU B 144 -21.274 -18.003 6.264 1.00 3.16 C ATOM 1431 OE1 GLU B 144 -20.982 -19.216 6.237 1.00 3.53 O ATOM 1432 OE2 GLU B 144 -22.158 -17.511 5.540 1.00 3.49 O ATOM 0 H GLU B 144 -19.369 -15.307 8.453 1.00 2.46 H new ATOM 0 HA GLU B 144 -19.035 -17.877 9.481 1.00 2.69 H new ATOM 0 HB2 GLU B 144 -18.494 -16.882 6.662 1.00 2.61 H new ATOM 0 HB3 GLU B 144 -18.948 -18.510 7.125 1.00 2.61 H new ATOM 0 HG2 GLU B 144 -21.021 -17.138 8.197 1.00 2.71 H new ATOM 0 HG3 GLU B 144 -20.614 -16.068 6.870 1.00 2.71 H new ATOM 1439 N LEU B 145 -16.358 -16.548 8.199 1.00 2.55 N ATOM 1440 CA LEU B 145 -14.923 -16.632 8.089 1.00 2.61 C ATOM 1441 C LEU B 145 -14.229 -16.280 9.400 1.00 2.66 C ATOM 1442 O LEU B 145 -13.100 -16.706 9.636 1.00 2.82 O ATOM 1443 CB LEU B 145 -14.470 -15.658 7.009 1.00 2.39 C ATOM 1444 CG LEU B 145 -15.362 -15.596 5.769 1.00 2.32 C ATOM 1445 CD1 LEU B 145 -15.306 -14.218 5.129 1.00 2.67 C ATOM 1446 CD2 LEU B 145 -14.947 -16.642 4.768 1.00 2.64 C ATOM 0 H LEU B 145 -16.755 -15.704 7.786 1.00 2.55 H new ATOM 0 HA LEU B 145 -14.655 -17.658 7.838 1.00 2.61 H new ATOM 0 HB2 LEU B 145 -14.411 -14.660 7.444 1.00 2.39 H new ATOM 0 HB3 LEU B 145 -13.461 -15.930 6.698 1.00 2.39 H new ATOM 0 HG LEU B 145 -16.387 -15.792 6.083 1.00 2.32 H new ATOM 0 HD11 LEU B 145 -15.949 -14.199 4.249 1.00 2.67 H new ATOM 0 HD12 LEU B 145 -15.648 -13.470 5.844 1.00 2.67 H new ATOM 0 HD13 LEU B 145 -14.281 -13.995 4.834 1.00 2.67 H new ATOM 0 HD21 LEU B 145 -15.593 -16.583 3.892 1.00 2.64 H new ATOM 0 HD22 LEU B 145 -13.913 -16.470 4.469 1.00 2.64 H new ATOM 0 HD23 LEU B 145 -15.035 -17.631 5.218 1.00 2.64 H new ATOM 1452 N ASN B 146 -14.917 -15.505 10.240 1.00 2.60 N ATOM 1453 CA ASN B 146 -14.376 -15.038 11.513 1.00 2.70 C ATOM 1454 C ASN B 146 -13.290 -14.014 11.208 1.00 2.57 C ATOM 1455 O ASN B 146 -12.112 -14.220 11.470 1.00 2.86 O ATOM 1456 CB ASN B 146 -13.872 -16.201 12.365 1.00 3.12 C ATOM 1457 CG ASN B 146 -13.285 -15.775 13.688 1.00 3.19 C ATOM 1458 OD1 ASN B 146 -12.071 -15.611 13.828 1.00 3.34 O ATOM 1459 ND2 ASN B 146 -14.139 -15.615 14.673 1.00 3.49 N ATOM 0 H ASN B 146 -15.867 -15.184 10.054 1.00 2.60 H new ATOM 0 HA ASN B 146 -15.155 -14.564 12.109 1.00 2.70 H new ATOM 0 HB2 ASN B 146 -14.697 -16.889 12.549 1.00 3.12 H new ATOM 0 HB3 ASN B 146 -13.117 -16.751 11.803 1.00 3.12 H new ATOM 0 HD21 ASN B 146 -13.806 -15.345 15.598 1.00 3.49 H new ATOM 0 HD22 ASN B 146 -15.136 -15.761 14.513 1.00 3.49 H new ATOM 1466 N TYR B 147 -13.749 -12.951 10.555 1.00 2.19 N ATOM 1467 CA TYR B 147 -12.935 -11.820 10.100 1.00 2.03 C ATOM 1468 C TYR B 147 -12.005 -11.212 11.187 1.00 2.31 C ATOM 1469 O TYR B 147 -11.167 -11.901 11.761 1.00 2.53 O ATOM 1470 CB TYR B 147 -13.896 -10.764 9.496 1.00 1.65 C ATOM 1471 CG TYR B 147 -13.231 -9.532 8.904 1.00 1.50 C ATOM 1472 CD1 TYR B 147 -12.106 -9.625 8.094 1.00 1.48 C ATOM 1473 CD2 TYR B 147 -13.723 -8.265 9.195 1.00 1.57 C ATOM 1474 CE1 TYR B 147 -11.495 -8.490 7.596 1.00 1.52 C ATOM 1475 CE2 TYR B 147 -13.119 -7.133 8.695 1.00 1.55 C ATOM 1476 CZ TYR B 147 -12.005 -7.250 7.898 1.00 1.52 C ATOM 1477 OH TYR B 147 -11.393 -6.124 7.403 1.00 1.65 O ATOM 0 H TYR B 147 -14.735 -12.846 10.317 1.00 2.19 H new ATOM 0 HA TYR B 147 -12.235 -12.185 9.348 1.00 2.03 H new ATOM 0 HB2 TYR B 147 -14.490 -11.243 8.718 1.00 1.65 H new ATOM 0 HB3 TYR B 147 -14.589 -10.442 10.274 1.00 1.65 H new ATOM 0 HD1 TYR B 147 -11.704 -10.597 7.850 1.00 1.48 H new ATOM 0 HD2 TYR B 147 -14.595 -8.167 9.825 1.00 1.57 H new ATOM 0 HE1 TYR B 147 -10.619 -8.577 6.971 1.00 1.52 H new ATOM 0 HE2 TYR B 147 -13.519 -6.157 8.928 1.00 1.55 H new ATOM 0 HH TYR B 147 -10.778 -6.376 6.683 1.00 1.65 H new ATOM 1487 N ILE B 148 -12.127 -9.901 11.378 1.00 2.42 N ATOM 1488 CA ILE B 148 -11.335 -9.094 12.303 1.00 2.80 C ATOM 1489 C ILE B 148 -10.216 -8.425 11.505 1.00 2.72 C ATOM 1490 O ILE B 148 -9.339 -9.094 10.954 1.00 2.76 O ATOM 1491 CB ILE B 148 -10.781 -9.883 13.496 1.00 3.30 C ATOM 1492 CG1 ILE B 148 -11.925 -10.228 14.447 1.00 3.52 C ATOM 1493 CG2 ILE B 148 -9.687 -9.097 14.214 1.00 3.81 C ATOM 1494 CD1 ILE B 148 -11.480 -10.919 15.707 1.00 3.83 C ATOM 0 H ILE B 148 -12.814 -9.346 10.868 1.00 2.42 H new ATOM 0 HA ILE B 148 -11.990 -8.347 12.751 1.00 2.80 H new ATOM 0 HB ILE B 148 -10.329 -10.806 13.134 1.00 3.30 H new ATOM 0 HG12 ILE B 148 -12.453 -9.312 14.713 1.00 3.52 H new ATOM 0 HG13 ILE B 148 -12.638 -10.867 13.926 1.00 3.52 H new ATOM 0 HG21 ILE B 148 -9.312 -9.680 15.055 1.00 3.81 H new ATOM 0 HG22 ILE B 148 -8.870 -8.894 13.521 1.00 3.81 H new ATOM 0 HG23 ILE B 148 -10.096 -8.155 14.579 1.00 3.81 H new ATOM 0 HD11 ILE B 148 -12.348 -11.132 16.331 1.00 3.83 H new ATOM 0 HD12 ILE B 148 -10.979 -11.853 15.452 1.00 3.83 H new ATOM 0 HD13 ILE B 148 -10.790 -10.274 16.252 1.00 3.83 H new ATOM 1498 N PRO B 149 -10.258 -7.089 11.411 1.00 2.88 N ATOM 1499 CA PRO B 149 -9.306 -6.306 10.629 1.00 3.03 C ATOM 1500 C PRO B 149 -8.060 -5.881 11.393 1.00 2.77 C ATOM 1501 O PRO B 149 -8.037 -5.841 12.623 1.00 3.05 O ATOM 1502 CB PRO B 149 -10.128 -5.078 10.274 1.00 3.57 C ATOM 1503 CG PRO B 149 -10.977 -4.855 11.478 1.00 3.57 C ATOM 1504 CD PRO B 149 -11.233 -6.218 12.090 1.00 3.26 C ATOM 0 HA PRO B 149 -8.915 -6.881 9.790 1.00 3.03 H new ATOM 0 HB2 PRO B 149 -9.492 -4.217 10.069 1.00 3.57 H new ATOM 0 HB3 PRO B 149 -10.734 -5.246 9.384 1.00 3.57 H new ATOM 0 HG2 PRO B 149 -10.475 -4.200 12.190 1.00 3.57 H new ATOM 0 HG3 PRO B 149 -11.915 -4.371 11.206 1.00 3.57 H new ATOM 0 HD2 PRO B 149 -11.079 -6.209 13.169 1.00 3.26 H new ATOM 0 HD3 PRO B 149 -12.257 -6.550 11.917 1.00 3.26 H new ATOM 1512 N ASN B 150 -7.025 -5.571 10.634 1.00 2.62 N ATOM 1513 CA ASN B 150 -5.766 -5.126 11.184 1.00 2.54 C ATOM 1514 C ASN B 150 -5.828 -3.648 11.505 1.00 2.42 C ATOM 1515 O ASN B 150 -6.009 -2.816 10.617 1.00 2.60 O ATOM 1516 CB ASN B 150 -4.635 -5.410 10.206 1.00 2.56 C ATOM 1517 CG ASN B 150 -3.993 -6.748 10.454 1.00 3.19 C ATOM 1518 OD1 ASN B 150 -3.858 -7.183 11.594 1.00 3.68 O ATOM 1519 ND2 ASN B 150 -3.606 -7.415 9.385 1.00 3.53 N ATOM 0 H ASN B 150 -7.038 -5.622 9.615 1.00 2.62 H new ATOM 0 HA ASN B 150 -5.573 -5.674 12.107 1.00 2.54 H new ATOM 0 HB2 ASN B 150 -5.021 -5.377 9.187 1.00 2.56 H new ATOM 0 HB3 ASN B 150 -3.881 -4.627 10.287 1.00 2.56 H new ATOM 0 HD21 ASN B 150 -3.174 -8.333 9.486 1.00 3.53 H new ATOM 0 HD22 ASN B 150 -3.739 -7.013 8.457 1.00 3.53 H new ATOM 1526 N ARG B 151 -5.653 -3.343 12.776 1.00 2.38 N ATOM 1527 CA ARG B 151 -5.715 -1.976 13.279 1.00 2.38 C ATOM 1528 C ARG B 151 -4.714 -1.052 12.590 1.00 2.32 C ATOM 1529 O ARG B 151 -4.923 0.156 12.534 1.00 2.27 O ATOM 1530 CB ARG B 151 -5.476 -1.967 14.784 1.00 2.76 C ATOM 1531 CG ARG B 151 -6.110 -0.789 15.504 1.00 2.95 C ATOM 1532 CD ARG B 151 -7.620 -0.877 15.516 1.00 3.01 C ATOM 1533 NE ARG B 151 -8.242 0.423 15.730 1.00 3.24 N ATOM 1534 CZ ARG B 151 -9.329 0.848 15.088 1.00 3.63 C ATOM 1535 NH1 ARG B 151 -9.929 0.081 14.185 1.00 3.98 N ATOM 1536 NH2 ARG B 151 -9.818 2.048 15.351 1.00 4.07 N ATOM 0 H ARG B 151 -5.462 -4.039 13.497 1.00 2.38 H new ATOM 0 HA ARG B 151 -6.712 -1.595 13.056 1.00 2.38 H new ATOM 0 HB2 ARG B 151 -5.866 -2.892 15.209 1.00 2.76 H new ATOM 0 HB3 ARG B 151 -4.402 -1.958 14.971 1.00 2.76 H new ATOM 0 HG2 ARG B 151 -5.741 -0.750 16.529 1.00 2.95 H new ATOM 0 HG3 ARG B 151 -5.805 0.139 15.020 1.00 2.95 H new ATOM 0 HD2 ARG B 151 -7.966 -1.293 14.570 1.00 3.01 H new ATOM 0 HD3 ARG B 151 -7.937 -1.564 16.301 1.00 3.01 H new ATOM 0 HE ARG B 151 -7.818 1.048 16.416 1.00 3.24 H new ATOM 0 HH11 ARG B 151 -9.558 -0.846 13.976 1.00 3.98 H new ATOM 0 HH12 ARG B 151 -10.761 0.419 13.701 1.00 3.98 H new ATOM 0 HH21 ARG B 151 -9.363 2.644 16.043 1.00 4.07 H new ATOM 0 HH22 ARG B 151 -10.650 2.378 14.862 1.00 4.07 H new ATOM 1550 N CYS B 152 -3.659 -1.621 12.025 1.00 2.48 N ATOM 1551 CA CYS B 152 -2.631 -0.820 11.371 1.00 2.63 C ATOM 1552 C CYS B 152 -3.098 -0.412 9.999 1.00 2.50 C ATOM 1553 O CYS B 152 -3.073 0.761 9.655 1.00 2.67 O ATOM 1554 CB CYS B 152 -1.322 -1.596 11.273 1.00 2.93 C ATOM 1555 SG CYS B 152 0.179 -0.558 11.306 1.00 3.23 S ATOM 0 H CYS B 152 -3.492 -2.627 12.005 1.00 2.48 H new ATOM 0 HA CYS B 152 -2.453 0.074 11.969 1.00 2.63 H new ATOM 0 HB2 CYS B 152 -1.274 -2.308 12.097 1.00 2.93 H new ATOM 0 HB3 CYS B 152 -1.327 -2.176 10.350 1.00 2.93 H new ATOM 1560 N ALA B 153 -3.492 -1.391 9.210 1.00 2.32 N ATOM 1561 CA ALA B 153 -4.002 -1.124 7.879 1.00 2.32 C ATOM 1562 C ALA B 153 -5.099 -0.067 7.948 1.00 2.21 C ATOM 1563 O ALA B 153 -5.194 0.799 7.086 1.00 2.45 O ATOM 1564 CB ALA B 153 -4.514 -2.402 7.241 1.00 2.28 C ATOM 0 H ALA B 153 -3.469 -2.378 9.466 1.00 2.32 H new ATOM 0 HA ALA B 153 -3.193 -0.742 7.256 1.00 2.32 H new ATOM 0 HB1 ALA B 153 -4.893 -2.184 6.243 1.00 2.28 H new ATOM 0 HB2 ALA B 153 -3.701 -3.125 7.170 1.00 2.28 H new ATOM 0 HB3 ALA B 153 -5.316 -2.817 7.851 1.00 2.28 H new ATOM 1570 N GLN B 154 -5.899 -0.139 9.007 1.00 2.00 N ATOM 1571 CA GLN B 154 -6.967 0.811 9.245 1.00 2.06 C ATOM 1572 C GLN B 154 -6.387 2.189 9.566 1.00 2.35 C ATOM 1573 O GLN B 154 -6.861 3.208 9.071 1.00 2.61 O ATOM 1574 CB GLN B 154 -7.821 0.324 10.403 1.00 2.05 C ATOM 1575 CG GLN B 154 -8.439 -1.036 10.159 1.00 1.74 C ATOM 1576 CD GLN B 154 -9.643 -1.275 11.017 1.00 1.62 C ATOM 1577 OE1 GLN B 154 -9.550 -1.810 12.121 1.00 2.13 O ATOM 1578 NE2 GLN B 154 -10.780 -0.869 10.516 1.00 1.56 N ATOM 0 H GLN B 154 -5.820 -0.861 9.723 1.00 2.00 H new ATOM 0 HA GLN B 154 -7.582 0.894 8.349 1.00 2.06 H new ATOM 0 HB2 GLN B 154 -7.209 0.281 11.304 1.00 2.05 H new ATOM 0 HB3 GLN B 154 -8.614 1.048 10.590 1.00 2.05 H new ATOM 0 HG2 GLN B 154 -8.721 -1.122 9.110 1.00 1.74 H new ATOM 0 HG3 GLN B 154 -7.697 -1.810 10.354 1.00 1.74 H new ATOM 0 HE21 GLN B 154 -10.804 -0.431 9.595 1.00 1.56 H new ATOM 0 HE22 GLN B 154 -11.643 -0.990 11.046 1.00 1.56 H new ATOM 1585 N GLN B 155 -5.371 2.198 10.424 1.00 2.42 N ATOM 1586 CA GLN B 155 -4.709 3.428 10.823 1.00 2.79 C ATOM 1587 C GLN B 155 -4.005 4.081 9.639 1.00 3.09 C ATOM 1588 O GLN B 155 -4.162 5.277 9.397 1.00 3.45 O ATOM 1589 CB GLN B 155 -3.700 3.148 11.934 1.00 2.96 C ATOM 1590 CG GLN B 155 -4.315 2.974 13.311 1.00 2.89 C ATOM 1591 CD GLN B 155 -5.758 3.421 13.390 1.00 3.39 C ATOM 1592 OE1 GLN B 155 -6.056 4.587 13.644 1.00 3.95 O ATOM 1593 NE2 GLN B 155 -6.660 2.484 13.176 1.00 3.50 N ATOM 0 H GLN B 155 -4.988 1.358 10.857 1.00 2.42 H new ATOM 0 HA GLN B 155 -5.470 4.115 11.192 1.00 2.79 H new ATOM 0 HB2 GLN B 155 -3.142 2.246 11.682 1.00 2.96 H new ATOM 0 HB3 GLN B 155 -2.982 3.967 11.971 1.00 2.96 H new ATOM 0 HG2 GLN B 155 -4.252 1.924 13.598 1.00 2.89 H new ATOM 0 HG3 GLN B 155 -3.728 3.538 14.036 1.00 2.89 H new ATOM 0 HE21 GLN B 155 -6.365 1.530 12.969 1.00 3.50 H new ATOM 0 HE22 GLN B 155 -7.653 2.713 13.218 1.00 3.50 H new ATOM 1600 N LEU B 156 -3.219 3.291 8.922 1.00 3.06 N ATOM 1601 CA LEU B 156 -2.487 3.771 7.763 1.00 3.49 C ATOM 1602 C LEU B 156 -3.434 4.279 6.675 1.00 3.68 C ATOM 1603 O LEU B 156 -3.399 5.447 6.294 1.00 4.13 O ATOM 1604 CB LEU B 156 -1.644 2.612 7.222 1.00 3.53 C ATOM 1605 CG LEU B 156 -0.458 3.006 6.351 1.00 4.11 C ATOM 1606 CD1 LEU B 156 0.399 4.004 7.086 1.00 4.43 C ATOM 1607 CD2 LEU B 156 0.368 1.787 5.988 1.00 4.41 C ATOM 0 H LEU B 156 -3.072 2.303 9.128 1.00 3.06 H new ATOM 0 HA LEU B 156 -1.853 4.607 8.058 1.00 3.49 H new ATOM 0 HB2 LEU B 156 -1.273 2.032 8.067 1.00 3.53 H new ATOM 0 HB3 LEU B 156 -2.293 1.954 6.644 1.00 3.53 H new ATOM 0 HG LEU B 156 -0.833 3.455 5.431 1.00 4.11 H new ATOM 0 HD11 LEU B 156 1.247 4.285 6.462 1.00 4.43 H new ATOM 0 HD12 LEU B 156 -0.191 4.891 7.316 1.00 4.43 H new ATOM 0 HD13 LEU B 156 0.762 3.559 8.012 1.00 4.43 H new ATOM 0 HD21 LEU B 156 1.210 2.090 5.366 1.00 4.41 H new ATOM 0 HD22 LEU B 156 0.740 1.316 6.898 1.00 4.41 H new ATOM 0 HD23 LEU B 156 -0.252 1.078 5.439 1.00 4.41 H new ATOM 1613 N ALA B 157 -4.266 3.375 6.196 1.00 3.42 N ATOM 1614 CA ALA B 157 -5.252 3.699 5.162 1.00 3.67 C ATOM 1615 C ALA B 157 -6.204 4.807 5.603 1.00 3.76 C ATOM 1616 O ALA B 157 -6.724 5.550 4.774 1.00 4.19 O ATOM 1617 CB ALA B 157 -6.037 2.467 4.749 1.00 3.75 C ATOM 0 H ALA B 157 -4.285 2.403 6.503 1.00 3.42 H new ATOM 0 HA ALA B 157 -4.694 4.065 4.300 1.00 3.67 H new ATOM 0 HB1 ALA B 157 -6.761 2.738 3.981 1.00 3.75 H new ATOM 0 HB2 ALA B 157 -5.353 1.715 4.355 1.00 3.75 H new ATOM 0 HB3 ALA B 157 -6.561 2.062 5.615 1.00 3.75 H new ATOM 1623 N GLY B 158 -6.427 4.917 6.906 1.00 3.59 N ATOM 1624 CA GLY B 158 -7.309 5.935 7.431 1.00 3.97 C ATOM 1625 C GLY B 158 -6.628 7.282 7.538 1.00 4.36 C ATOM 1626 O GLY B 158 -7.276 8.303 7.769 1.00 4.91 O ATOM 0 H GLY B 158 -6.008 4.312 7.612 1.00 3.59 H new ATOM 0 HA2 GLY B 158 -8.184 6.022 6.787 1.00 3.97 H new ATOM 0 HA3 GLY B 158 -7.666 5.631 8.415 1.00 3.97 H new ATOM 1630 N LYS B 159 -5.321 7.284 7.355 1.00 4.48 N ATOM 1631 CA LYS B 159 -4.535 8.497 7.432 1.00 5.33 C ATOM 1632 C LYS B 159 -4.198 8.999 6.024 1.00 5.77 C ATOM 1633 O LYS B 159 -3.031 9.211 5.686 1.00 6.56 O ATOM 1634 CB LYS B 159 -3.260 8.234 8.227 1.00 5.95 C ATOM 1635 CG LYS B 159 -2.488 9.493 8.591 1.00 7.06 C ATOM 1636 CD LYS B 159 -1.021 9.207 8.838 1.00 7.88 C ATOM 1637 CE LYS B 159 -0.300 8.930 7.532 1.00 8.15 C ATOM 1638 NZ LYS B 159 -0.520 10.010 6.535 1.00 8.98 N ATOM 0 H LYS B 159 -4.777 6.446 7.149 1.00 4.48 H new ATOM 0 HA LYS B 159 -5.114 9.268 7.941 1.00 5.33 H new ATOM 0 HB2 LYS B 159 -3.518 7.701 9.142 1.00 5.95 H new ATOM 0 HB3 LYS B 159 -2.611 7.577 7.647 1.00 5.95 H new ATOM 0 HG2 LYS B 159 -2.585 10.223 7.787 1.00 7.06 H new ATOM 0 HG3 LYS B 159 -2.925 9.941 9.483 1.00 7.06 H new ATOM 0 HD2 LYS B 159 -0.559 10.057 9.340 1.00 7.88 H new ATOM 0 HD3 LYS B 159 -0.920 8.350 9.504 1.00 7.88 H new ATOM 0 HE2 LYS B 159 0.768 8.825 7.723 1.00 8.15 H new ATOM 0 HE3 LYS B 159 -0.646 7.981 7.121 1.00 8.15 H new ATOM 0 HZ1 LYS B 159 0.295 10.059 5.891 1.00 8.98 H new ATOM 0 HZ2 LYS B 159 -1.381 9.808 5.988 1.00 8.98 H new ATOM 0 HZ3 LYS B 159 -0.628 10.920 7.027 1.00 8.98 H new