USER MOD reduce.3.24.130724 H: found=0, std=0, add=1184, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1186 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 ASN : amide:sc= -3.69! C(o=-3.5!,f=-6.6!) USER MOD Set 1.2: A 135 ASN : amide:sc= 0.212 X(o=-3.5,f=-3.8) USER MOD Set 2.1: A 61 TYR OH : rot -136:sc= 1.23 USER MOD Set 2.2: A 105 SER OG : rot 36:sc= 1.4 USER MOD Set 3.1: A 48 GLN :FLIP amide:sc= -0.861 F(o=-2.3,f=-0.86) USER MOD Set 3.2: A 157 ASN :FLIP amide:sc= 0 X(o=-1.2,f=-0.86) USER MOD Single : A 3 GLN : amide:sc= -0.235 K(o=-0.24,f=-0.98) USER MOD Single : A 4 SER OG : rot 145:sc= 1.09 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -118:sc= 1.25 (180deg=0.00721) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.391 K(o=-0.39,f=-1.1) USER MOD Single : A 20 LYS NZ :NH3+ -147:sc= -3.42! (180deg=-5.68!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -65:sc= -0.0164 USER MOD Single : A 26 GLN : amide:sc= -0.0376 K(o=-0.038,f=-1.4!) USER MOD Single : A 28 SER OG : rot 142:sc= 0.817 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -130:sc= 1.04 USER MOD Single : A 47 LYS NZ :NH3+ -144:sc= 0.377 (180deg=-0.996!) USER MOD Single : A 66 SER OG : rot 32:sc= 1.26 USER MOD Single : A 69 THR OG1 : rot -85:sc= 1.3 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -1.62! C(o=-3.6!,f=-1.6!) USER MOD Single : A 73 HIS : no HD1:sc= -0.364 X(o=-0.36,f=0.08) USER MOD Single : A 75 THR OG1 : rot 180:sc= -4.02! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 82 SER OG : rot -111:sc= 0.739 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 88 ASN : amide:sc= 0.538 K(o=0.54,f=0) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.873 F(o=-3.8!,f=-0.87) USER MOD Single : A 111 CYS SG : rot 156:sc= -15.5! USER MOD Single : A 114 SER OG : rot 73:sc= 0.939 USER MOD Single : A 117 LYS NZ :NH3+ 156:sc= 0.535 (180deg=-0.274) USER MOD Single : A 119 MET CE :methyl -156:sc= -3.36! (180deg=-6.84!) USER MOD Single : A 120 GLN :FLIP amide:sc= -1.03 F(o=-2.5!,f=-1) USER MOD Single : A 124 SER OG : rot -82:sc= 0.183 USER MOD Single : A 130 MET CE :methyl 174:sc= -4.43! (180deg=-4.59!) USER MOD Single : A 132 THR OG1 : rot 78:sc= 0.543 USER MOD Single : A 133 TYR OH : rot 82:sc= 0.841 USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 GLN : amide:sc= -0.0567 K(o=-0.057,f=-0.65) USER MOD Single : A 145 ASN :FLIP amide:sc= -0.519 F(o=-5.4!,f=-0.52) USER MOD Single : A 150 THR OG1 : rot -45:sc= 1.21 USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD Single : B1014 CYS SG : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 0.198 10.049 11.950 1.00 0.73 N ATOM 32 CA GLN A 3 -1.011 10.216 11.149 1.00 0.73 C ATOM 33 C GLN A 3 -0.674 10.099 9.663 1.00 0.61 C ATOM 34 O GLN A 3 -1.537 10.223 8.793 1.00 0.64 O ATOM 35 CB GLN A 3 -1.656 11.571 11.443 1.00 0.83 C ATOM 36 CG GLN A 3 -3.151 11.593 11.183 1.00 1.13 C ATOM 37 CD GLN A 3 -3.916 10.702 12.144 1.00 1.76 C ATOM 38 OE1 GLN A 3 -3.511 10.510 13.291 1.00 2.42 O ATOM 39 NE2 GLN A 3 -5.028 10.153 11.685 1.00 2.22 N ATOM 0 HA GLN A 3 -1.720 9.430 11.411 1.00 0.73 H new ATOM 0 HB2 GLN A 3 -1.471 11.835 12.484 1.00 0.83 H new ATOM 0 HB3 GLN A 3 -1.176 12.334 10.831 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -3.518 12.616 11.269 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -3.344 11.271 10.160 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -5.330 10.337 10.728 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -5.584 9.546 12.288 1.00 2.22 H new ATOM 48 N SER A 4 0.595 9.839 9.396 1.00 0.55 N ATOM 49 CA SER A 4 1.124 9.767 8.042 1.00 0.52 C ATOM 50 C SER A 4 0.619 8.544 7.287 1.00 0.45 C ATOM 51 O SER A 4 0.720 8.467 6.062 1.00 0.46 O ATOM 52 CB SER A 4 2.633 9.749 8.124 1.00 0.61 C ATOM 53 OG SER A 4 3.094 10.856 8.874 1.00 1.25 O ATOM 0 H SER A 4 1.294 9.670 10.119 1.00 0.55 H new ATOM 0 HA SER A 4 0.778 10.638 7.485 1.00 0.52 H new ATOM 0 HB2 SER A 4 2.968 8.821 8.588 1.00 0.61 H new ATOM 0 HB3 SER A 4 3.059 9.777 7.121 1.00 0.61 H new ATOM 0 HG SER A 4 3.891 10.598 9.382 1.00 1.25 H new ATOM 59 N ASN A 5 0.067 7.594 8.022 1.00 0.43 N ATOM 60 CA ASN A 5 -0.555 6.416 7.428 1.00 0.39 C ATOM 61 C ASN A 5 -1.724 6.812 6.536 1.00 0.35 C ATOM 62 O ASN A 5 -2.162 6.037 5.687 1.00 0.35 O ATOM 63 CB ASN A 5 -1.031 5.451 8.513 1.00 0.40 C ATOM 64 CG ASN A 5 -1.495 6.153 9.767 1.00 0.80 C ATOM 65 OD1 ASN A 5 -2.003 7.272 9.718 1.00 1.78 O ATOM 66 ND2 ASN A 5 -1.306 5.503 10.906 1.00 0.53 N ATOM 0 H ASN A 5 0.036 7.614 9.041 1.00 0.43 H new ATOM 0 HA ASN A 5 0.195 5.915 6.817 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -1.847 4.845 8.120 1.00 0.40 H new ATOM 0 HB3 ASN A 5 -0.220 4.768 8.765 1.00 0.40 H new ATOM 0 HD21 ASN A 5 -1.586 5.930 11.789 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -0.881 4.576 10.900 1.00 0.53 H new ATOM 73 N ARG A 6 -2.220 8.026 6.737 1.00 0.35 N ATOM 74 CA ARG A 6 -3.262 8.579 5.894 1.00 0.34 C ATOM 75 C ARG A 6 -2.774 8.657 4.452 1.00 0.31 C ATOM 76 O ARG A 6 -3.473 8.248 3.530 1.00 0.30 O ATOM 77 CB ARG A 6 -3.666 9.964 6.414 1.00 0.41 C ATOM 78 CG ARG A 6 -4.662 10.694 5.531 1.00 0.59 C ATOM 79 CD ARG A 6 -5.894 9.851 5.255 1.00 0.41 C ATOM 80 NE ARG A 6 -6.677 9.579 6.463 1.00 0.68 N ATOM 81 CZ ARG A 6 -7.748 10.287 6.834 1.00 0.69 C ATOM 82 NH1 ARG A 6 -8.058 11.418 6.213 1.00 1.40 N ATOM 83 NH2 ARG A 6 -8.475 9.891 7.866 1.00 0.93 N ATOM 0 H ARG A 6 -1.912 8.648 7.484 1.00 0.35 H new ATOM 0 HA ARG A 6 -4.138 7.931 5.923 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -4.093 9.855 7.411 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -2.770 10.577 6.516 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -4.959 11.626 6.012 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -4.185 10.960 4.588 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -6.523 10.363 4.527 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -5.589 8.906 4.805 1.00 0.41 H new ATOM 0 HE ARG A 6 -6.387 8.802 7.057 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -7.477 11.754 5.445 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -8.878 11.951 6.504 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -8.218 9.047 8.377 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -9.293 10.430 8.151 1.00 0.93 H new ATOM 97 N GLU A 7 -1.555 9.146 4.281 1.00 0.30 N ATOM 98 CA GLU A 7 -0.950 9.278 2.962 1.00 0.29 C ATOM 99 C GLU A 7 -0.849 7.938 2.268 1.00 0.25 C ATOM 100 O GLU A 7 -1.267 7.789 1.127 1.00 0.26 O ATOM 101 CB GLU A 7 0.451 9.858 3.070 1.00 0.31 C ATOM 102 CG GLU A 7 0.485 11.280 3.553 1.00 0.40 C ATOM 103 CD GLU A 7 1.868 11.874 3.454 1.00 0.51 C ATOM 104 OE1 GLU A 7 2.299 12.215 2.335 1.00 0.68 O ATOM 105 OE2 GLU A 7 2.514 12.029 4.514 1.00 0.53 O ATOM 0 H GLU A 7 -0.959 9.461 5.047 1.00 0.30 H new ATOM 0 HA GLU A 7 -1.591 9.943 2.383 1.00 0.29 H new ATOM 0 HB2 GLU A 7 1.038 9.240 3.749 1.00 0.31 H new ATOM 0 HB3 GLU A 7 0.932 9.805 2.093 1.00 0.31 H new ATOM 0 HG2 GLU A 7 -0.211 11.880 2.966 1.00 0.40 H new ATOM 0 HG3 GLU A 7 0.146 11.320 4.588 1.00 0.40 H new ATOM 112 N LEU A 8 -0.249 6.983 2.967 1.00 0.26 N ATOM 113 CA LEU A 8 -0.075 5.628 2.487 1.00 0.27 C ATOM 114 C LEU A 8 -1.362 5.085 1.865 1.00 0.28 C ATOM 115 O LEU A 8 -1.326 4.381 0.862 1.00 0.40 O ATOM 116 CB LEU A 8 0.374 4.764 3.667 1.00 0.34 C ATOM 117 CG LEU A 8 1.849 4.910 4.092 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.348 6.357 4.057 1.00 1.00 C ATOM 119 CD2 LEU A 8 2.061 4.322 5.479 1.00 1.16 C ATOM 0 H LEU A 8 0.135 7.136 3.899 1.00 0.26 H new ATOM 0 HA LEU A 8 0.680 5.610 1.701 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.255 5.001 4.525 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.191 3.719 3.416 1.00 0.34 H new ATOM 0 HG LEU A 8 2.436 4.356 3.360 1.00 0.41 H new ATOM 0 HD11 LEU A 8 3.392 6.389 4.367 1.00 1.00 H new ATOM 0 HD12 LEU A 8 2.258 6.748 3.044 1.00 1.00 H new ATOM 0 HD13 LEU A 8 1.749 6.965 4.735 1.00 1.00 H new ATOM 0 HD21 LEU A 8 3.107 4.433 5.765 1.00 1.16 H new ATOM 0 HD22 LEU A 8 1.431 4.847 6.197 1.00 1.16 H new ATOM 0 HD23 LEU A 8 1.797 3.264 5.470 1.00 1.16 H new ATOM 131 N VAL A 9 -2.490 5.441 2.459 1.00 0.23 N ATOM 132 CA VAL A 9 -3.789 5.083 1.916 1.00 0.23 C ATOM 133 C VAL A 9 -4.142 5.978 0.726 1.00 0.23 C ATOM 134 O VAL A 9 -4.293 5.508 -0.403 1.00 0.24 O ATOM 135 CB VAL A 9 -4.872 5.220 3.003 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.262 5.010 2.429 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.604 4.239 4.131 1.00 0.27 C ATOM 0 H VAL A 9 -2.531 5.981 3.323 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.745 4.048 1.577 1.00 0.23 H new ATOM 0 HB VAL A 9 -4.830 6.235 3.399 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -7.003 5.113 3.222 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.452 5.754 1.655 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.330 4.012 1.997 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.375 4.343 4.895 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.617 3.222 3.739 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.628 4.447 4.570 1.00 0.27 H new ATOM 147 N VAL A 10 -4.259 7.272 1.002 1.00 0.23 N ATOM 148 CA VAL A 10 -4.696 8.263 0.019 1.00 0.25 C ATOM 149 C VAL A 10 -3.898 8.203 -1.275 1.00 0.25 C ATOM 150 O VAL A 10 -4.479 8.164 -2.364 1.00 0.27 O ATOM 151 CB VAL A 10 -4.575 9.679 0.600 1.00 0.28 C ATOM 152 CG1 VAL A 10 -4.998 10.722 -0.412 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.402 9.790 1.857 1.00 0.32 C ATOM 0 H VAL A 10 -4.053 7.668 1.919 1.00 0.23 H new ATOM 0 HA VAL A 10 -5.735 8.027 -0.211 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.529 9.863 0.847 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -4.902 11.715 0.027 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -4.362 10.652 -1.294 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -6.036 10.551 -0.699 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -5.312 10.797 2.264 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.447 9.585 1.624 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -5.046 9.068 2.592 1.00 0.32 H new ATOM 163 N ASP A 11 -2.576 8.204 -1.149 1.00 0.26 N ATOM 164 CA ASP A 11 -1.683 8.251 -2.300 1.00 0.28 C ATOM 165 C ASP A 11 -2.010 7.131 -3.280 1.00 0.31 C ATOM 166 O ASP A 11 -1.890 7.298 -4.496 1.00 0.35 O ATOM 167 CB ASP A 11 -0.228 8.135 -1.839 1.00 0.32 C ATOM 168 CG ASP A 11 0.751 8.764 -2.810 1.00 0.39 C ATOM 169 OD1 ASP A 11 0.840 8.278 -3.959 1.00 0.49 O ATOM 170 OD2 ASP A 11 1.429 9.745 -2.447 1.00 0.59 O ATOM 0 H ASP A 11 -2.095 8.172 -0.250 1.00 0.26 H new ATOM 0 HA ASP A 11 -1.823 9.206 -2.807 1.00 0.28 H new ATOM 0 HB2 ASP A 11 -0.122 8.612 -0.864 1.00 0.32 H new ATOM 0 HB3 ASP A 11 0.023 7.082 -1.708 1.00 0.32 H new ATOM 175 N PHE A 12 -2.461 6.000 -2.751 1.00 0.32 N ATOM 176 CA PHE A 12 -2.785 4.864 -3.588 1.00 0.38 C ATOM 177 C PHE A 12 -4.193 4.970 -4.153 1.00 0.34 C ATOM 178 O PHE A 12 -4.395 4.704 -5.336 1.00 0.39 O ATOM 179 CB PHE A 12 -2.639 3.550 -2.837 1.00 0.46 C ATOM 180 CG PHE A 12 -2.754 2.355 -3.741 1.00 0.76 C ATOM 181 CD1 PHE A 12 -1.656 1.888 -4.443 1.00 1.24 C ATOM 182 CD2 PHE A 12 -3.962 1.689 -3.876 1.00 0.98 C ATOM 183 CE1 PHE A 12 -1.762 0.784 -5.262 1.00 1.61 C ATOM 184 CE2 PHE A 12 -4.073 0.584 -4.694 1.00 1.38 C ATOM 185 CZ PHE A 12 -2.963 0.162 -5.430 1.00 1.61 C ATOM 0 H PHE A 12 -2.608 5.851 -1.753 1.00 0.32 H new ATOM 0 HA PHE A 12 -2.072 4.876 -4.412 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -1.673 3.529 -2.333 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -3.404 3.491 -2.063 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -0.706 2.394 -4.348 1.00 1.24 H new ATOM 0 HD2 PHE A 12 -4.828 2.040 -3.334 1.00 0.98 H new ATOM 0 HE1 PHE A 12 -0.888 0.410 -5.774 1.00 1.61 H new ATOM 0 HE2 PHE A 12 -5.009 0.050 -4.765 1.00 1.38 H new ATOM 0 HZ PHE A 12 -3.056 -0.655 -6.130 1.00 1.61 H new ATOM 195 N LEU A 13 -5.174 5.342 -3.326 1.00 0.28 N ATOM 196 CA LEU A 13 -6.541 5.465 -3.823 1.00 0.28 C ATOM 197 C LEU A 13 -6.590 6.467 -4.968 1.00 0.30 C ATOM 198 O LEU A 13 -7.245 6.230 -5.983 1.00 0.34 O ATOM 199 CB LEU A 13 -7.530 5.863 -2.717 1.00 0.25 C ATOM 200 CG LEU A 13 -8.080 4.696 -1.888 1.00 0.26 C ATOM 201 CD1 LEU A 13 -7.165 4.347 -0.742 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.476 5.001 -1.376 1.00 0.27 C ATOM 0 H LEU A 13 -5.051 5.557 -2.337 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.848 4.484 -4.186 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -7.037 6.565 -2.045 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.367 6.392 -3.172 1.00 0.25 H new ATOM 0 HG LEU A 13 -8.134 3.830 -2.548 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.589 3.516 -0.178 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.188 4.061 -1.131 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -7.056 5.212 -0.087 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.842 4.157 -0.792 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -9.447 5.892 -0.748 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -10.143 5.174 -2.220 1.00 0.27 H new ATOM 214 N SER A 14 -5.848 7.557 -4.819 1.00 0.29 N ATOM 215 CA SER A 14 -5.746 8.572 -5.861 1.00 0.33 C ATOM 216 C SER A 14 -5.158 7.965 -7.139 1.00 0.37 C ATOM 217 O SER A 14 -5.623 8.241 -8.249 1.00 0.42 O ATOM 218 CB SER A 14 -4.875 9.737 -5.373 1.00 0.33 C ATOM 219 OG SER A 14 -4.891 10.822 -6.287 1.00 1.05 O ATOM 0 H SER A 14 -5.304 7.762 -3.981 1.00 0.29 H new ATOM 0 HA SER A 14 -6.744 8.949 -6.086 1.00 0.33 H new ATOM 0 HB2 SER A 14 -5.231 10.075 -4.400 1.00 0.33 H new ATOM 0 HB3 SER A 14 -3.850 9.392 -5.235 1.00 0.33 H new ATOM 0 HG SER A 14 -4.327 11.547 -5.944 1.00 1.05 H new ATOM 225 N TYR A 15 -4.156 7.114 -6.966 1.00 0.37 N ATOM 226 CA TYR A 15 -3.472 6.473 -8.084 1.00 0.45 C ATOM 227 C TYR A 15 -4.342 5.387 -8.719 1.00 0.43 C ATOM 228 O TYR A 15 -4.198 5.074 -9.901 1.00 0.55 O ATOM 229 CB TYR A 15 -2.146 5.876 -7.597 1.00 0.52 C ATOM 230 CG TYR A 15 -1.379 5.103 -8.650 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.674 5.769 -9.646 1.00 0.72 C ATOM 232 CD2 TYR A 15 -1.368 3.715 -8.654 1.00 0.89 C ATOM 233 CE1 TYR A 15 0.022 5.073 -10.615 1.00 0.89 C ATOM 234 CE2 TYR A 15 -0.675 3.011 -9.622 1.00 1.06 C ATOM 235 CZ TYR A 15 0.039 3.678 -10.571 1.00 1.03 C ATOM 236 OH TYR A 15 0.703 2.994 -11.567 1.00 1.22 O ATOM 0 H TYR A 15 -3.794 6.848 -6.050 1.00 0.37 H new ATOM 0 HA TYR A 15 -3.275 7.226 -8.847 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.514 6.683 -7.225 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.348 5.215 -6.754 1.00 0.52 H new ATOM 0 HD1 TYR A 15 -0.670 6.849 -9.662 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -1.909 3.177 -7.890 1.00 0.89 H new ATOM 0 HE1 TYR A 15 0.547 5.602 -11.397 1.00 0.89 H new ATOM 0 HE2 TYR A 15 -0.700 1.931 -9.625 1.00 1.06 H new ATOM 0 HH TYR A 15 0.632 2.030 -11.405 1.00 1.22 H new ATOM 246 N LYS A 16 -5.259 4.829 -7.942 1.00 0.33 N ATOM 247 CA LYS A 16 -6.058 3.726 -8.383 1.00 0.33 C ATOM 248 C LYS A 16 -7.175 4.219 -9.286 1.00 0.33 C ATOM 249 O LYS A 16 -7.383 3.704 -10.378 1.00 0.42 O ATOM 250 CB LYS A 16 -6.620 3.029 -7.157 1.00 0.34 C ATOM 251 CG LYS A 16 -7.193 1.669 -7.447 1.00 0.61 C ATOM 252 CD LYS A 16 -6.124 0.583 -7.529 1.00 0.57 C ATOM 253 CE LYS A 16 -5.218 0.748 -8.738 1.00 1.18 C ATOM 254 NZ LYS A 16 -4.460 -0.496 -9.041 1.00 1.41 N ATOM 0 H LYS A 16 -5.460 5.138 -6.991 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.454 3.024 -8.958 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -5.831 2.930 -6.412 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -7.397 3.655 -6.718 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -7.910 1.408 -6.669 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -7.742 1.704 -8.388 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -5.521 0.603 -6.621 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -6.606 -0.394 -7.571 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -5.817 1.027 -9.605 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -4.518 1.564 -8.558 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -3.440 -0.312 -8.952 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -4.737 -1.243 -8.372 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -4.672 -0.804 -10.011 1.00 1.41 H new ATOM 268 N LEU A 17 -7.889 5.221 -8.811 1.00 0.33 N ATOM 269 CA LEU A 17 -8.904 5.905 -9.592 1.00 0.32 C ATOM 270 C LEU A 17 -8.332 6.432 -10.901 1.00 0.35 C ATOM 271 O LEU A 17 -9.033 6.520 -11.912 1.00 0.36 O ATOM 272 CB LEU A 17 -9.433 7.034 -8.740 1.00 0.35 C ATOM 273 CG LEU A 17 -9.995 6.536 -7.425 1.00 0.53 C ATOM 274 CD1 LEU A 17 -9.983 7.618 -6.375 1.00 1.35 C ATOM 275 CD2 LEU A 17 -11.382 5.990 -7.645 1.00 1.15 C ATOM 0 H LEU A 17 -7.781 5.587 -7.865 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.705 5.216 -9.860 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -8.632 7.747 -8.545 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -10.210 7.568 -9.287 1.00 0.35 H new ATOM 0 HG LEU A 17 -9.359 5.733 -7.052 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -10.393 7.226 -5.444 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -8.959 7.952 -6.208 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -10.588 8.459 -6.712 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -11.786 5.632 -6.698 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -12.025 6.777 -8.039 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -11.340 5.166 -8.357 1.00 1.15 H new ATOM 287 N SER A 18 -7.049 6.756 -10.872 1.00 0.41 N ATOM 288 CA SER A 18 -6.349 7.279 -12.032 1.00 0.48 C ATOM 289 C SER A 18 -6.358 6.286 -13.202 1.00 0.51 C ATOM 290 O SER A 18 -6.348 6.698 -14.362 1.00 0.58 O ATOM 291 CB SER A 18 -4.909 7.635 -11.646 1.00 0.57 C ATOM 292 OG SER A 18 -4.211 8.236 -12.723 1.00 0.94 O ATOM 0 H SER A 18 -6.464 6.663 -10.042 1.00 0.41 H new ATOM 0 HA SER A 18 -6.872 8.176 -12.365 1.00 0.48 H new ATOM 0 HB2 SER A 18 -4.918 8.315 -10.794 1.00 0.57 H new ATOM 0 HB3 SER A 18 -4.384 6.734 -11.330 1.00 0.57 H new ATOM 0 HG SER A 18 -3.297 8.451 -12.441 1.00 0.94 H new ATOM 298 N GLN A 19 -6.412 4.983 -12.911 1.00 0.52 N ATOM 299 CA GLN A 19 -6.358 3.976 -13.969 1.00 0.57 C ATOM 300 C GLN A 19 -7.681 3.897 -14.711 1.00 0.51 C ATOM 301 O GLN A 19 -7.763 3.353 -15.814 1.00 0.59 O ATOM 302 CB GLN A 19 -5.994 2.599 -13.410 1.00 0.68 C ATOM 303 CG GLN A 19 -7.116 1.936 -12.660 1.00 0.84 C ATOM 304 CD GLN A 19 -6.848 0.478 -12.358 1.00 0.97 C ATOM 305 OE1 GLN A 19 -6.148 -0.207 -13.101 1.00 1.37 O ATOM 306 NE2 GLN A 19 -7.408 -0.008 -11.266 1.00 1.19 N ATOM 0 H GLN A 19 -6.492 4.607 -11.966 1.00 0.52 H new ATOM 0 HA GLN A 19 -5.579 4.282 -14.667 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -5.686 1.953 -14.232 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -5.135 2.701 -12.746 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -7.285 2.470 -11.725 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -8.033 2.017 -13.243 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -7.982 0.594 -10.676 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -7.267 -0.986 -11.012 1.00 1.19 H new ATOM 315 N LYS A 20 -8.708 4.447 -14.098 1.00 0.45 N ATOM 316 CA LYS A 20 -10.032 4.465 -14.687 1.00 0.49 C ATOM 317 C LYS A 20 -10.273 5.828 -15.286 1.00 0.48 C ATOM 318 O LYS A 20 -11.082 6.011 -16.194 1.00 0.53 O ATOM 319 CB LYS A 20 -11.082 4.185 -13.636 1.00 0.57 C ATOM 320 CG LYS A 20 -10.561 3.597 -12.354 1.00 0.49 C ATOM 321 CD LYS A 20 -11.419 4.088 -11.235 1.00 1.20 C ATOM 322 CE LYS A 20 -12.883 4.092 -11.657 1.00 1.75 C ATOM 323 NZ LYS A 20 -13.437 2.738 -11.957 1.00 2.20 N ATOM 0 H LYS A 20 -8.650 4.892 -13.182 1.00 0.45 H new ATOM 0 HA LYS A 20 -10.097 3.695 -15.455 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -11.601 5.116 -13.406 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -11.821 3.503 -14.056 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -10.581 2.508 -12.399 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -9.523 3.890 -12.195 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -11.287 3.452 -10.360 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -11.113 5.094 -10.947 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -13.477 4.548 -10.865 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -12.993 4.721 -12.540 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -14.147 2.813 -12.713 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -12.668 2.109 -12.266 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -13.881 2.347 -11.102 1.00 2.20 H new ATOM 337 N GLY A 21 -9.538 6.778 -14.749 1.00 0.45 N ATOM 338 CA GLY A 21 -9.596 8.138 -15.219 1.00 0.49 C ATOM 339 C GLY A 21 -10.419 9.027 -14.315 1.00 0.47 C ATOM 340 O GLY A 21 -10.983 10.030 -14.755 1.00 0.53 O ATOM 0 H GLY A 21 -8.887 6.627 -13.978 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -8.584 8.537 -15.293 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -10.019 8.154 -16.223 1.00 0.49 H new ATOM 344 N TYR A 22 -10.496 8.651 -13.049 1.00 0.40 N ATOM 345 CA TYR A 22 -11.198 9.456 -12.059 1.00 0.37 C ATOM 346 C TYR A 22 -10.223 10.037 -11.045 1.00 0.36 C ATOM 347 O TYR A 22 -9.064 9.625 -10.984 1.00 0.38 O ATOM 348 CB TYR A 22 -12.271 8.635 -11.348 1.00 0.34 C ATOM 349 CG TYR A 22 -13.413 8.241 -12.256 1.00 0.38 C ATOM 350 CD1 TYR A 22 -13.319 7.129 -13.081 1.00 0.50 C ATOM 351 CD2 TYR A 22 -14.580 8.993 -12.300 1.00 0.50 C ATOM 352 CE1 TYR A 22 -14.354 6.774 -13.921 1.00 0.60 C ATOM 353 CE2 TYR A 22 -15.619 8.646 -13.140 1.00 0.62 C ATOM 354 CZ TYR A 22 -15.501 7.535 -13.948 1.00 0.62 C ATOM 355 OH TYR A 22 -16.532 7.190 -14.792 1.00 0.76 O ATOM 0 H TYR A 22 -10.082 7.794 -12.681 1.00 0.40 H new ATOM 0 HA TYR A 22 -11.685 10.278 -12.583 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.817 7.735 -10.934 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.663 9.209 -10.509 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -12.420 6.531 -13.065 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -14.676 9.863 -11.667 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -14.265 5.904 -14.554 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -16.520 9.242 -13.164 1.00 0.62 H new ATOM 0 HH TYR A 22 -17.268 7.829 -14.688 1.00 0.76 H new ATOM 365 N SER A 23 -10.692 10.998 -10.266 1.00 0.37 N ATOM 366 CA SER A 23 -9.853 11.658 -9.286 1.00 0.39 C ATOM 367 C SER A 23 -10.258 11.256 -7.876 1.00 0.35 C ATOM 368 O SER A 23 -11.419 10.946 -7.619 1.00 0.34 O ATOM 369 CB SER A 23 -9.985 13.169 -9.436 1.00 0.45 C ATOM 370 OG SER A 23 -8.914 13.850 -8.808 1.00 0.52 O ATOM 0 H SER A 23 -11.653 11.338 -10.296 1.00 0.37 H new ATOM 0 HA SER A 23 -8.819 11.357 -9.455 1.00 0.39 H new ATOM 0 HB2 SER A 23 -10.012 13.429 -10.494 1.00 0.45 H new ATOM 0 HB3 SER A 23 -10.930 13.497 -9.003 1.00 0.45 H new ATOM 0 HG SER A 23 -9.028 14.816 -8.924 1.00 0.52 H new ATOM 376 N TRP A 24 -9.297 11.276 -6.967 1.00 0.37 N ATOM 377 CA TRP A 24 -9.573 11.013 -5.567 1.00 0.36 C ATOM 378 C TRP A 24 -10.256 12.216 -4.926 1.00 0.35 C ATOM 379 O TRP A 24 -11.331 12.095 -4.336 1.00 0.34 O ATOM 380 CB TRP A 24 -8.273 10.669 -4.822 1.00 0.45 C ATOM 381 CG TRP A 24 -8.284 11.072 -3.376 1.00 0.43 C ATOM 382 CD1 TRP A 24 -8.921 10.444 -2.346 1.00 0.96 C ATOM 383 CD2 TRP A 24 -7.633 12.214 -2.809 1.00 1.27 C ATOM 384 NE1 TRP A 24 -8.721 11.142 -1.180 1.00 0.61 N ATOM 385 CE2 TRP A 24 -7.930 12.226 -1.439 1.00 1.10 C ATOM 386 CE3 TRP A 24 -6.831 13.231 -3.332 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -7.455 13.215 -0.584 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -6.360 14.210 -2.482 1.00 3.36 C ATOM 389 CH2 TRP A 24 -6.673 14.196 -1.122 1.00 3.13 C ATOM 0 H TRP A 24 -8.318 11.472 -7.175 1.00 0.37 H new ATOM 0 HA TRP A 24 -10.246 10.158 -5.498 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -8.099 9.595 -4.890 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -7.437 11.160 -5.321 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -9.496 9.534 -2.434 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -9.102 10.892 -0.267 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -6.584 13.250 -4.383 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -7.696 13.207 0.469 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -5.739 15.001 -2.876 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -6.289 14.977 -0.482 1.00 3.13 H new ATOM 400 N SER A 25 -9.645 13.383 -5.072 1.00 0.39 N ATOM 401 CA SER A 25 -10.102 14.571 -4.370 1.00 0.44 C ATOM 402 C SER A 25 -11.408 15.098 -4.955 1.00 0.43 C ATOM 403 O SER A 25 -12.117 15.862 -4.306 1.00 0.49 O ATOM 404 CB SER A 25 -9.025 15.654 -4.401 1.00 0.53 C ATOM 405 OG SER A 25 -9.383 16.769 -3.599 1.00 1.37 O ATOM 0 H SER A 25 -8.832 13.531 -5.670 1.00 0.39 H new ATOM 0 HA SER A 25 -10.293 14.294 -3.333 1.00 0.44 H new ATOM 0 HB2 SER A 25 -8.081 15.239 -4.048 1.00 0.53 H new ATOM 0 HB3 SER A 25 -8.866 15.980 -5.429 1.00 0.53 H new ATOM 0 HG SER A 25 -10.177 17.202 -3.976 1.00 1.37 H new ATOM 411 N GLN A 26 -11.738 14.695 -6.178 1.00 0.40 N ATOM 412 CA GLN A 26 -13.025 15.063 -6.747 1.00 0.42 C ATOM 413 C GLN A 26 -14.165 14.418 -5.968 1.00 0.38 C ATOM 414 O GLN A 26 -15.304 14.885 -6.003 1.00 0.41 O ATOM 415 CB GLN A 26 -13.111 14.673 -8.215 1.00 0.47 C ATOM 416 CG GLN A 26 -12.342 15.603 -9.119 1.00 0.59 C ATOM 417 CD GLN A 26 -12.682 15.387 -10.573 1.00 0.73 C ATOM 418 OE1 GLN A 26 -13.796 14.986 -10.908 1.00 1.11 O ATOM 419 NE2 GLN A 26 -11.732 15.639 -11.444 1.00 1.10 N ATOM 0 H GLN A 26 -11.145 14.126 -6.782 1.00 0.40 H new ATOM 0 HA GLN A 26 -13.118 16.147 -6.674 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -12.731 13.659 -8.338 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -14.157 14.661 -8.521 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -12.559 16.636 -8.846 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -11.273 15.451 -8.970 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -10.822 15.970 -11.124 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -11.904 15.504 -12.440 1.00 1.10 H new ATOM 428 N PHE A 27 -13.849 13.335 -5.273 1.00 0.35 N ATOM 429 CA PHE A 27 -14.834 12.617 -4.487 1.00 0.38 C ATOM 430 C PHE A 27 -14.587 12.815 -2.993 1.00 0.43 C ATOM 431 O PHE A 27 -15.527 12.853 -2.196 1.00 0.67 O ATOM 432 CB PHE A 27 -14.788 11.128 -4.836 1.00 0.43 C ATOM 433 CG PHE A 27 -14.949 10.848 -6.306 1.00 0.67 C ATOM 434 CD1 PHE A 27 -15.852 11.571 -7.071 1.00 0.85 C ATOM 435 CD2 PHE A 27 -14.186 9.871 -6.924 1.00 0.94 C ATOM 436 CE1 PHE A 27 -15.993 11.321 -8.422 1.00 1.16 C ATOM 437 CE2 PHE A 27 -14.322 9.618 -8.276 1.00 1.20 C ATOM 438 CZ PHE A 27 -15.226 10.344 -9.026 1.00 1.28 C ATOM 0 H PHE A 27 -12.911 12.935 -5.239 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.822 13.012 -4.723 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -13.838 10.713 -4.498 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.575 10.610 -4.288 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -16.452 12.339 -6.605 1.00 0.85 H new ATOM 0 HD2 PHE A 27 -13.477 9.300 -6.343 1.00 0.94 H new ATOM 0 HE1 PHE A 27 -16.702 11.889 -9.006 1.00 1.16 H new ATOM 0 HE2 PHE A 27 -13.722 8.853 -8.746 1.00 1.20 H new ATOM 0 HZ PHE A 27 -15.333 10.148 -10.083 1.00 1.28 H new ATOM 448 N SER A 28 -13.318 12.932 -2.620 1.00 0.39 N ATOM 449 CA SER A 28 -12.946 13.065 -1.220 1.00 0.42 C ATOM 450 C SER A 28 -12.624 14.502 -0.848 1.00 0.58 C ATOM 451 O SER A 28 -12.020 15.245 -1.612 1.00 1.01 O ATOM 452 CB SER A 28 -11.746 12.190 -0.908 1.00 0.62 C ATOM 453 OG SER A 28 -11.931 10.874 -1.397 1.00 1.81 O ATOM 0 H SER A 28 -12.531 12.937 -3.269 1.00 0.39 H new ATOM 0 HA SER A 28 -13.806 12.745 -0.631 1.00 0.42 H new ATOM 0 HB2 SER A 28 -10.851 12.624 -1.353 1.00 0.62 H new ATOM 0 HB3 SER A 28 -11.584 12.161 0.170 1.00 0.62 H new ATOM 0 HG SER A 28 -11.084 10.536 -1.755 1.00 1.81 H new ATOM 459 N ASP A 29 -13.004 14.842 0.362 1.00 0.63 N ATOM 460 CA ASP A 29 -12.803 16.166 0.928 1.00 0.84 C ATOM 461 C ASP A 29 -11.717 16.100 1.997 1.00 0.88 C ATOM 462 O ASP A 29 -11.228 17.118 2.488 1.00 1.03 O ATOM 463 CB ASP A 29 -14.126 16.626 1.537 1.00 1.04 C ATOM 464 CG ASP A 29 -14.065 17.986 2.206 1.00 1.69 C ATOM 465 OD1 ASP A 29 -13.770 18.046 3.420 1.00 2.31 O ATOM 466 OD2 ASP A 29 -14.352 18.999 1.531 1.00 1.85 O ATOM 0 H ASP A 29 -13.472 14.196 0.998 1.00 0.63 H new ATOM 0 HA ASP A 29 -12.487 16.872 0.160 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -14.883 16.653 0.754 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -14.452 15.888 2.270 1.00 1.04 H new ATOM 471 N VAL A 30 -11.315 14.868 2.285 1.00 0.80 N ATOM 472 CA VAL A 30 -10.445 14.538 3.410 1.00 0.82 C ATOM 473 C VAL A 30 -9.149 15.354 3.421 1.00 0.82 C ATOM 474 O VAL A 30 -8.999 16.255 4.237 1.00 0.92 O ATOM 475 CB VAL A 30 -10.128 13.028 3.381 1.00 0.81 C ATOM 476 CG1 VAL A 30 -11.321 12.228 3.879 1.00 0.89 C ATOM 477 CG2 VAL A 30 -9.761 12.594 1.970 1.00 0.76 C ATOM 0 H VAL A 30 -11.589 14.055 1.734 1.00 0.80 H new ATOM 0 HA VAL A 30 -10.978 14.795 4.325 1.00 0.82 H new ATOM 0 HB VAL A 30 -9.280 12.839 4.039 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -11.083 11.165 3.853 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -11.555 12.522 4.902 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -12.182 12.423 3.240 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -9.540 11.527 1.964 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -10.596 12.796 1.299 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -8.884 13.148 1.635 1.00 0.76 H new ATOM 487 N GLU A 31 -8.228 15.052 2.518 1.00 0.78 N ATOM 488 CA GLU A 31 -6.982 15.802 2.433 1.00 0.83 C ATOM 489 C GLU A 31 -7.159 16.942 1.448 1.00 0.88 C ATOM 490 O GLU A 31 -6.228 17.694 1.158 1.00 0.98 O ATOM 491 CB GLU A 31 -5.812 14.913 1.999 1.00 0.93 C ATOM 492 CG GLU A 31 -5.685 13.618 2.786 1.00 1.05 C ATOM 493 CD GLU A 31 -5.764 13.820 4.284 1.00 2.05 C ATOM 494 OE1 GLU A 31 -4.843 14.430 4.864 1.00 2.46 O ATOM 495 OE2 GLU A 31 -6.752 13.348 4.884 1.00 2.74 O ATOM 0 H GLU A 31 -8.318 14.298 1.837 1.00 0.78 H new ATOM 0 HA GLU A 31 -6.746 16.191 3.423 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -5.926 14.672 0.942 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -4.885 15.478 2.099 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -6.474 12.933 2.476 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -4.736 13.142 2.540 1.00 1.05 H new ATOM 502 N GLU A 32 -8.369 17.035 0.916 1.00 0.87 N ATOM 503 CA GLU A 32 -8.717 18.073 -0.029 1.00 0.98 C ATOM 504 C GLU A 32 -8.648 19.439 0.641 1.00 1.09 C ATOM 505 O GLU A 32 -8.108 20.395 0.084 1.00 1.24 O ATOM 506 CB GLU A 32 -10.117 17.822 -0.596 1.00 0.98 C ATOM 507 CG GLU A 32 -10.679 19.008 -1.367 1.00 1.12 C ATOM 508 CD GLU A 32 -11.872 18.650 -2.226 1.00 1.20 C ATOM 509 OE1 GLU A 32 -12.955 18.386 -1.671 1.00 1.17 O ATOM 510 OE2 GLU A 32 -11.735 18.662 -3.469 1.00 1.45 O ATOM 0 H GLU A 32 -9.132 16.392 1.130 1.00 0.87 H new ATOM 0 HA GLU A 32 -8.002 18.056 -0.852 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -10.084 16.953 -1.254 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -10.794 17.577 0.223 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -10.968 19.787 -0.662 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -9.896 19.425 -2.000 1.00 1.12 H new ATOM 630 N THR A 41 6.228 13.277 5.004 1.00 1.12 N ATOM 631 CA THR A 41 7.284 13.486 5.971 1.00 0.86 C ATOM 632 C THR A 41 8.214 12.258 6.015 1.00 0.75 C ATOM 633 O THR A 41 9.353 12.326 5.542 1.00 0.85 O ATOM 634 CB THR A 41 6.731 13.845 7.375 1.00 0.80 C ATOM 635 OG1 THR A 41 7.757 13.742 8.369 1.00 0.95 O ATOM 636 CG2 THR A 41 5.549 12.979 7.759 1.00 0.91 C ATOM 0 HA THR A 41 7.870 14.347 5.649 1.00 0.86 H new ATOM 0 HB THR A 41 6.386 14.878 7.325 1.00 0.80 H new ATOM 0 HG1 THR A 41 7.387 13.974 9.246 1.00 0.95 H new ATOM 0 HG21 THR A 41 5.195 13.265 8.749 1.00 0.91 H new ATOM 0 HG22 THR A 41 4.747 13.115 7.033 1.00 0.91 H new ATOM 0 HG23 THR A 41 5.853 11.932 7.771 1.00 0.91 H new ATOM 644 N GLU A 42 7.742 11.143 6.576 1.00 0.69 N ATOM 645 CA GLU A 42 8.428 9.869 6.471 1.00 0.66 C ATOM 646 C GLU A 42 7.898 9.108 5.266 1.00 0.54 C ATOM 647 O GLU A 42 8.634 8.396 4.577 1.00 0.56 O ATOM 648 CB GLU A 42 8.187 9.042 7.738 1.00 0.74 C ATOM 649 CG GLU A 42 6.728 8.628 7.952 1.00 0.65 C ATOM 650 CD GLU A 42 5.795 9.790 8.081 1.00 1.20 C ATOM 651 OE1 GLU A 42 5.607 10.282 9.211 1.00 1.17 O ATOM 652 OE2 GLU A 42 5.246 10.225 7.055 1.00 2.02 O ATOM 0 H GLU A 42 6.875 11.105 7.113 1.00 0.69 H new ATOM 0 HA GLU A 42 9.497 10.046 6.354 1.00 0.66 H new ATOM 0 HB2 GLU A 42 8.805 8.145 7.695 1.00 0.74 H new ATOM 0 HB3 GLU A 42 8.520 9.617 8.602 1.00 0.74 H new ATOM 0 HG2 GLU A 42 6.408 8.005 7.116 1.00 0.65 H new ATOM 0 HG3 GLU A 42 6.660 8.015 8.851 1.00 0.65 H new ATOM 659 N SER A 43 6.602 9.294 5.038 1.00 0.48 N ATOM 660 CA SER A 43 5.829 8.544 4.066 1.00 0.43 C ATOM 661 C SER A 43 6.505 8.458 2.721 1.00 0.43 C ATOM 662 O SER A 43 6.459 7.413 2.105 1.00 0.49 O ATOM 663 CB SER A 43 4.459 9.179 3.899 1.00 0.50 C ATOM 664 OG SER A 43 4.586 10.578 3.793 1.00 1.25 O ATOM 0 H SER A 43 6.050 9.990 5.540 1.00 0.48 H new ATOM 0 HA SER A 43 5.737 7.528 4.450 1.00 0.43 H new ATOM 0 HB2 SER A 43 3.971 8.781 3.009 1.00 0.50 H new ATOM 0 HB3 SER A 43 3.826 8.926 4.750 1.00 0.50 H new ATOM 0 HG SER A 43 3.973 11.011 4.423 1.00 1.25 H new ATOM 670 N GLU A 44 7.135 9.547 2.290 1.00 0.46 N ATOM 671 CA GLU A 44 7.747 9.624 0.965 1.00 0.52 C ATOM 672 C GLU A 44 8.435 8.317 0.576 1.00 0.51 C ATOM 673 O GLU A 44 8.153 7.764 -0.478 1.00 0.58 O ATOM 674 CB GLU A 44 8.740 10.782 0.914 1.00 0.61 C ATOM 675 CG GLU A 44 9.521 10.863 -0.385 1.00 0.72 C ATOM 676 CD GLU A 44 10.524 11.995 -0.386 1.00 1.17 C ATOM 677 OE1 GLU A 44 11.641 11.807 0.135 1.00 1.91 O ATOM 678 OE2 GLU A 44 10.197 13.083 -0.902 1.00 1.29 O ATOM 0 H GLU A 44 7.236 10.397 2.845 1.00 0.46 H new ATOM 0 HA GLU A 44 6.950 9.799 0.242 1.00 0.52 H new ATOM 0 HB2 GLU A 44 8.201 11.718 1.062 1.00 0.61 H new ATOM 0 HB3 GLU A 44 9.441 10.684 1.743 1.00 0.61 H new ATOM 0 HG2 GLU A 44 10.042 9.920 -0.552 1.00 0.72 H new ATOM 0 HG3 GLU A 44 8.827 10.995 -1.215 1.00 0.72 H new ATOM 685 N ALA A 45 9.289 7.802 1.447 1.00 0.48 N ATOM 686 CA ALA A 45 9.982 6.550 1.174 1.00 0.48 C ATOM 687 C ALA A 45 9.055 5.348 1.355 1.00 0.41 C ATOM 688 O ALA A 45 9.062 4.430 0.536 1.00 0.41 O ATOM 689 CB ALA A 45 11.205 6.414 2.067 1.00 0.52 C ATOM 0 H ALA A 45 9.519 8.228 2.345 1.00 0.48 H new ATOM 0 HA ALA A 45 10.306 6.569 0.133 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.711 5.473 1.850 1.00 0.52 H new ATOM 0 HB2 ALA A 45 11.886 7.244 1.880 1.00 0.52 H new ATOM 0 HB3 ALA A 45 10.896 6.427 3.112 1.00 0.52 H new ATOM 695 N VAL A 46 8.249 5.358 2.414 1.00 0.37 N ATOM 696 CA VAL A 46 7.388 4.215 2.725 1.00 0.34 C ATOM 697 C VAL A 46 6.280 4.040 1.679 1.00 0.34 C ATOM 698 O VAL A 46 6.037 2.929 1.219 1.00 0.39 O ATOM 699 CB VAL A 46 6.793 4.290 4.163 1.00 0.49 C ATOM 700 CG1 VAL A 46 7.188 5.573 4.862 1.00 1.41 C ATOM 701 CG2 VAL A 46 5.282 4.147 4.176 1.00 1.13 C ATOM 0 H VAL A 46 8.173 6.137 3.068 1.00 0.37 H new ATOM 0 HA VAL A 46 8.026 3.332 2.690 1.00 0.34 H new ATOM 0 HB VAL A 46 7.216 3.444 4.706 1.00 0.49 H new ATOM 0 HG11 VAL A 46 6.755 5.591 5.862 1.00 1.41 H new ATOM 0 HG12 VAL A 46 8.274 5.628 4.936 1.00 1.41 H new ATOM 0 HG13 VAL A 46 6.820 6.426 4.292 1.00 1.41 H new ATOM 0 HG21 VAL A 46 4.920 4.206 5.202 1.00 1.13 H new ATOM 0 HG22 VAL A 46 4.836 4.948 3.587 1.00 1.13 H new ATOM 0 HG23 VAL A 46 5.004 3.184 3.748 1.00 1.13 H new ATOM 711 N LYS A 47 5.627 5.133 1.288 1.00 0.34 N ATOM 712 CA LYS A 47 4.584 5.071 0.274 1.00 0.36 C ATOM 713 C LYS A 47 5.207 4.707 -1.067 1.00 0.39 C ATOM 714 O LYS A 47 4.639 3.941 -1.842 1.00 0.43 O ATOM 715 CB LYS A 47 3.831 6.404 0.160 1.00 0.38 C ATOM 716 CG LYS A 47 4.734 7.590 -0.124 1.00 0.49 C ATOM 717 CD LYS A 47 3.962 8.833 -0.512 1.00 0.47 C ATOM 718 CE LYS A 47 2.947 9.237 0.539 1.00 0.47 C ATOM 719 NZ LYS A 47 2.215 10.468 0.136 1.00 0.67 N ATOM 0 H LYS A 47 5.803 6.067 1.658 1.00 0.34 H new ATOM 0 HA LYS A 47 3.863 4.308 0.567 1.00 0.36 H new ATOM 0 HB2 LYS A 47 3.088 6.325 -0.634 1.00 0.38 H new ATOM 0 HB3 LYS A 47 3.288 6.585 1.088 1.00 0.38 H new ATOM 0 HG2 LYS A 47 5.336 7.802 0.759 1.00 0.49 H new ATOM 0 HG3 LYS A 47 5.425 7.331 -0.926 1.00 0.49 H new ATOM 0 HD2 LYS A 47 4.660 9.655 -0.673 1.00 0.47 H new ATOM 0 HD3 LYS A 47 3.450 8.659 -1.459 1.00 0.47 H new ATOM 0 HE2 LYS A 47 2.238 8.424 0.695 1.00 0.47 H new ATOM 0 HE3 LYS A 47 3.452 9.406 1.490 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 2.025 11.050 0.977 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 2.793 11.010 -0.538 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 1.315 10.205 -0.313 1.00 0.67 H new ATOM 733 N GLN A 48 6.384 5.271 -1.327 1.00 0.40 N ATOM 734 CA GLN A 48 7.155 4.919 -2.516 1.00 0.46 C ATOM 735 C GLN A 48 7.465 3.431 -2.563 1.00 0.45 C ATOM 736 O GLN A 48 7.351 2.808 -3.608 1.00 0.50 O ATOM 737 CB GLN A 48 8.460 5.710 -2.596 1.00 0.52 C ATOM 738 CG GLN A 48 8.327 7.022 -3.343 1.00 0.58 C ATOM 739 CD GLN A 48 7.688 6.861 -4.711 1.00 0.67 C ATOM 740 OE1 GLN A 48 7.897 5.712 -5.337 1.00 0.99 O flip ATOM 741 NE2 GLN A 48 7.004 7.756 -5.197 1.00 0.63 N flip ATOM 0 H GLN A 48 6.824 5.972 -0.731 1.00 0.40 H new ATOM 0 HA GLN A 48 6.533 5.177 -3.374 1.00 0.46 H new ATOM 0 HB2 GLN A 48 8.816 5.911 -1.586 1.00 0.52 H new ATOM 0 HB3 GLN A 48 9.217 5.098 -3.085 1.00 0.52 H new ATOM 0 HG2 GLN A 48 7.731 7.714 -2.748 1.00 0.58 H new ATOM 0 HG3 GLN A 48 9.314 7.470 -3.459 1.00 0.58 H new ATOM 0 HE21 GLN A 48 6.865 8.627 -4.685 1.00 0.63 H new ATOM 0 HE22 GLN A 48 6.574 7.629 -6.113 1.00 0.63 H new ATOM 750 N ALA A 49 7.865 2.872 -1.436 1.00 0.42 N ATOM 751 CA ALA A 49 8.157 1.450 -1.358 1.00 0.41 C ATOM 752 C ALA A 49 6.875 0.639 -1.458 1.00 0.39 C ATOM 753 O ALA A 49 6.846 -0.441 -2.053 1.00 0.42 O ATOM 754 CB ALA A 49 8.873 1.138 -0.057 1.00 0.42 C ATOM 0 H ALA A 49 7.996 3.380 -0.561 1.00 0.42 H new ATOM 0 HA ALA A 49 8.804 1.180 -2.192 1.00 0.41 H new ATOM 0 HB1 ALA A 49 9.088 0.071 -0.007 1.00 0.42 H new ATOM 0 HB2 ALA A 49 9.807 1.699 -0.012 1.00 0.42 H new ATOM 0 HB3 ALA A 49 8.239 1.420 0.784 1.00 0.42 H new ATOM 760 N LEU A 50 5.812 1.189 -0.894 1.00 0.38 N ATOM 761 CA LEU A 50 4.534 0.507 -0.814 1.00 0.40 C ATOM 762 C LEU A 50 3.935 0.269 -2.195 1.00 0.41 C ATOM 763 O LEU A 50 3.219 -0.702 -2.399 1.00 0.43 O ATOM 764 CB LEU A 50 3.566 1.316 0.049 1.00 0.45 C ATOM 765 CG LEU A 50 2.770 0.495 1.061 1.00 0.69 C ATOM 766 CD1 LEU A 50 3.716 -0.244 1.990 1.00 1.33 C ATOM 767 CD2 LEU A 50 1.830 1.385 1.857 1.00 1.20 C ATOM 0 H LEU A 50 5.812 2.121 -0.479 1.00 0.38 H new ATOM 0 HA LEU A 50 4.702 -0.468 -0.356 1.00 0.40 H new ATOM 0 HB2 LEU A 50 4.130 2.079 0.585 1.00 0.45 H new ATOM 0 HB3 LEU A 50 2.867 1.837 -0.605 1.00 0.45 H new ATOM 0 HG LEU A 50 2.168 -0.234 0.519 1.00 0.69 H new ATOM 0 HD11 LEU A 50 3.139 -0.827 2.708 1.00 1.33 H new ATOM 0 HD12 LEU A 50 4.351 -0.912 1.407 1.00 1.33 H new ATOM 0 HD13 LEU A 50 4.338 0.475 2.523 1.00 1.33 H new ATOM 0 HD21 LEU A 50 1.273 0.779 2.572 1.00 1.20 H new ATOM 0 HD22 LEU A 50 2.408 2.138 2.393 1.00 1.20 H new ATOM 0 HD23 LEU A 50 1.133 1.877 1.178 1.00 1.20 H new ATOM 779 N ARG A 51 4.254 1.131 -3.153 1.00 0.44 N ATOM 780 CA ARG A 51 3.676 1.007 -4.487 1.00 0.50 C ATOM 781 C ARG A 51 4.511 0.066 -5.331 1.00 0.52 C ATOM 782 O ARG A 51 4.033 -0.513 -6.302 1.00 0.59 O ATOM 783 CB ARG A 51 3.569 2.368 -5.166 1.00 0.53 C ATOM 784 CG ARG A 51 4.791 3.243 -4.971 1.00 0.52 C ATOM 785 CD ARG A 51 4.819 4.389 -5.958 1.00 0.73 C ATOM 786 NE ARG A 51 3.500 4.996 -6.115 1.00 1.21 N ATOM 787 CZ ARG A 51 3.123 6.132 -5.531 1.00 1.63 C ATOM 788 NH1 ARG A 51 4.001 6.856 -4.845 1.00 1.96 N ATOM 789 NH2 ARG A 51 1.873 6.556 -5.661 1.00 2.17 N ATOM 0 H ARG A 51 4.899 1.912 -3.035 1.00 0.44 H new ATOM 0 HA ARG A 51 2.671 0.598 -4.386 1.00 0.50 H new ATOM 0 HB2 ARG A 51 3.406 2.220 -6.233 1.00 0.53 H new ATOM 0 HB3 ARG A 51 2.694 2.890 -4.779 1.00 0.53 H new ATOM 0 HG2 ARG A 51 4.798 3.637 -3.955 1.00 0.52 H new ATOM 0 HG3 ARG A 51 5.692 2.641 -5.086 1.00 0.52 H new ATOM 0 HD2 ARG A 51 5.529 5.144 -5.620 1.00 0.73 H new ATOM 0 HD3 ARG A 51 5.172 4.029 -6.924 1.00 0.73 H new ATOM 0 HE ARG A 51 2.823 4.519 -6.711 1.00 1.21 H new ATOM 0 HH11 ARG A 51 4.968 6.542 -4.764 1.00 1.96 H new ATOM 0 HH12 ARG A 51 3.708 7.725 -4.399 1.00 1.96 H new ATOM 0 HH21 ARG A 51 1.204 6.013 -6.207 1.00 2.17 H new ATOM 0 HH22 ARG A 51 1.580 7.426 -5.215 1.00 2.17 H new ATOM 803 N GLU A 52 5.762 -0.071 -4.943 1.00 0.49 N ATOM 804 CA GLU A 52 6.678 -1.000 -5.580 1.00 0.54 C ATOM 805 C GLU A 52 6.285 -2.429 -5.237 1.00 0.53 C ATOM 806 O GLU A 52 6.198 -3.290 -6.113 1.00 0.58 O ATOM 807 CB GLU A 52 8.089 -0.693 -5.104 1.00 0.59 C ATOM 808 CG GLU A 52 8.468 0.759 -5.325 1.00 0.63 C ATOM 809 CD GLU A 52 8.991 1.017 -6.718 1.00 0.87 C ATOM 810 OE1 GLU A 52 10.213 0.903 -6.921 1.00 1.10 O ATOM 811 OE2 GLU A 52 8.183 1.341 -7.612 1.00 1.07 O ATOM 0 H GLU A 52 6.175 0.459 -4.176 1.00 0.49 H new ATOM 0 HA GLU A 52 6.635 -0.892 -6.664 1.00 0.54 H new ATOM 0 HB2 GLU A 52 8.172 -0.930 -4.043 1.00 0.59 H new ATOM 0 HB3 GLU A 52 8.795 -1.335 -5.631 1.00 0.59 H new ATOM 0 HG2 GLU A 52 7.597 1.389 -5.145 1.00 0.63 H new ATOM 0 HG3 GLU A 52 9.226 1.048 -4.597 1.00 0.63 H new ATOM 818 N ALA A 53 6.039 -2.667 -3.955 1.00 0.49 N ATOM 819 CA ALA A 53 5.486 -3.936 -3.508 1.00 0.48 C ATOM 820 C ALA A 53 4.041 -4.046 -3.963 1.00 0.49 C ATOM 821 O ALA A 53 3.567 -5.120 -4.332 1.00 0.53 O ATOM 822 CB ALA A 53 5.573 -4.051 -1.990 1.00 0.45 C ATOM 0 H ALA A 53 6.214 -1.996 -3.207 1.00 0.49 H new ATOM 0 HA ALA A 53 6.064 -4.750 -3.945 1.00 0.48 H new ATOM 0 HB1 ALA A 53 5.155 -5.006 -1.673 1.00 0.45 H new ATOM 0 HB2 ALA A 53 6.616 -3.991 -1.680 1.00 0.45 H new ATOM 0 HB3 ALA A 53 5.010 -3.238 -1.531 1.00 0.45 H new ATOM 828 N GLY A 54 3.358 -2.909 -3.940 1.00 0.49 N ATOM 829 CA GLY A 54 1.980 -2.843 -4.370 1.00 0.53 C ATOM 830 C GLY A 54 1.803 -3.306 -5.791 1.00 0.60 C ATOM 831 O GLY A 54 0.898 -4.073 -6.073 1.00 0.70 O ATOM 0 H GLY A 54 3.744 -2.019 -3.625 1.00 0.49 H new ATOM 0 HA2 GLY A 54 1.366 -3.457 -3.711 1.00 0.53 H new ATOM 0 HA3 GLY A 54 1.621 -1.818 -4.277 1.00 0.53 H new ATOM 835 N ASP A 55 2.686 -2.858 -6.675 1.00 0.61 N ATOM 836 CA ASP A 55 2.632 -3.219 -8.092 1.00 0.69 C ATOM 837 C ASP A 55 2.562 -4.732 -8.277 1.00 0.70 C ATOM 838 O ASP A 55 1.758 -5.238 -9.066 1.00 0.79 O ATOM 839 CB ASP A 55 3.858 -2.660 -8.816 1.00 0.73 C ATOM 840 CG ASP A 55 3.907 -3.055 -10.279 1.00 0.85 C ATOM 841 OD1 ASP A 55 3.085 -2.540 -11.065 1.00 1.04 O ATOM 842 OD2 ASP A 55 4.749 -3.903 -10.643 1.00 0.82 O ATOM 0 H ASP A 55 3.458 -2.236 -6.434 1.00 0.61 H new ATOM 0 HA ASP A 55 1.727 -2.786 -8.519 1.00 0.69 H new ATOM 0 HB2 ASP A 55 3.856 -1.573 -8.738 1.00 0.73 H new ATOM 0 HB3 ASP A 55 4.761 -3.014 -8.318 1.00 0.73 H new ATOM 847 N GLU A 56 3.391 -5.444 -7.526 1.00 0.66 N ATOM 848 CA GLU A 56 3.435 -6.899 -7.576 1.00 0.74 C ATOM 849 C GLU A 56 2.154 -7.522 -7.028 1.00 0.77 C ATOM 850 O GLU A 56 1.758 -8.615 -7.432 1.00 0.88 O ATOM 851 CB GLU A 56 4.659 -7.406 -6.815 1.00 0.79 C ATOM 852 CG GLU A 56 5.957 -7.107 -7.538 1.00 1.24 C ATOM 853 CD GLU A 56 7.182 -7.547 -6.769 1.00 1.52 C ATOM 854 OE1 GLU A 56 7.455 -8.763 -6.736 1.00 1.43 O ATOM 855 OE2 GLU A 56 7.869 -6.684 -6.184 1.00 2.29 O ATOM 0 H GLU A 56 4.050 -5.031 -6.867 1.00 0.66 H new ATOM 0 HA GLU A 56 3.515 -7.202 -8.620 1.00 0.74 H new ATOM 0 HB2 GLU A 56 4.684 -6.948 -5.826 1.00 0.79 H new ATOM 0 HB3 GLU A 56 4.570 -8.482 -6.665 1.00 0.79 H new ATOM 0 HG2 GLU A 56 5.947 -7.603 -8.508 1.00 1.24 H new ATOM 0 HG3 GLU A 56 6.021 -6.036 -7.728 1.00 1.24 H new ATOM 862 N PHE A 57 1.520 -6.823 -6.107 1.00 0.71 N ATOM 863 CA PHE A 57 0.249 -7.262 -5.542 1.00 0.75 C ATOM 864 C PHE A 57 -0.917 -6.909 -6.462 1.00 0.78 C ATOM 865 O PHE A 57 -1.817 -7.725 -6.668 1.00 0.91 O ATOM 866 CB PHE A 57 0.046 -6.659 -4.149 1.00 0.76 C ATOM 867 CG PHE A 57 0.617 -7.508 -3.052 1.00 1.09 C ATOM 868 CD1 PHE A 57 -0.138 -8.521 -2.484 1.00 1.37 C ATOM 869 CD2 PHE A 57 1.906 -7.301 -2.594 1.00 1.71 C ATOM 870 CE1 PHE A 57 0.380 -9.311 -1.478 1.00 1.79 C ATOM 871 CE2 PHE A 57 2.431 -8.088 -1.589 1.00 2.29 C ATOM 872 CZ PHE A 57 1.667 -9.094 -1.030 1.00 2.20 C ATOM 0 H PHE A 57 1.864 -5.941 -5.728 1.00 0.71 H new ATOM 0 HA PHE A 57 0.278 -8.348 -5.448 1.00 0.75 H new ATOM 0 HB2 PHE A 57 0.509 -5.673 -4.115 1.00 0.76 H new ATOM 0 HB3 PHE A 57 -1.020 -6.517 -3.973 1.00 0.76 H new ATOM 0 HD1 PHE A 57 -1.145 -8.695 -2.833 1.00 1.37 H new ATOM 0 HD2 PHE A 57 2.508 -6.516 -3.027 1.00 1.71 H new ATOM 0 HE1 PHE A 57 -0.220 -10.097 -1.043 1.00 1.79 H new ATOM 0 HE2 PHE A 57 3.439 -7.917 -1.240 1.00 2.29 H new ATOM 0 HZ PHE A 57 2.077 -9.710 -0.243 1.00 2.20 H new ATOM 882 N GLU A 58 -0.882 -5.702 -7.027 1.00 0.73 N ATOM 883 CA GLU A 58 -1.927 -5.229 -7.933 1.00 0.82 C ATOM 884 C GLU A 58 -2.091 -6.201 -9.081 1.00 0.82 C ATOM 885 O GLU A 58 -3.196 -6.640 -9.390 1.00 0.89 O ATOM 886 CB GLU A 58 -1.585 -3.848 -8.501 1.00 0.86 C ATOM 887 CG GLU A 58 -1.387 -2.771 -7.452 1.00 0.91 C ATOM 888 CD GLU A 58 -1.025 -1.427 -8.055 1.00 0.93 C ATOM 889 OE1 GLU A 58 -1.946 -0.644 -8.363 1.00 1.30 O ATOM 890 OE2 GLU A 58 0.182 -1.150 -8.230 1.00 1.24 O ATOM 0 H GLU A 58 -0.132 -5.028 -6.870 1.00 0.73 H new ATOM 0 HA GLU A 58 -2.854 -5.157 -7.364 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -0.676 -3.929 -9.097 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -2.383 -3.538 -9.176 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -2.300 -2.668 -6.866 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -0.600 -3.080 -6.764 1.00 0.91 H new ATOM 897 N LEU A 59 -0.970 -6.543 -9.695 1.00 0.81 N ATOM 898 CA LEU A 59 -0.967 -7.472 -10.812 1.00 0.87 C ATOM 899 C LEU A 59 -1.424 -8.850 -10.364 1.00 0.85 C ATOM 900 O LEU A 59 -2.084 -9.568 -11.115 1.00 0.96 O ATOM 901 CB LEU A 59 0.438 -7.573 -11.429 1.00 0.96 C ATOM 902 CG LEU A 59 1.499 -8.276 -10.566 1.00 1.06 C ATOM 903 CD1 LEU A 59 1.474 -9.785 -10.744 1.00 1.54 C ATOM 904 CD2 LEU A 59 2.873 -7.767 -10.889 1.00 1.46 C ATOM 0 H LEU A 59 -0.048 -6.190 -9.437 1.00 0.81 H new ATOM 0 HA LEU A 59 -1.660 -7.094 -11.564 1.00 0.87 H new ATOM 0 HB2 LEU A 59 0.360 -8.103 -12.378 1.00 0.96 H new ATOM 0 HB3 LEU A 59 0.789 -6.566 -11.654 1.00 0.96 H new ATOM 0 HG LEU A 59 1.256 -8.048 -9.528 1.00 1.06 H new ATOM 0 HD11 LEU A 59 2.240 -10.238 -10.115 1.00 1.54 H new ATOM 0 HD12 LEU A 59 0.495 -10.169 -10.457 1.00 1.54 H new ATOM 0 HD13 LEU A 59 1.669 -10.032 -11.788 1.00 1.54 H new ATOM 0 HD21 LEU A 59 3.606 -8.279 -10.266 1.00 1.46 H new ATOM 0 HD22 LEU A 59 3.094 -7.957 -11.939 1.00 1.46 H new ATOM 0 HD23 LEU A 59 2.918 -6.695 -10.696 1.00 1.46 H new ATOM 916 N ARG A 60 -1.068 -9.225 -9.137 1.00 0.83 N ATOM 917 CA ARG A 60 -1.219 -10.595 -8.722 1.00 0.90 C ATOM 918 C ARG A 60 -2.691 -10.963 -8.558 1.00 0.98 C ATOM 919 O ARG A 60 -3.129 -12.018 -9.008 1.00 1.15 O ATOM 920 CB ARG A 60 -0.467 -10.879 -7.427 1.00 1.03 C ATOM 921 CG ARG A 60 0.120 -12.272 -7.424 1.00 1.00 C ATOM 922 CD ARG A 60 0.606 -12.716 -6.058 1.00 1.07 C ATOM 923 NE ARG A 60 1.207 -14.047 -6.137 1.00 1.41 N ATOM 924 CZ ARG A 60 0.890 -15.060 -5.339 1.00 1.94 C ATOM 925 NH1 ARG A 60 0.046 -14.883 -4.332 1.00 2.43 N ATOM 926 NH2 ARG A 60 1.428 -16.255 -5.539 1.00 2.58 N ATOM 0 H ARG A 60 -0.679 -8.601 -8.430 1.00 0.83 H new ATOM 0 HA ARG A 60 -0.788 -11.213 -9.510 1.00 0.90 H new ATOM 0 HB2 ARG A 60 0.330 -10.146 -7.299 1.00 1.03 H new ATOM 0 HB3 ARG A 60 -1.143 -10.766 -6.580 1.00 1.03 H new ATOM 0 HG2 ARG A 60 -0.632 -12.976 -7.781 1.00 1.00 H new ATOM 0 HG3 ARG A 60 0.952 -12.310 -8.128 1.00 1.00 H new ATOM 0 HD2 ARG A 60 1.336 -12.003 -5.676 1.00 1.07 H new ATOM 0 HD3 ARG A 60 -0.227 -12.728 -5.355 1.00 1.07 H new ATOM 0 HE ARG A 60 1.916 -14.208 -6.852 1.00 1.41 H new ATOM 0 HH11 ARG A 60 -0.364 -13.964 -4.166 1.00 2.43 H new ATOM 0 HH12 ARG A 60 -0.193 -15.666 -3.723 1.00 2.43 H new ATOM 0 HH21 ARG A 60 2.086 -16.396 -6.306 1.00 2.58 H new ATOM 0 HH22 ARG A 60 1.184 -17.033 -4.926 1.00 2.58 H new ATOM 940 N TYR A 61 -3.450 -10.082 -7.914 1.00 1.04 N ATOM 941 CA TYR A 61 -4.870 -10.326 -7.683 1.00 1.26 C ATOM 942 C TYR A 61 -5.718 -9.771 -8.824 1.00 1.32 C ATOM 943 O TYR A 61 -6.938 -9.932 -8.835 1.00 1.59 O ATOM 944 CB TYR A 61 -5.326 -9.738 -6.332 1.00 1.52 C ATOM 945 CG TYR A 61 -5.166 -8.230 -6.175 1.00 2.19 C ATOM 946 CD1 TYR A 61 -5.710 -7.346 -7.099 1.00 2.84 C ATOM 947 CD2 TYR A 61 -4.491 -7.692 -5.083 1.00 2.70 C ATOM 948 CE1 TYR A 61 -5.586 -5.983 -6.949 1.00 3.86 C ATOM 949 CE2 TYR A 61 -4.361 -6.322 -4.928 1.00 3.67 C ATOM 950 CZ TYR A 61 -4.911 -5.475 -5.867 1.00 4.23 C ATOM 951 OH TYR A 61 -4.800 -4.112 -5.722 1.00 5.32 O ATOM 0 H TYR A 61 -3.107 -9.195 -7.544 1.00 1.04 H new ATOM 0 HA TYR A 61 -5.014 -11.406 -7.647 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -6.376 -9.990 -6.184 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -4.765 -10.228 -5.536 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -6.242 -7.737 -7.954 1.00 2.84 H new ATOM 0 HD2 TYR A 61 -4.062 -8.353 -4.345 1.00 2.70 H new ATOM 0 HE1 TYR A 61 -6.018 -5.316 -7.680 1.00 3.86 H new ATOM 0 HE2 TYR A 61 -3.832 -5.919 -4.077 1.00 3.67 H new ATOM 0 HH TYR A 61 -3.882 -3.884 -5.466 1.00 5.32 H new ATOM 961 N ARG A 62 -5.053 -9.109 -9.768 1.00 1.28 N ATOM 962 CA ARG A 62 -5.711 -8.359 -10.842 1.00 1.39 C ATOM 963 C ARG A 62 -6.786 -9.168 -11.570 1.00 1.07 C ATOM 964 O ARG A 62 -7.823 -8.624 -11.946 1.00 1.30 O ATOM 965 CB ARG A 62 -4.659 -7.859 -11.834 1.00 1.72 C ATOM 966 CG ARG A 62 -5.231 -7.122 -13.031 1.00 2.15 C ATOM 967 CD ARG A 62 -4.139 -6.434 -13.833 1.00 2.51 C ATOM 968 NE ARG A 62 -3.079 -7.356 -14.246 1.00 3.10 N ATOM 969 CZ ARG A 62 -1.966 -6.971 -14.872 1.00 3.59 C ATOM 970 NH1 ARG A 62 -1.780 -5.691 -15.174 1.00 3.59 N ATOM 971 NH2 ARG A 62 -1.040 -7.864 -15.195 1.00 4.48 N ATOM 0 H ARG A 62 -4.034 -9.076 -9.812 1.00 1.28 H new ATOM 0 HA ARG A 62 -6.224 -7.516 -10.379 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -3.968 -7.198 -11.311 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -4.078 -8.710 -12.189 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -5.767 -7.824 -13.670 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -5.956 -6.382 -12.692 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -4.579 -5.972 -14.717 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -3.706 -5.632 -13.236 1.00 2.51 H new ATOM 0 HE ARG A 62 -3.199 -8.349 -14.044 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -2.489 -5.001 -14.927 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -0.928 -5.399 -15.653 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -1.178 -8.848 -14.965 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -0.190 -7.567 -15.674 1.00 4.48 H new ATOM 985 N ARG A 63 -6.548 -10.455 -11.765 1.00 0.98 N ATOM 986 CA ARG A 63 -7.504 -11.301 -12.468 1.00 1.19 C ATOM 987 C ARG A 63 -8.791 -11.461 -11.658 1.00 1.20 C ATOM 988 O ARG A 63 -9.891 -11.470 -12.211 1.00 1.45 O ATOM 989 CB ARG A 63 -6.898 -12.680 -12.733 1.00 1.61 C ATOM 990 CG ARG A 63 -7.580 -13.449 -13.852 1.00 2.18 C ATOM 991 CD ARG A 63 -7.232 -12.863 -15.210 1.00 2.52 C ATOM 992 NE ARG A 63 -5.789 -12.891 -15.447 1.00 3.12 N ATOM 993 CZ ARG A 63 -5.106 -11.913 -16.036 1.00 3.84 C ATOM 994 NH1 ARG A 63 -5.730 -10.837 -16.498 1.00 4.07 N ATOM 995 NH2 ARG A 63 -3.791 -12.021 -16.169 1.00 4.72 N ATOM 0 H ARG A 63 -5.706 -10.937 -11.449 1.00 0.98 H new ATOM 0 HA ARG A 63 -7.742 -10.820 -13.416 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -5.843 -12.561 -12.978 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -6.948 -13.270 -11.818 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -7.277 -14.495 -13.816 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -8.660 -13.425 -13.708 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -7.742 -13.425 -15.992 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -7.592 -11.836 -15.268 1.00 2.52 H new ATOM 0 HE ARG A 63 -5.272 -13.715 -15.140 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -6.742 -10.754 -16.403 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -5.197 -10.093 -16.948 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -3.310 -12.850 -15.821 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -3.261 -11.275 -16.620 1.00 4.72 H new ATOM 1009 N ALA A 64 -8.638 -11.584 -10.345 1.00 1.07 N ATOM 1010 CA ALA A 64 -9.756 -11.905 -9.468 1.00 1.09 C ATOM 1011 C ALA A 64 -10.452 -10.673 -8.887 1.00 1.08 C ATOM 1012 O ALA A 64 -11.674 -10.625 -8.853 1.00 1.05 O ATOM 1013 CB ALA A 64 -9.285 -12.804 -8.335 1.00 1.17 C ATOM 0 H ALA A 64 -7.747 -11.466 -9.863 1.00 1.07 H new ATOM 0 HA ALA A 64 -10.492 -12.419 -10.086 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -10.127 -13.040 -7.684 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -8.877 -13.726 -8.748 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -8.514 -12.291 -7.760 1.00 1.17 H new ATOM 1019 N PHE A 65 -9.675 -9.681 -8.450 1.00 1.14 N ATOM 1020 CA PHE A 65 -10.173 -8.638 -7.536 1.00 1.22 C ATOM 1021 C PHE A 65 -11.453 -7.941 -8.020 1.00 1.19 C ATOM 1022 O PHE A 65 -12.344 -7.667 -7.218 1.00 1.22 O ATOM 1023 CB PHE A 65 -9.084 -7.595 -7.242 1.00 1.47 C ATOM 1024 CG PHE A 65 -8.939 -6.513 -8.279 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -8.308 -6.778 -9.483 1.00 1.98 C ATOM 1026 CD2 PHE A 65 -9.437 -5.242 -8.056 1.00 1.67 C ATOM 1027 CE1 PHE A 65 -8.176 -5.795 -10.443 1.00 2.59 C ATOM 1028 CE2 PHE A 65 -9.307 -4.254 -9.013 1.00 2.44 C ATOM 1029 CZ PHE A 65 -8.668 -4.505 -10.180 1.00 2.81 C ATOM 0 H PHE A 65 -8.695 -9.573 -8.712 1.00 1.14 H new ATOM 0 HA PHE A 65 -10.436 -9.163 -6.618 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -9.299 -7.129 -6.281 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -8.128 -8.109 -7.140 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -7.914 -7.766 -9.673 1.00 1.98 H new ATOM 0 HD2 PHE A 65 -9.933 -5.019 -7.123 1.00 1.67 H new ATOM 0 HE1 PHE A 65 -7.699 -6.015 -11.387 1.00 2.59 H new ATOM 0 HE2 PHE A 65 -9.719 -3.273 -8.829 1.00 2.44 H new ATOM 0 HZ PHE A 65 -8.537 -3.717 -10.906 1.00 2.81 H new ATOM 1039 N SER A 66 -11.563 -7.675 -9.314 1.00 1.20 N ATOM 1040 CA SER A 66 -12.709 -6.935 -9.827 1.00 1.24 C ATOM 1041 C SER A 66 -13.868 -7.888 -10.099 1.00 1.13 C ATOM 1042 O SER A 66 -15.028 -7.482 -10.146 1.00 1.16 O ATOM 1043 CB SER A 66 -12.330 -6.161 -11.093 1.00 1.45 C ATOM 1044 OG SER A 66 -13.341 -5.232 -11.454 1.00 2.19 O ATOM 0 H SER A 66 -10.883 -7.956 -10.020 1.00 1.20 H new ATOM 0 HA SER A 66 -13.024 -6.212 -9.075 1.00 1.24 H new ATOM 0 HB2 SER A 66 -11.390 -5.633 -10.931 1.00 1.45 H new ATOM 0 HB3 SER A 66 -12.166 -6.860 -11.913 1.00 1.45 H new ATOM 0 HG SER A 66 -13.785 -4.901 -10.645 1.00 2.19 H new ATOM 1050 N ASP A 67 -13.543 -9.162 -10.272 1.00 1.09 N ATOM 1051 CA ASP A 67 -14.556 -10.203 -10.396 1.00 1.08 C ATOM 1052 C ASP A 67 -15.107 -10.527 -9.014 1.00 0.97 C ATOM 1053 O ASP A 67 -16.283 -10.857 -8.851 1.00 1.01 O ATOM 1054 CB ASP A 67 -13.953 -11.464 -11.024 1.00 1.18 C ATOM 1055 CG ASP A 67 -14.998 -12.500 -11.392 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -15.461 -13.228 -10.484 1.00 2.06 O ATOM 1057 OD2 ASP A 67 -15.373 -12.590 -12.581 1.00 2.72 O ATOM 0 H ASP A 67 -12.583 -9.501 -10.330 1.00 1.09 H new ATOM 0 HA ASP A 67 -15.360 -9.847 -11.041 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -13.394 -11.187 -11.918 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -13.241 -11.906 -10.327 1.00 1.18 H new ATOM 1062 N LEU A 68 -14.237 -10.393 -8.017 1.00 0.89 N ATOM 1063 CA LEU A 68 -14.577 -10.657 -6.628 1.00 0.85 C ATOM 1064 C LEU A 68 -15.647 -9.707 -6.112 1.00 0.76 C ATOM 1065 O LEU A 68 -16.218 -9.947 -5.055 1.00 0.77 O ATOM 1066 CB LEU A 68 -13.345 -10.548 -5.735 1.00 0.91 C ATOM 1067 CG LEU A 68 -12.188 -11.489 -6.079 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -11.088 -11.363 -5.046 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -12.663 -12.929 -6.178 1.00 1.56 C ATOM 0 H LEU A 68 -13.271 -10.096 -8.154 1.00 0.89 H new ATOM 0 HA LEU A 68 -14.969 -11.674 -6.593 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -12.979 -9.522 -5.777 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -13.648 -10.737 -4.705 1.00 0.91 H new ATOM 0 HG LEU A 68 -11.792 -11.200 -7.053 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -10.270 -12.037 -5.301 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -10.721 -10.337 -5.029 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -11.480 -11.624 -4.063 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -11.820 -13.574 -6.423 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -13.090 -13.238 -5.224 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -13.420 -13.010 -6.958 1.00 1.56 H new ATOM 1081 N THR A 69 -15.893 -8.621 -6.832 1.00 0.70 N ATOM 1082 CA THR A 69 -16.855 -7.614 -6.397 1.00 0.62 C ATOM 1083 C THR A 69 -18.202 -8.253 -6.117 1.00 0.63 C ATOM 1084 O THR A 69 -18.899 -7.883 -5.178 1.00 0.60 O ATOM 1085 CB THR A 69 -17.026 -6.515 -7.457 1.00 0.62 C ATOM 1086 OG1 THR A 69 -17.202 -7.106 -8.751 1.00 0.69 O ATOM 1087 CG2 THR A 69 -15.823 -5.591 -7.465 1.00 0.63 C ATOM 0 H THR A 69 -15.439 -8.413 -7.722 1.00 0.70 H new ATOM 0 HA THR A 69 -16.468 -7.163 -5.483 1.00 0.62 H new ATOM 0 HB THR A 69 -17.911 -5.928 -7.210 1.00 0.62 H new ATOM 0 HG1 THR A 69 -16.326 -7.304 -9.142 1.00 0.69 H new ATOM 0 HG21 THR A 69 -15.962 -4.819 -8.222 1.00 0.63 H new ATOM 0 HG22 THR A 69 -15.716 -5.124 -6.486 1.00 0.63 H new ATOM 0 HG23 THR A 69 -14.925 -6.165 -7.693 1.00 0.63 H new ATOM 1095 N SER A 70 -18.538 -9.232 -6.937 1.00 0.72 N ATOM 1096 CA SER A 70 -19.756 -10.002 -6.783 1.00 0.80 C ATOM 1097 C SER A 70 -19.770 -10.750 -5.450 1.00 0.76 C ATOM 1098 O SER A 70 -20.825 -10.959 -4.846 1.00 0.76 O ATOM 1099 CB SER A 70 -19.842 -10.985 -7.941 1.00 0.96 C ATOM 1100 OG SER A 70 -19.908 -10.298 -9.183 1.00 1.34 O ATOM 0 H SER A 70 -17.968 -9.516 -7.734 1.00 0.72 H new ATOM 0 HA SER A 70 -20.616 -9.332 -6.788 1.00 0.80 H new ATOM 0 HB2 SER A 70 -18.973 -11.643 -7.930 1.00 0.96 H new ATOM 0 HB3 SER A 70 -20.722 -11.617 -7.823 1.00 0.96 H new ATOM 0 HG SER A 70 -19.961 -10.948 -9.914 1.00 1.34 H new ATOM 1106 N GLN A 71 -18.584 -11.133 -4.995 1.00 0.77 N ATOM 1107 CA GLN A 71 -18.421 -11.861 -3.746 1.00 0.77 C ATOM 1108 C GLN A 71 -18.463 -10.900 -2.568 1.00 0.67 C ATOM 1109 O GLN A 71 -19.160 -11.133 -1.581 1.00 0.74 O ATOM 1110 CB GLN A 71 -17.084 -12.605 -3.737 1.00 0.81 C ATOM 1111 CG GLN A 71 -16.799 -13.374 -5.009 1.00 0.99 C ATOM 1112 CD GLN A 71 -15.619 -14.312 -4.863 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -14.680 -13.958 -3.999 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -15.553 -15.353 -5.514 1.00 1.42 N flip ATOM 0 H GLN A 71 -17.708 -10.947 -5.483 1.00 0.77 H new ATOM 0 HA GLN A 71 -19.237 -12.579 -3.659 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -16.281 -11.887 -3.571 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -17.071 -13.297 -2.895 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -17.683 -13.947 -5.290 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -16.604 -12.672 -5.819 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -16.296 -15.592 -6.170 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -14.755 -15.978 -5.398 1.00 1.42 H new ATOM 1123 N LEU A 72 -17.705 -9.816 -2.686 1.00 0.59 N ATOM 1124 CA LEU A 72 -17.634 -8.811 -1.635 1.00 0.55 C ATOM 1125 C LEU A 72 -18.962 -8.079 -1.509 1.00 0.47 C ATOM 1126 O LEU A 72 -19.362 -7.684 -0.418 1.00 0.48 O ATOM 1127 CB LEU A 72 -16.524 -7.796 -1.940 1.00 0.59 C ATOM 1128 CG LEU A 72 -15.099 -8.355 -1.994 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -14.484 -8.120 -3.368 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.242 -7.717 -0.911 1.00 1.35 C ATOM 0 H LEU A 72 -17.129 -9.611 -3.503 1.00 0.59 H new ATOM 0 HA LEU A 72 -17.412 -9.318 -0.696 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -16.744 -7.324 -2.897 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -16.557 -7.013 -1.183 1.00 0.59 H new ATOM 0 HG LEU A 72 -15.141 -9.430 -1.817 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -13.472 -8.524 -3.387 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -15.088 -8.618 -4.127 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -14.452 -7.050 -3.574 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -13.232 -8.123 -0.960 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -14.207 -6.638 -1.063 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -14.672 -7.932 0.067 1.00 1.35 H new ATOM 1142 N HIS A 73 -19.653 -7.942 -2.635 1.00 0.48 N ATOM 1143 CA HIS A 73 -20.872 -7.145 -2.723 1.00 0.48 C ATOM 1144 C HIS A 73 -20.540 -5.673 -2.560 1.00 0.43 C ATOM 1145 O HIS A 73 -20.931 -5.027 -1.587 1.00 0.52 O ATOM 1146 CB HIS A 73 -21.933 -7.579 -1.701 1.00 0.55 C ATOM 1147 CG HIS A 73 -22.616 -8.867 -2.044 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -23.886 -8.920 -2.574 1.00 2.06 N ATOM 1149 CD2 HIS A 73 -22.209 -10.152 -1.919 1.00 1.97 C ATOM 1150 CE1 HIS A 73 -24.231 -10.180 -2.760 1.00 2.72 C ATOM 1151 NE2 HIS A 73 -23.232 -10.947 -2.372 1.00 2.62 N ATOM 0 H HIS A 73 -19.383 -8.381 -3.515 1.00 0.48 H new ATOM 0 HA HIS A 73 -21.303 -7.312 -3.710 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -21.462 -7.678 -0.723 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -22.683 -6.793 -1.615 1.00 0.55 H new ATOM 0 HD2 HIS A 73 -21.257 -10.489 -1.535 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -25.172 -10.524 -3.162 1.00 2.72 H new ATOM 0 HE2 HIS A 73 -23.221 -11.966 -2.403 1.00 2.62 H new ATOM 1160 N ILE A 74 -19.775 -5.174 -3.518 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.380 -3.779 -3.562 1.00 0.41 C ATOM 1162 C ILE A 74 -20.593 -2.886 -3.768 1.00 0.49 C ATOM 1163 O ILE A 74 -21.191 -2.853 -4.848 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.356 -3.572 -4.684 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -17.167 -4.495 -4.435 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -17.909 -2.121 -4.752 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.330 -4.088 -3.244 1.00 0.39 C ATOM 0 H ILE A 74 -19.410 -5.731 -4.291 1.00 0.45 H new ATOM 0 HA ILE A 74 -18.923 -3.507 -2.611 1.00 0.41 H new ATOM 0 HB ILE A 74 -18.813 -3.814 -5.643 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -17.531 -5.511 -4.284 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -16.537 -4.511 -5.324 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -17.183 -2.001 -5.556 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -18.772 -1.483 -4.944 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -17.451 -1.836 -3.805 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -15.502 -4.787 -3.125 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -15.937 -3.084 -3.402 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -16.946 -4.099 -2.345 1.00 0.39 H new ATOM 1179 N THR A 75 -20.941 -2.176 -2.716 1.00 0.38 N ATOM 1180 CA THR A 75 -22.183 -1.444 -2.638 1.00 0.40 C ATOM 1181 C THR A 75 -21.954 -0.242 -1.694 1.00 0.37 C ATOM 1182 O THR A 75 -20.795 0.041 -1.380 1.00 0.34 O ATOM 1183 CB THR A 75 -23.278 -2.429 -2.121 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.568 -2.123 -2.666 1.00 0.51 O ATOM 1185 CG2 THR A 75 -23.352 -2.444 -0.600 1.00 0.46 C ATOM 0 H THR A 75 -20.361 -2.091 -1.882 1.00 0.38 H new ATOM 0 HA THR A 75 -22.515 -1.054 -3.600 1.00 0.40 H new ATOM 0 HB THR A 75 -22.984 -3.422 -2.463 1.00 0.46 H new ATOM 0 HG1 THR A 75 -25.228 -2.761 -2.322 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.126 -3.142 -0.280 1.00 0.46 H new ATOM 0 HG22 THR A 75 -22.391 -2.756 -0.192 1.00 0.46 H new ATOM 0 HG23 THR A 75 -23.592 -1.445 -0.238 1.00 0.46 H new ATOM 1193 N PRO A 76 -23.006 0.524 -1.300 1.00 0.38 N ATOM 1194 CA PRO A 76 -22.981 1.466 -0.173 1.00 0.37 C ATOM 1195 C PRO A 76 -22.042 1.068 0.979 1.00 0.35 C ATOM 1196 O PRO A 76 -21.571 -0.063 1.045 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.440 1.465 0.303 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.249 0.877 -0.815 1.00 0.47 C ATOM 1199 CD PRO A 76 -24.307 0.612 -1.960 1.00 0.44 C ATOM 0 HA PRO A 76 -22.596 2.436 -0.487 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.551 0.877 1.214 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -24.774 2.477 0.534 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -25.733 -0.046 -0.495 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -26.040 1.563 -1.119 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.557 -0.311 -2.484 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -24.332 1.414 -2.698 1.00 0.44 H new ATOM 1207 N GLY A 77 -21.794 2.043 1.868 1.00 0.36 N ATOM 1208 CA GLY A 77 -20.831 1.949 2.983 1.00 0.37 C ATOM 1209 C GLY A 77 -20.581 0.566 3.574 1.00 0.38 C ATOM 1210 O GLY A 77 -19.487 0.300 4.075 1.00 0.40 O ATOM 0 H GLY A 77 -22.270 2.945 1.832 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -19.876 2.347 2.639 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -21.178 2.601 3.785 1.00 0.37 H new ATOM 1214 N THR A 78 -21.563 -0.316 3.517 1.00 0.40 N ATOM 1215 CA THR A 78 -21.417 -1.661 4.040 1.00 0.42 C ATOM 1216 C THR A 78 -20.439 -2.499 3.206 1.00 0.38 C ATOM 1217 O THR A 78 -20.222 -3.681 3.484 1.00 0.40 O ATOM 1218 CB THR A 78 -22.783 -2.356 4.126 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.466 -2.256 2.867 1.00 0.50 O ATOM 1220 CG2 THR A 78 -23.618 -1.708 5.214 1.00 0.56 C ATOM 0 H THR A 78 -22.478 -0.121 3.110 1.00 0.40 H new ATOM 0 HA THR A 78 -20.999 -1.576 5.043 1.00 0.42 H new ATOM 0 HB THR A 78 -22.632 -3.409 4.365 1.00 0.49 H new ATOM 0 HG1 THR A 78 -24.336 -2.703 2.930 1.00 0.50 H new ATOM 0 HG21 THR A 78 -24.587 -2.203 5.273 1.00 0.56 H new ATOM 0 HG22 THR A 78 -23.104 -1.801 6.171 1.00 0.56 H new ATOM 0 HG23 THR A 78 -23.763 -0.653 4.981 1.00 0.56 H new ATOM 1228 N ALA A 79 -19.828 -1.872 2.199 1.00 0.34 N ATOM 1229 CA ALA A 79 -18.728 -2.481 1.466 1.00 0.31 C ATOM 1230 C ALA A 79 -17.483 -2.510 2.341 1.00 0.30 C ATOM 1231 O ALA A 79 -16.517 -3.209 2.049 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.450 -1.731 0.171 1.00 0.32 C ATOM 0 H ALA A 79 -20.081 -0.939 1.875 1.00 0.34 H new ATOM 0 HA ALA A 79 -19.008 -3.502 1.205 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.624 -2.208 -0.356 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -19.340 -1.749 -0.458 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -18.187 -0.698 0.398 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.522 -1.744 3.427 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.459 -1.769 4.418 1.00 0.36 C ATOM 1240 C TYR A 80 -16.580 -3.029 5.254 1.00 0.36 C ATOM 1241 O TYR A 80 -15.609 -3.498 5.831 1.00 0.38 O ATOM 1242 CB TYR A 80 -16.518 -0.518 5.304 1.00 0.44 C ATOM 1243 CG TYR A 80 -15.588 -0.563 6.498 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -14.207 -0.610 6.335 1.00 1.69 C ATOM 1245 CD2 TYR A 80 -16.096 -0.572 7.789 1.00 2.21 C ATOM 1246 CE1 TYR A 80 -13.363 -0.663 7.431 1.00 2.52 C ATOM 1247 CE2 TYR A 80 -15.259 -0.626 8.885 1.00 3.13 C ATOM 1248 CZ TYR A 80 -13.896 -0.671 8.702 1.00 3.12 C ATOM 1249 OH TYR A 80 -13.065 -0.728 9.798 1.00 4.13 O ATOM 0 H TYR A 80 -18.282 -1.098 3.641 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.494 -1.771 3.911 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -16.273 0.355 4.699 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -17.540 -0.384 5.658 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -13.788 -0.605 5.340 1.00 1.69 H new ATOM 0 HD2 TYR A 80 -17.165 -0.536 7.939 1.00 2.21 H new ATOM 0 HE1 TYR A 80 -12.293 -0.698 7.291 1.00 2.52 H new ATOM 0 HE2 TYR A 80 -15.672 -0.633 9.883 1.00 3.13 H new ATOM 0 HH TYR A 80 -13.603 -0.725 10.617 1.00 4.13 H new ATOM 1259 N GLN A 81 -17.780 -3.588 5.291 1.00 0.37 N ATOM 1260 CA GLN A 81 -17.999 -4.866 5.951 1.00 0.41 C ATOM 1261 C GLN A 81 -17.621 -6.001 5.016 1.00 0.41 C ATOM 1262 O GLN A 81 -17.295 -7.109 5.444 1.00 0.46 O ATOM 1263 CB GLN A 81 -19.446 -5.001 6.413 1.00 0.45 C ATOM 1264 CG GLN A 81 -19.700 -4.362 7.766 1.00 0.58 C ATOM 1265 CD GLN A 81 -21.159 -4.390 8.166 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -21.636 -5.360 8.754 1.00 1.03 O ATOM 1267 NE2 GLN A 81 -21.869 -3.311 7.878 1.00 0.79 N ATOM 0 H GLN A 81 -18.615 -3.178 4.873 1.00 0.37 H new ATOM 0 HA GLN A 81 -17.365 -4.915 6.836 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -20.102 -4.543 5.673 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -19.709 -6.058 6.462 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -19.111 -4.880 8.523 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -19.354 -3.329 7.745 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -21.433 -2.529 7.389 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -22.852 -3.261 8.145 1.00 0.79 H new ATOM 1276 N SER A 82 -17.665 -5.694 3.738 1.00 0.39 N ATOM 1277 CA SER A 82 -17.179 -6.579 2.702 1.00 0.41 C ATOM 1278 C SER A 82 -15.656 -6.607 2.728 1.00 0.41 C ATOM 1279 O SER A 82 -15.034 -7.663 2.826 1.00 0.48 O ATOM 1280 CB SER A 82 -17.664 -6.067 1.354 1.00 0.41 C ATOM 1281 OG SER A 82 -19.059 -5.816 1.385 1.00 0.43 O ATOM 0 H SER A 82 -18.043 -4.815 3.385 1.00 0.39 H new ATOM 0 HA SER A 82 -17.554 -7.589 2.868 1.00 0.41 H new ATOM 0 HB2 SER A 82 -17.131 -5.153 1.094 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.438 -6.799 0.579 1.00 0.41 H new ATOM 0 HG SER A 82 -19.523 -6.475 0.828 1.00 0.43 H new ATOM 1287 N PHE A 83 -15.071 -5.417 2.659 1.00 0.38 N ATOM 1288 CA PHE A 83 -13.632 -5.245 2.757 1.00 0.37 C ATOM 1289 C PHE A 83 -13.146 -5.638 4.154 1.00 0.38 C ATOM 1290 O PHE A 83 -11.963 -5.892 4.369 1.00 0.39 O ATOM 1291 CB PHE A 83 -13.255 -3.796 2.407 1.00 0.36 C ATOM 1292 CG PHE A 83 -11.797 -3.471 2.581 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -10.860 -3.928 1.669 1.00 0.79 C ATOM 1294 CD2 PHE A 83 -11.367 -2.714 3.658 1.00 0.75 C ATOM 1295 CE1 PHE A 83 -9.519 -3.633 1.828 1.00 1.07 C ATOM 1296 CE2 PHE A 83 -10.028 -2.416 3.822 1.00 1.05 C ATOM 1297 CZ PHE A 83 -9.104 -2.867 2.897 1.00 1.18 C ATOM 0 H PHE A 83 -15.584 -4.545 2.533 1.00 0.38 H new ATOM 0 HA PHE A 83 -13.137 -5.902 2.042 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -13.537 -3.601 1.372 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -13.842 -3.121 3.030 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -11.180 -4.521 0.825 1.00 0.79 H new ATOM 0 HD2 PHE A 83 -12.086 -2.353 4.378 1.00 0.75 H new ATOM 0 HE1 PHE A 83 -8.796 -4.002 1.115 1.00 1.07 H new ATOM 0 HE2 PHE A 83 -9.704 -1.832 4.671 1.00 1.05 H new ATOM 0 HZ PHE A 83 -8.059 -2.620 3.012 1.00 1.18 H new ATOM 1307 N GLU A 84 -14.078 -5.692 5.098 1.00 0.41 N ATOM 1308 CA GLU A 84 -13.784 -6.108 6.463 1.00 0.48 C ATOM 1309 C GLU A 84 -13.258 -7.526 6.480 1.00 0.52 C ATOM 1310 O GLU A 84 -12.242 -7.816 7.099 1.00 0.55 O ATOM 1311 CB GLU A 84 -15.039 -6.035 7.317 1.00 0.55 C ATOM 1312 CG GLU A 84 -14.824 -6.424 8.759 1.00 0.62 C ATOM 1313 CD GLU A 84 -16.008 -6.071 9.627 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -16.931 -6.899 9.748 1.00 0.78 O ATOM 1315 OE2 GLU A 84 -16.016 -4.965 10.207 1.00 0.80 O ATOM 0 H GLU A 84 -15.056 -5.449 4.939 1.00 0.41 H new ATOM 0 HA GLU A 84 -13.027 -5.436 6.868 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -15.432 -5.019 7.280 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -15.798 -6.687 6.885 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -14.637 -7.496 8.820 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -13.934 -5.923 9.140 1.00 0.62 H new ATOM 1322 N GLN A 85 -13.980 -8.398 5.796 1.00 0.57 N ATOM 1323 CA GLN A 85 -13.587 -9.795 5.629 1.00 0.65 C ATOM 1324 C GLN A 85 -12.157 -9.892 5.144 1.00 0.64 C ATOM 1325 O GLN A 85 -11.405 -10.786 5.532 1.00 0.71 O ATOM 1326 CB GLN A 85 -14.520 -10.464 4.623 1.00 0.69 C ATOM 1327 CG GLN A 85 -15.970 -10.280 4.997 1.00 0.79 C ATOM 1328 CD GLN A 85 -16.952 -11.001 4.090 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -16.722 -11.161 2.896 1.00 1.44 O ATOM 1330 NE2 GLN A 85 -18.062 -11.447 4.659 1.00 1.62 N ATOM 0 H GLN A 85 -14.859 -8.160 5.338 1.00 0.57 H new ATOM 0 HA GLN A 85 -13.659 -10.300 6.592 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -14.345 -10.047 3.631 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -14.291 -11.528 4.567 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -16.115 -10.630 6.019 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -16.202 -9.215 4.988 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -18.221 -11.296 5.655 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -18.758 -11.941 4.101 1.00 1.62 H new ATOM 1339 N VAL A 86 -11.787 -8.927 4.332 1.00 0.58 N ATOM 1340 CA VAL A 86 -10.482 -8.892 3.722 1.00 0.62 C ATOM 1341 C VAL A 86 -9.456 -8.348 4.691 1.00 0.55 C ATOM 1342 O VAL A 86 -8.419 -8.951 4.916 1.00 0.59 O ATOM 1343 CB VAL A 86 -10.467 -8.015 2.476 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -9.358 -8.492 1.569 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -11.815 -8.036 1.779 1.00 1.30 C ATOM 0 H VAL A 86 -12.387 -8.143 4.077 1.00 0.58 H new ATOM 0 HA VAL A 86 -10.237 -9.917 3.445 1.00 0.62 H new ATOM 0 HB VAL A 86 -10.280 -6.978 2.754 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -9.332 -7.875 0.671 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -8.404 -8.415 2.090 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -9.537 -9.531 1.291 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -11.777 -7.402 0.893 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -12.056 -9.057 1.484 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -12.582 -7.664 2.458 1.00 1.30 H new ATOM 1355 N VAL A 87 -9.754 -7.199 5.267 1.00 0.51 N ATOM 1356 CA VAL A 87 -8.842 -6.563 6.201 1.00 0.51 C ATOM 1357 C VAL A 87 -8.658 -7.449 7.430 1.00 0.56 C ATOM 1358 O VAL A 87 -7.666 -7.355 8.157 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.348 -5.164 6.611 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -10.539 -5.245 7.553 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -8.230 -4.356 7.225 1.00 0.85 C ATOM 0 H VAL A 87 -10.621 -6.686 5.105 1.00 0.51 H new ATOM 0 HA VAL A 87 -7.879 -6.434 5.708 1.00 0.51 H new ATOM 0 HB VAL A 87 -9.687 -4.659 5.707 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -10.863 -4.238 7.817 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.356 -5.773 7.062 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.252 -5.782 8.457 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -8.605 -3.372 7.508 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -7.854 -4.869 8.110 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -7.423 -4.242 6.501 1.00 0.85 H new ATOM 1371 N ASN A 88 -9.633 -8.316 7.627 1.00 0.61 N ATOM 1372 CA ASN A 88 -9.607 -9.316 8.677 1.00 0.71 C ATOM 1373 C ASN A 88 -8.725 -10.503 8.301 1.00 0.78 C ATOM 1374 O ASN A 88 -7.903 -10.944 9.103 1.00 0.91 O ATOM 1375 CB ASN A 88 -11.021 -9.784 8.972 1.00 0.73 C ATOM 1376 CG ASN A 88 -11.588 -9.125 10.209 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -11.413 -9.618 11.326 1.00 0.87 O ATOM 1378 ND2 ASN A 88 -12.270 -8.009 10.024 1.00 0.73 N ATOM 0 H ASN A 88 -10.477 -8.346 7.054 1.00 0.61 H new ATOM 0 HA ASN A 88 -9.180 -8.860 9.570 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -11.661 -9.564 8.118 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -11.025 -10.866 9.103 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -12.676 -7.521 10.823 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -12.391 -7.635 9.083 1.00 0.73 H new ATOM 1385 N GLU A 89 -8.864 -11.004 7.070 1.00 0.75 N ATOM 1386 CA GLU A 89 -8.079 -12.150 6.635 1.00 0.84 C ATOM 1387 C GLU A 89 -6.647 -11.707 6.499 1.00 0.82 C ATOM 1388 O GLU A 89 -5.704 -12.447 6.772 1.00 0.98 O ATOM 1389 CB GLU A 89 -8.605 -12.715 5.306 1.00 0.87 C ATOM 1390 CG GLU A 89 -8.610 -11.742 4.150 1.00 1.25 C ATOM 1391 CD GLU A 89 -9.308 -12.289 2.921 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -8.908 -13.365 2.429 1.00 2.58 O ATOM 1393 OE2 GLU A 89 -10.279 -11.661 2.456 1.00 2.87 O ATOM 0 H GLU A 89 -9.506 -10.635 6.368 1.00 0.75 H new ATOM 0 HA GLU A 89 -8.157 -12.950 7.371 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -7.998 -13.578 5.031 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -9.622 -13.076 5.460 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -9.101 -10.820 4.460 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -7.582 -11.485 3.894 1.00 1.25 H new ATOM 1400 N LEU A 90 -6.527 -10.455 6.128 1.00 0.69 N ATOM 1401 CA LEU A 90 -5.266 -9.791 5.971 1.00 0.64 C ATOM 1402 C LEU A 90 -4.488 -9.766 7.287 1.00 0.70 C ATOM 1403 O LEU A 90 -3.261 -9.812 7.294 1.00 0.80 O ATOM 1404 CB LEU A 90 -5.551 -8.367 5.505 1.00 0.56 C ATOM 1405 CG LEU A 90 -4.820 -7.875 4.256 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -4.363 -9.009 3.368 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -5.736 -6.960 3.472 1.00 1.28 C ATOM 0 H LEU A 90 -7.328 -9.858 5.923 1.00 0.69 H new ATOM 0 HA LEU A 90 -4.655 -10.324 5.243 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -6.622 -8.280 5.324 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -5.310 -7.690 6.325 1.00 0.56 H new ATOM 0 HG LEU A 90 -3.929 -7.341 4.585 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -3.850 -8.604 2.496 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -3.682 -9.654 3.923 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -5.227 -9.588 3.044 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -5.220 -6.606 2.580 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -6.633 -7.506 3.180 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -6.016 -6.108 4.091 1.00 1.28 H new ATOM 1419 N PHE A 91 -5.209 -9.721 8.405 1.00 0.73 N ATOM 1420 CA PHE A 91 -4.584 -9.468 9.693 1.00 0.82 C ATOM 1421 C PHE A 91 -4.361 -10.758 10.460 1.00 0.91 C ATOM 1422 O PHE A 91 -3.331 -10.942 11.107 1.00 1.06 O ATOM 1423 CB PHE A 91 -5.426 -8.463 10.507 1.00 0.88 C ATOM 1424 CG PHE A 91 -6.067 -9.002 11.760 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -5.382 -8.994 12.966 1.00 1.26 C ATOM 1426 CD2 PHE A 91 -7.359 -9.502 11.732 1.00 1.70 C ATOM 1427 CE1 PHE A 91 -5.972 -9.479 14.117 1.00 1.75 C ATOM 1428 CE2 PHE A 91 -7.953 -9.987 12.879 1.00 2.30 C ATOM 1429 CZ PHE A 91 -7.260 -9.977 14.073 1.00 2.23 C ATOM 0 H PHE A 91 -6.219 -9.856 8.442 1.00 0.73 H new ATOM 0 HA PHE A 91 -3.603 -9.026 9.519 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -4.788 -7.623 10.781 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -6.211 -8.070 9.861 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -4.376 -8.604 13.006 1.00 1.26 H new ATOM 0 HD2 PHE A 91 -7.907 -9.512 10.802 1.00 1.70 H new ATOM 0 HE1 PHE A 91 -5.427 -9.469 15.050 1.00 1.75 H new ATOM 0 HE2 PHE A 91 -8.960 -10.375 12.843 1.00 2.30 H new ATOM 0 HZ PHE A 91 -7.724 -10.358 14.971 1.00 2.23 H new ATOM 1439 N ARG A 92 -5.314 -11.653 10.355 1.00 0.96 N ATOM 1440 CA ARG A 92 -5.291 -12.876 11.127 1.00 1.11 C ATOM 1441 C ARG A 92 -4.231 -13.822 10.596 1.00 0.83 C ATOM 1442 O ARG A 92 -3.589 -14.555 11.347 1.00 0.90 O ATOM 1443 CB ARG A 92 -6.658 -13.534 11.051 1.00 1.53 C ATOM 1444 CG ARG A 92 -6.984 -14.041 9.663 1.00 1.62 C ATOM 1445 CD ARG A 92 -8.470 -14.115 9.431 1.00 2.21 C ATOM 1446 NE ARG A 92 -9.111 -15.144 10.251 1.00 3.27 N ATOM 1447 CZ ARG A 92 -10.430 -15.233 10.444 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -11.255 -14.403 9.817 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -10.926 -16.164 11.253 1.00 5.06 N ATOM 0 H ARG A 92 -6.121 -11.558 9.739 1.00 0.96 H new ATOM 0 HA ARG A 92 -5.050 -12.641 12.164 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -6.697 -14.365 11.756 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -7.419 -12.818 11.360 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -6.532 -13.384 8.920 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -6.544 -15.029 9.524 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -8.918 -13.146 9.652 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -8.661 -14.322 8.378 1.00 2.21 H new ATOM 0 HE ARG A 92 -8.514 -15.836 10.703 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -10.882 -13.694 9.185 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -12.261 -14.474 9.967 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -10.299 -16.813 11.729 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -11.933 -16.229 11.398 1.00 5.06 H new ATOM 1463 N ASP A 93 -4.053 -13.778 9.291 1.00 0.84 N ATOM 1464 CA ASP A 93 -3.200 -14.724 8.601 1.00 1.10 C ATOM 1465 C ASP A 93 -1.750 -14.248 8.523 1.00 1.31 C ATOM 1466 O ASP A 93 -0.932 -14.880 7.854 1.00 1.88 O ATOM 1467 CB ASP A 93 -3.757 -14.973 7.192 1.00 1.65 C ATOM 1468 CG ASP A 93 -3.210 -16.230 6.544 1.00 2.40 C ATOM 1469 OD1 ASP A 93 -3.679 -17.337 6.880 1.00 2.58 O ATOM 1470 OD2 ASP A 93 -2.294 -16.119 5.695 1.00 3.12 O ATOM 0 H ASP A 93 -4.493 -13.089 8.681 1.00 0.84 H new ATOM 0 HA ASP A 93 -3.197 -15.653 9.171 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -4.843 -15.044 7.246 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -3.524 -14.116 6.560 1.00 1.65 H new ATOM 1475 N GLY A 94 -1.388 -13.162 9.214 1.00 1.11 N ATOM 1476 CA GLY A 94 -0.006 -12.742 9.103 1.00 1.69 C ATOM 1477 C GLY A 94 0.225 -11.269 8.793 1.00 1.62 C ATOM 1478 O GLY A 94 0.585 -10.944 7.661 1.00 2.31 O ATOM 0 H GLY A 94 -1.991 -12.598 9.814 1.00 1.11 H new ATOM 0 HA2 GLY A 94 0.501 -12.979 10.039 1.00 1.69 H new ATOM 0 HA3 GLY A 94 0.471 -13.335 8.323 1.00 1.69 H new ATOM 1482 N VAL A 95 -0.005 -10.360 9.748 1.00 0.85 N ATOM 1483 CA VAL A 95 0.260 -8.944 9.478 1.00 0.67 C ATOM 1484 C VAL A 95 1.745 -8.667 9.397 1.00 0.62 C ATOM 1485 O VAL A 95 2.425 -8.466 10.398 1.00 0.61 O ATOM 1486 CB VAL A 95 -0.320 -7.970 10.524 1.00 0.59 C ATOM 1487 CG1 VAL A 95 -0.035 -6.532 10.100 1.00 0.84 C ATOM 1488 CG2 VAL A 95 -1.803 -8.181 10.727 1.00 1.06 C ATOM 0 H VAL A 95 -0.361 -10.568 10.681 1.00 0.85 H new ATOM 0 HA VAL A 95 -0.240 -8.766 8.526 1.00 0.67 H new ATOM 0 HB VAL A 95 0.166 -8.169 11.479 1.00 0.59 H new ATOM 0 HG11 VAL A 95 -0.446 -5.846 10.841 1.00 0.84 H new ATOM 0 HG12 VAL A 95 1.042 -6.382 10.024 1.00 0.84 H new ATOM 0 HG13 VAL A 95 -0.497 -6.340 9.132 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -2.172 -7.475 11.471 1.00 1.06 H new ATOM 0 HG22 VAL A 95 -2.326 -8.021 9.784 1.00 1.06 H new ATOM 0 HG23 VAL A 95 -1.982 -9.199 11.072 1.00 1.06 H new ATOM 1498 N ASN A 96 2.246 -8.734 8.185 1.00 0.76 N ATOM 1499 CA ASN A 96 3.644 -8.475 7.915 1.00 0.86 C ATOM 1500 C ASN A 96 3.755 -7.228 7.061 1.00 0.72 C ATOM 1501 O ASN A 96 2.758 -6.540 6.829 1.00 0.62 O ATOM 1502 CB ASN A 96 4.297 -9.674 7.210 1.00 1.17 C ATOM 1503 CG ASN A 96 3.808 -11.009 7.752 1.00 1.47 C ATOM 1504 OD1 ASN A 96 3.350 -11.013 8.994 1.00 2.12 O flip ATOM 1505 ND2 ASN A 96 3.831 -12.020 7.056 1.00 1.67 N flip ATOM 0 H ASN A 96 1.697 -8.969 7.358 1.00 0.76 H new ATOM 0 HA ASN A 96 4.171 -8.321 8.857 1.00 0.86 H new ATOM 0 HB2 ASN A 96 4.087 -9.621 6.142 1.00 1.17 H new ATOM 0 HB3 ASN A 96 5.379 -9.614 7.326 1.00 1.17 H new ATOM 0 HD21 ASN A 96 4.192 -11.975 6.103 1.00 1.67 H new ATOM 0 HD22 ASN A 96 3.489 -12.905 7.431 1.00 1.67 H new ATOM 1512 N TRP A 97 4.952 -6.961 6.570 1.00 0.77 N ATOM 1513 CA TRP A 97 5.191 -5.826 5.690 1.00 0.72 C ATOM 1514 C TRP A 97 4.323 -5.919 4.432 1.00 0.63 C ATOM 1515 O TRP A 97 3.794 -4.919 3.951 1.00 0.59 O ATOM 1516 CB TRP A 97 6.666 -5.787 5.278 1.00 0.86 C ATOM 1517 CG TRP A 97 7.633 -5.777 6.425 1.00 0.68 C ATOM 1518 CD1 TRP A 97 8.220 -4.683 6.996 1.00 0.83 C ATOM 1519 CD2 TRP A 97 8.141 -6.917 7.129 1.00 1.43 C ATOM 1520 NE1 TRP A 97 9.062 -5.075 8.010 1.00 0.99 N ATOM 1521 CE2 TRP A 97 9.027 -6.442 8.113 1.00 1.60 C ATOM 1522 CE3 TRP A 97 7.928 -8.295 7.024 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 9.700 -7.294 8.982 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 8.596 -9.138 7.889 1.00 3.24 C ATOM 1525 CH2 TRP A 97 9.473 -8.637 8.857 1.00 3.34 C ATOM 0 H TRP A 97 5.782 -7.520 6.767 1.00 0.77 H new ATOM 0 HA TRP A 97 4.932 -4.917 6.232 1.00 0.72 H new ATOM 0 HB2 TRP A 97 6.877 -6.652 4.649 1.00 0.86 H new ATOM 0 HB3 TRP A 97 6.836 -4.900 4.668 1.00 0.86 H new ATOM 0 HD1 TRP A 97 8.048 -3.660 6.695 1.00 0.83 H new ATOM 0 HE1 TRP A 97 9.622 -4.451 8.591 1.00 0.99 H new ATOM 0 HE3 TRP A 97 7.253 -8.692 6.280 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 10.378 -6.909 9.729 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 8.439 -10.204 7.817 1.00 3.24 H new ATOM 0 HH2 TRP A 97 9.980 -9.324 9.518 1.00 3.34 H new ATOM 1536 N GLY A 98 4.158 -7.138 3.929 1.00 0.69 N ATOM 1537 CA GLY A 98 3.540 -7.331 2.632 1.00 0.69 C ATOM 1538 C GLY A 98 2.023 -7.340 2.652 1.00 0.62 C ATOM 1539 O GLY A 98 1.394 -6.912 1.686 1.00 0.61 O ATOM 0 H GLY A 98 4.443 -7.997 4.399 1.00 0.69 H new ATOM 0 HA2 GLY A 98 3.877 -6.540 1.962 1.00 0.69 H new ATOM 0 HA3 GLY A 98 3.891 -8.274 2.213 1.00 0.69 H new ATOM 1543 N ARG A 99 1.415 -7.819 3.731 1.00 0.65 N ATOM 1544 CA ARG A 99 -0.029 -7.913 3.778 1.00 0.67 C ATOM 1545 C ARG A 99 -0.630 -6.515 3.835 1.00 0.53 C ATOM 1546 O ARG A 99 -1.739 -6.283 3.363 1.00 0.55 O ATOM 1547 CB ARG A 99 -0.478 -8.779 4.972 1.00 0.82 C ATOM 1548 CG ARG A 99 -0.650 -8.042 6.299 1.00 1.04 C ATOM 1549 CD ARG A 99 -1.959 -7.270 6.326 1.00 1.50 C ATOM 1550 NE ARG A 99 -2.412 -6.946 7.675 1.00 2.48 N ATOM 1551 CZ ARG A 99 -3.541 -6.286 7.939 1.00 3.32 C ATOM 1552 NH1 ARG A 99 -4.268 -5.780 6.948 1.00 3.44 N ATOM 1553 NH2 ARG A 99 -3.933 -6.118 9.194 1.00 4.24 N ATOM 0 H ARG A 99 1.895 -8.143 4.571 1.00 0.65 H new ATOM 0 HA ARG A 99 -0.391 -8.402 2.873 1.00 0.67 H new ATOM 0 HB2 ARG A 99 -1.425 -9.254 4.716 1.00 0.82 H new ATOM 0 HB3 ARG A 99 0.251 -9.577 5.113 1.00 0.82 H new ATOM 0 HG2 ARG A 99 -0.628 -8.757 7.122 1.00 1.04 H new ATOM 0 HG3 ARG A 99 0.184 -7.357 6.449 1.00 1.04 H new ATOM 0 HD2 ARG A 99 -1.840 -6.347 5.759 1.00 1.50 H new ATOM 0 HD3 ARG A 99 -2.728 -7.856 5.823 1.00 1.50 H new ATOM 0 HE ARG A 99 -1.832 -7.241 8.461 1.00 2.48 H new ATOM 0 HH11 ARG A 99 -3.963 -5.896 5.981 1.00 3.44 H new ATOM 0 HH12 ARG A 99 -5.131 -5.276 7.154 1.00 3.44 H new ATOM 0 HH21 ARG A 99 -3.371 -6.493 9.958 1.00 4.24 H new ATOM 0 HH22 ARG A 99 -4.796 -5.613 9.395 1.00 4.24 H new ATOM 1567 N ILE A 100 0.109 -5.590 4.432 1.00 0.44 N ATOM 1568 CA ILE A 100 -0.340 -4.215 4.550 1.00 0.36 C ATOM 1569 C ILE A 100 -0.331 -3.557 3.177 1.00 0.33 C ATOM 1570 O ILE A 100 -1.182 -2.728 2.858 1.00 0.34 O ATOM 1571 CB ILE A 100 0.542 -3.443 5.546 1.00 0.32 C ATOM 1572 CG1 ILE A 100 0.437 -4.106 6.922 1.00 0.33 C ATOM 1573 CG2 ILE A 100 0.124 -1.983 5.616 1.00 0.34 C ATOM 1574 CD1 ILE A 100 1.346 -3.504 7.964 1.00 0.34 C ATOM 0 H ILE A 100 1.025 -5.771 4.843 1.00 0.44 H new ATOM 0 HA ILE A 100 -1.360 -4.200 4.935 1.00 0.36 H new ATOM 0 HB ILE A 100 1.579 -3.472 5.210 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.594 -4.036 7.270 1.00 0.33 H new ATOM 0 HG13 ILE A 100 0.668 -5.166 6.822 1.00 0.33 H new ATOM 0 HG21 ILE A 100 0.761 -1.456 6.326 1.00 0.34 H new ATOM 0 HG22 ILE A 100 0.225 -1.528 4.631 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -0.914 -1.917 5.941 1.00 0.34 H new ATOM 0 HD11 ILE A 100 1.212 -4.028 8.910 1.00 0.34 H new ATOM 0 HD12 ILE A 100 2.383 -3.598 7.640 1.00 0.34 H new ATOM 0 HD13 ILE A 100 1.101 -2.450 8.096 1.00 0.34 H new ATOM 1586 N VAL A 101 0.636 -3.962 2.371 1.00 0.33 N ATOM 1587 CA VAL A 101 0.656 -3.641 0.952 1.00 0.35 C ATOM 1588 C VAL A 101 -0.641 -4.092 0.297 1.00 0.37 C ATOM 1589 O VAL A 101 -1.368 -3.299 -0.289 1.00 0.45 O ATOM 1590 CB VAL A 101 1.827 -4.353 0.260 1.00 0.46 C ATOM 1591 CG1 VAL A 101 1.854 -4.049 -1.223 1.00 1.35 C ATOM 1592 CG2 VAL A 101 3.134 -3.971 0.916 1.00 1.32 C ATOM 0 H VAL A 101 1.430 -4.523 2.681 1.00 0.33 H new ATOM 0 HA VAL A 101 0.770 -2.562 0.849 1.00 0.35 H new ATOM 0 HB VAL A 101 1.687 -5.428 0.371 1.00 0.46 H new ATOM 0 HG11 VAL A 101 2.694 -4.567 -1.685 1.00 1.35 H new ATOM 0 HG12 VAL A 101 0.924 -4.386 -1.680 1.00 1.35 H new ATOM 0 HG13 VAL A 101 1.964 -2.975 -1.372 1.00 1.35 H new ATOM 0 HG21 VAL A 101 3.956 -4.483 0.415 1.00 1.32 H new ATOM 0 HG22 VAL A 101 3.278 -2.893 0.840 1.00 1.32 H new ATOM 0 HG23 VAL A 101 3.112 -4.261 1.967 1.00 1.32 H new ATOM 1602 N ALA A 102 -0.917 -5.381 0.396 1.00 0.37 N ATOM 1603 CA ALA A 102 -2.166 -5.938 -0.118 1.00 0.39 C ATOM 1604 C ALA A 102 -3.366 -5.156 0.406 1.00 0.35 C ATOM 1605 O ALA A 102 -4.304 -4.865 -0.331 1.00 0.34 O ATOM 1606 CB ALA A 102 -2.287 -7.395 0.277 1.00 0.44 C ATOM 0 H ALA A 102 -0.296 -6.065 0.827 1.00 0.37 H new ATOM 0 HA ALA A 102 -2.153 -5.861 -1.205 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -3.221 -7.801 -0.111 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -1.449 -7.955 -0.137 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -2.278 -7.479 1.364 1.00 0.44 H new ATOM 1612 N PHE A 103 -3.307 -4.812 1.683 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.359 -4.057 2.346 1.00 0.34 C ATOM 1614 C PHE A 103 -4.587 -2.696 1.691 1.00 0.31 C ATOM 1615 O PHE A 103 -5.709 -2.372 1.302 1.00 0.32 O ATOM 1616 CB PHE A 103 -4.007 -3.903 3.830 1.00 0.36 C ATOM 1617 CG PHE A 103 -4.746 -2.797 4.533 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -6.102 -2.895 4.788 1.00 0.67 C ATOM 1619 CD2 PHE A 103 -4.073 -1.654 4.937 1.00 1.03 C ATOM 1620 CE1 PHE A 103 -6.774 -1.872 5.431 1.00 1.09 C ATOM 1621 CE2 PHE A 103 -4.740 -0.629 5.579 1.00 1.48 C ATOM 1622 CZ PHE A 103 -6.092 -0.739 5.826 1.00 1.49 C ATOM 0 H PHE A 103 -2.524 -5.050 2.292 1.00 0.35 H new ATOM 0 HA PHE A 103 -5.295 -4.607 2.249 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -4.215 -4.844 4.340 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -2.936 -3.722 3.920 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -6.641 -3.779 4.482 1.00 0.67 H new ATOM 0 HD2 PHE A 103 -3.014 -1.564 4.747 1.00 1.03 H new ATOM 0 HE1 PHE A 103 -7.833 -1.960 5.624 1.00 1.09 H new ATOM 0 HE2 PHE A 103 -4.204 0.257 5.887 1.00 1.48 H new ATOM 0 HZ PHE A 103 -6.617 0.060 6.328 1.00 1.49 H new ATOM 1632 N PHE A 104 -3.531 -1.904 1.560 1.00 0.33 N ATOM 1633 CA PHE A 104 -3.667 -0.559 1.018 1.00 0.40 C ATOM 1634 C PHE A 104 -3.926 -0.614 -0.490 1.00 0.39 C ATOM 1635 O PHE A 104 -4.517 0.299 -1.066 1.00 0.47 O ATOM 1636 CB PHE A 104 -2.425 0.292 1.361 1.00 0.56 C ATOM 1637 CG PHE A 104 -1.404 0.432 0.262 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -0.606 -0.631 -0.107 1.00 1.47 C ATOM 1639 CD2 PHE A 104 -1.235 1.641 -0.388 1.00 1.79 C ATOM 1640 CE1 PHE A 104 0.336 -0.500 -1.107 1.00 2.61 C ATOM 1641 CE2 PHE A 104 -0.294 1.781 -1.388 1.00 2.90 C ATOM 1642 CZ PHE A 104 0.491 0.709 -1.749 1.00 3.29 C ATOM 0 H PHE A 104 -2.580 -2.166 1.819 1.00 0.33 H new ATOM 0 HA PHE A 104 -4.528 -0.076 1.480 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -2.759 1.288 1.650 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -1.937 -0.146 2.232 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -0.720 -1.581 0.395 1.00 1.47 H new ATOM 0 HD2 PHE A 104 -1.847 2.486 -0.110 1.00 1.79 H new ATOM 0 HE1 PHE A 104 0.950 -1.343 -1.386 1.00 2.61 H new ATOM 0 HE2 PHE A 104 -0.173 2.731 -1.887 1.00 2.90 H new ATOM 0 HZ PHE A 104 1.226 0.816 -2.533 1.00 3.29 H new ATOM 1652 N SER A 105 -3.513 -1.716 -1.108 1.00 0.37 N ATOM 1653 CA SER A 105 -3.706 -1.919 -2.534 1.00 0.44 C ATOM 1654 C SER A 105 -5.162 -2.295 -2.831 1.00 0.40 C ATOM 1655 O SER A 105 -5.831 -1.645 -3.635 1.00 0.45 O ATOM 1656 CB SER A 105 -2.750 -3.010 -3.034 1.00 0.50 C ATOM 1657 OG SER A 105 -2.726 -3.078 -4.449 1.00 1.19 O ATOM 0 H SER A 105 -3.039 -2.486 -0.636 1.00 0.37 H new ATOM 0 HA SER A 105 -3.485 -0.990 -3.059 1.00 0.44 H new ATOM 0 HB2 SER A 105 -1.745 -2.811 -2.662 1.00 0.50 H new ATOM 0 HB3 SER A 105 -3.055 -3.975 -2.628 1.00 0.50 H new ATOM 0 HG SER A 105 -2.808 -2.175 -4.821 1.00 1.19 H new ATOM 1663 N PHE A 106 -5.655 -3.330 -2.159 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.028 -3.783 -2.346 1.00 0.37 C ATOM 1665 C PHE A 106 -8.000 -2.723 -1.832 1.00 0.31 C ATOM 1666 O PHE A 106 -9.124 -2.609 -2.313 1.00 0.30 O ATOM 1667 CB PHE A 106 -7.252 -5.114 -1.623 1.00 0.46 C ATOM 1668 CG PHE A 106 -8.523 -5.816 -2.014 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -8.577 -6.577 -3.171 1.00 1.56 C ATOM 1670 CD2 PHE A 106 -9.659 -5.715 -1.229 1.00 1.64 C ATOM 1671 CE1 PHE A 106 -9.741 -7.226 -3.537 1.00 2.46 C ATOM 1672 CE2 PHE A 106 -10.827 -6.361 -1.590 1.00 2.53 C ATOM 1673 CZ PHE A 106 -10.867 -7.118 -2.746 1.00 2.89 C ATOM 0 H PHE A 106 -5.122 -3.872 -1.478 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.209 -3.937 -3.410 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -6.408 -5.773 -1.826 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -7.264 -4.934 -0.548 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -7.699 -6.664 -3.794 1.00 1.56 H new ATOM 0 HD2 PHE A 106 -9.633 -5.125 -0.325 1.00 1.64 H new ATOM 0 HE1 PHE A 106 -9.770 -7.817 -4.441 1.00 2.46 H new ATOM 0 HE2 PHE A 106 -11.707 -6.274 -0.970 1.00 2.53 H new ATOM 0 HZ PHE A 106 -11.778 -7.624 -3.030 1.00 2.89 H new ATOM 1683 N GLY A 107 -7.545 -1.947 -0.856 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.323 -0.833 -0.354 1.00 0.28 C ATOM 1685 C GLY A 107 -8.500 0.242 -1.401 1.00 0.24 C ATOM 1686 O GLY A 107 -9.595 0.771 -1.585 1.00 0.27 O ATOM 0 H GLY A 107 -6.641 -2.072 -0.400 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.301 -1.189 -0.029 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -7.830 -0.410 0.522 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.417 0.559 -2.100 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.498 1.508 -3.185 1.00 0.22 C ATOM 1692 C GLY A 108 -8.385 0.992 -4.300 1.00 0.22 C ATOM 1693 O GLY A 108 -9.104 1.754 -4.947 1.00 0.23 O ATOM 0 H GLY A 108 -6.487 0.175 -1.933 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -7.889 2.455 -2.814 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.499 1.706 -3.574 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.335 -0.317 -4.512 1.00 0.24 N ATOM 1698 CA ALA A 109 -9.172 -0.975 -5.502 1.00 0.26 C ATOM 1699 C ALA A 109 -10.631 -0.993 -5.053 1.00 0.27 C ATOM 1700 O ALA A 109 -11.542 -0.971 -5.878 1.00 0.31 O ATOM 1701 CB ALA A 109 -8.671 -2.391 -5.746 1.00 0.29 C ATOM 0 H ALA A 109 -7.715 -0.948 -4.004 1.00 0.24 H new ATOM 0 HA ALA A 109 -9.114 -0.414 -6.435 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.303 -2.878 -6.489 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -7.644 -2.356 -6.110 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -8.706 -2.955 -4.814 1.00 0.29 H new ATOM 1707 N LEU A 110 -10.837 -1.005 -3.740 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.182 -1.010 -3.163 1.00 0.28 C ATOM 1709 C LEU A 110 -12.874 0.284 -3.562 1.00 0.24 C ATOM 1710 O LEU A 110 -14.064 0.313 -3.891 1.00 0.24 O ATOM 1711 CB LEU A 110 -12.095 -1.117 -1.634 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.163 -1.979 -0.944 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -14.561 -1.427 -1.161 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -13.078 -3.420 -1.419 1.00 1.12 C ATOM 0 H LEU A 110 -10.086 -1.011 -3.050 1.00 0.25 H new ATOM 0 HA LEU A 110 -12.749 -1.864 -3.533 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.115 -1.517 -1.376 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -12.148 -0.111 -1.218 1.00 0.32 H new ATOM 0 HG LEU A 110 -12.962 -1.951 0.127 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -15.287 -2.065 -0.657 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -14.621 -0.418 -0.754 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -14.780 -1.401 -2.228 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -13.843 -4.014 -0.918 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.237 -3.458 -2.497 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -12.093 -3.823 -1.183 1.00 1.12 H new ATOM 1726 N CYS A 111 -12.086 1.346 -3.534 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.503 2.660 -3.981 1.00 0.19 C ATOM 1728 C CYS A 111 -13.019 2.604 -5.418 1.00 0.20 C ATOM 1729 O CYS A 111 -14.138 3.029 -5.701 1.00 0.26 O ATOM 1730 CB CYS A 111 -11.308 3.605 -3.875 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.611 5.271 -4.465 1.00 0.22 S ATOM 0 H CYS A 111 -11.125 1.317 -3.195 1.00 0.21 H new ATOM 0 HA CYS A 111 -13.319 3.021 -3.355 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -10.994 3.655 -2.832 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.477 3.181 -4.438 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.780 6.092 -3.894 1.00 0.22 H new ATOM 1737 N VAL A 112 -12.210 2.047 -6.316 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.565 1.973 -7.731 1.00 0.22 C ATOM 1739 C VAL A 112 -13.806 1.122 -7.960 1.00 0.22 C ATOM 1740 O VAL A 112 -14.649 1.478 -8.779 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.397 1.440 -8.589 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -11.831 1.165 -10.027 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -10.260 2.437 -8.573 1.00 0.27 C ATOM 0 H VAL A 112 -11.303 1.640 -6.088 1.00 0.20 H new ATOM 0 HA VAL A 112 -12.785 2.993 -8.045 1.00 0.22 H new ATOM 0 HB VAL A 112 -11.066 0.495 -8.159 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -10.981 0.791 -10.598 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -12.627 0.420 -10.031 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -12.195 2.087 -10.480 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.436 2.059 -9.179 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.604 3.388 -8.980 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -9.919 2.583 -7.548 1.00 0.27 H new ATOM 1753 N GLU A 113 -13.930 0.017 -7.235 1.00 0.23 N ATOM 1754 CA GLU A 113 -15.103 -0.839 -7.370 1.00 0.28 C ATOM 1755 C GLU A 113 -16.361 -0.117 -6.899 1.00 0.23 C ATOM 1756 O GLU A 113 -17.474 -0.444 -7.313 1.00 0.29 O ATOM 1757 CB GLU A 113 -14.913 -2.150 -6.633 1.00 0.40 C ATOM 1758 CG GLU A 113 -13.806 -2.999 -7.231 1.00 0.53 C ATOM 1759 CD GLU A 113 -13.687 -2.877 -8.746 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -12.990 -1.960 -9.228 1.00 2.51 O ATOM 1761 OE2 GLU A 113 -14.285 -3.706 -9.464 1.00 2.34 O ATOM 0 H GLU A 113 -13.242 -0.305 -6.555 1.00 0.23 H new ATOM 0 HA GLU A 113 -15.228 -1.072 -8.427 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -14.684 -1.945 -5.587 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -15.847 -2.712 -6.651 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -12.857 -2.714 -6.777 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -13.982 -4.043 -6.973 1.00 0.53 H new ATOM 1768 N SER A 114 -16.176 0.887 -6.051 1.00 0.18 N ATOM 1769 CA SER A 114 -17.278 1.716 -5.600 1.00 0.19 C ATOM 1770 C SER A 114 -17.605 2.730 -6.681 1.00 0.22 C ATOM 1771 O SER A 114 -18.762 2.963 -7.013 1.00 0.28 O ATOM 1772 CB SER A 114 -16.902 2.421 -4.298 1.00 0.18 C ATOM 1773 OG SER A 114 -16.588 1.478 -3.287 1.00 0.20 O ATOM 0 H SER A 114 -15.269 1.145 -5.663 1.00 0.18 H new ATOM 0 HA SER A 114 -18.155 1.097 -5.411 1.00 0.19 H new ATOM 0 HB2 SER A 114 -16.048 3.077 -4.468 1.00 0.18 H new ATOM 0 HB3 SER A 114 -17.728 3.052 -3.969 1.00 0.18 H new ATOM 0 HG SER A 114 -15.721 1.066 -3.482 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.556 3.274 -7.272 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.674 4.259 -8.335 1.00 0.27 C ATOM 1781 C VAL A 115 -17.310 3.613 -9.547 1.00 0.28 C ATOM 1782 O VAL A 115 -18.056 4.236 -10.298 1.00 0.31 O ATOM 1783 CB VAL A 115 -15.279 4.783 -8.706 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -15.336 5.747 -9.872 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -14.633 5.425 -7.501 1.00 1.10 C ATOM 0 H VAL A 115 -15.593 3.044 -7.027 1.00 0.21 H new ATOM 0 HA VAL A 115 -17.294 5.089 -7.996 1.00 0.27 H new ATOM 0 HB VAL A 115 -14.670 3.936 -9.022 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -14.330 6.096 -10.105 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -15.755 5.241 -10.742 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -15.964 6.599 -9.610 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -13.644 5.794 -7.772 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -15.249 6.256 -7.157 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -14.539 4.689 -6.703 1.00 1.10 H new ATOM 1795 N ASP A 116 -16.996 2.343 -9.685 1.00 0.28 N ATOM 1796 CA ASP A 116 -17.488 1.491 -10.746 1.00 0.34 C ATOM 1797 C ASP A 116 -19.006 1.560 -10.856 1.00 0.35 C ATOM 1798 O ASP A 116 -19.553 1.790 -11.934 1.00 0.41 O ATOM 1799 CB ASP A 116 -17.049 0.072 -10.417 1.00 0.37 C ATOM 1800 CG ASP A 116 -17.317 -0.923 -11.527 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -18.487 -1.285 -11.752 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -16.343 -1.363 -12.173 1.00 0.60 O ATOM 0 H ASP A 116 -16.371 1.859 -9.041 1.00 0.28 H new ATOM 0 HA ASP A 116 -17.086 1.817 -11.705 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -15.982 0.074 -10.193 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -17.563 -0.258 -9.514 1.00 0.37 H new ATOM 1807 N LYS A 117 -19.677 1.380 -9.724 1.00 0.32 N ATOM 1808 CA LYS A 117 -21.132 1.411 -9.680 1.00 0.35 C ATOM 1809 C LYS A 117 -21.629 2.841 -9.491 1.00 0.34 C ATOM 1810 O LYS A 117 -22.809 3.064 -9.211 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.650 0.548 -8.527 1.00 0.37 C ATOM 1812 CG LYS A 117 -20.700 -0.552 -8.083 1.00 0.36 C ATOM 1813 CD LYS A 117 -20.460 -1.578 -9.169 1.00 0.45 C ATOM 1814 CE LYS A 117 -19.818 -2.829 -8.600 1.00 0.61 C ATOM 1815 NZ LYS A 117 -20.691 -3.474 -7.582 1.00 1.62 N ATOM 0 H LYS A 117 -19.233 1.210 -8.821 1.00 0.32 H new ATOM 0 HA LYS A 117 -21.506 1.018 -10.625 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -21.862 1.193 -7.674 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -22.595 0.095 -8.826 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -19.749 -0.110 -7.788 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -21.108 -1.048 -7.202 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -21.405 -1.835 -9.647 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -19.817 -1.153 -9.940 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -19.615 -3.534 -9.406 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -18.859 -2.574 -8.150 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -20.453 -4.484 -7.510 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -20.544 -3.017 -6.659 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -21.687 -3.372 -7.864 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.709 3.796 -9.632 1.00 0.31 N ATOM 1830 CA GLU A 118 -21.002 5.215 -9.445 1.00 0.33 C ATOM 1831 C GLU A 118 -21.358 5.492 -7.990 1.00 0.31 C ATOM 1832 O GLU A 118 -22.288 6.238 -7.683 1.00 0.38 O ATOM 1833 CB GLU A 118 -22.116 5.671 -10.390 1.00 0.40 C ATOM 1834 CG GLU A 118 -21.739 5.541 -11.857 1.00 0.49 C ATOM 1835 CD GLU A 118 -22.886 5.863 -12.784 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -23.145 7.060 -13.022 1.00 1.07 O ATOM 1837 OE2 GLU A 118 -23.533 4.921 -13.285 1.00 1.88 O ATOM 0 H GLU A 118 -19.738 3.606 -9.880 1.00 0.31 H new ATOM 0 HA GLU A 118 -20.110 5.791 -9.691 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -23.013 5.082 -10.197 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -22.365 6.710 -10.175 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -20.904 6.207 -12.074 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -21.395 4.525 -12.051 1.00 0.49 H new ATOM 1844 N MET A 119 -20.579 4.893 -7.103 1.00 0.26 N ATOM 1845 CA MET A 119 -20.746 5.055 -5.667 1.00 0.26 C ATOM 1846 C MET A 119 -19.481 5.687 -5.114 1.00 0.25 C ATOM 1847 O MET A 119 -18.903 5.231 -4.132 1.00 0.23 O ATOM 1848 CB MET A 119 -20.986 3.702 -4.996 1.00 0.25 C ATOM 1849 CG MET A 119 -22.121 2.901 -5.603 1.00 0.28 C ATOM 1850 SD MET A 119 -22.246 1.251 -4.887 1.00 0.31 S ATOM 1851 CE MET A 119 -20.541 0.714 -5.007 1.00 0.29 C ATOM 0 H MET A 119 -19.808 4.277 -7.361 1.00 0.26 H new ATOM 0 HA MET A 119 -21.610 5.688 -5.466 1.00 0.26 H new ATOM 0 HB2 MET A 119 -20.070 3.114 -5.052 1.00 0.25 H new ATOM 0 HB3 MET A 119 -21.196 3.865 -3.939 1.00 0.25 H new ATOM 0 HG2 MET A 119 -23.060 3.433 -5.453 1.00 0.28 H new ATOM 0 HG3 MET A 119 -21.970 2.818 -6.679 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.503 -0.375 -5.020 1.00 0.29 H new ATOM 0 HE2 MET A 119 -20.101 1.103 -5.925 1.00 0.29 H new ATOM 0 HE3 MET A 119 -19.981 1.087 -4.149 1.00 0.29 H new ATOM 1861 N GLN A 120 -19.061 6.743 -5.776 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.820 7.432 -5.478 1.00 0.31 C ATOM 1863 C GLN A 120 -17.818 8.058 -4.084 1.00 0.32 C ATOM 1864 O GLN A 120 -16.801 8.576 -3.633 1.00 0.33 O ATOM 1865 CB GLN A 120 -17.608 8.484 -6.549 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.762 7.909 -7.945 1.00 0.36 C ATOM 1867 CD GLN A 120 -18.680 8.730 -8.827 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -19.302 8.081 -9.799 1.00 1.15 O flip ATOM 1869 NE2 GLN A 120 -18.819 9.938 -8.651 1.00 0.55 N flip ATOM 0 H GLN A 120 -19.580 7.156 -6.551 1.00 0.31 H new ATOM 0 HA GLN A 120 -17.002 6.712 -5.478 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -18.324 9.294 -6.409 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -16.613 8.916 -6.442 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -16.781 7.842 -8.414 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -18.150 6.893 -7.872 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -18.323 10.403 -7.891 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -19.431 10.476 -9.265 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.956 8.027 -3.411 1.00 0.32 N ATOM 1879 CA VAL A 121 -19.030 8.482 -2.030 1.00 0.35 C ATOM 1880 C VAL A 121 -18.196 7.582 -1.112 1.00 0.31 C ATOM 1881 O VAL A 121 -17.699 8.027 -0.079 1.00 0.36 O ATOM 1882 CB VAL A 121 -20.486 8.523 -1.518 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -21.318 9.488 -2.346 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -21.101 7.134 -1.535 1.00 0.38 C ATOM 0 H VAL A 121 -19.840 7.693 -3.796 1.00 0.32 H new ATOM 0 HA VAL A 121 -18.627 9.494 -2.009 1.00 0.35 H new ATOM 0 HB VAL A 121 -20.475 8.878 -0.487 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -22.341 9.502 -1.969 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -20.891 10.489 -2.276 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -21.319 9.166 -3.387 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -22.127 7.186 -1.170 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -21.097 6.747 -2.554 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.521 6.471 -0.893 1.00 0.38 H new ATOM 1894 N LEU A 122 -18.027 6.319 -1.507 1.00 0.24 N ATOM 1895 CA LEU A 122 -17.255 5.365 -0.714 1.00 0.21 C ATOM 1896 C LEU A 122 -15.779 5.675 -0.795 1.00 0.19 C ATOM 1897 O LEU A 122 -15.031 5.364 0.121 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.480 3.920 -1.176 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.822 3.295 -0.803 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -19.156 3.586 0.646 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.922 3.781 -1.725 1.00 0.22 C ATOM 0 H LEU A 122 -18.414 5.935 -2.369 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.601 5.461 0.315 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.376 3.887 -2.261 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.686 3.300 -0.761 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.743 2.215 -0.924 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -20.116 3.134 0.896 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.380 3.170 1.289 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -19.213 4.664 0.797 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.867 3.321 -1.438 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -20.008 4.865 -1.649 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.683 3.507 -2.753 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.378 6.287 -1.897 1.00 0.19 N ATOM 1914 CA VAL A 123 -13.987 6.652 -2.132 1.00 0.20 C ATOM 1915 C VAL A 123 -13.345 7.275 -0.897 1.00 0.22 C ATOM 1916 O VAL A 123 -12.300 6.822 -0.426 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.905 7.633 -3.313 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.504 8.206 -3.480 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -14.364 6.927 -4.579 1.00 0.23 C ATOM 0 H VAL A 123 -16.008 6.546 -2.657 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.437 5.740 -2.364 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.563 8.478 -3.110 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -12.491 8.894 -4.325 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -12.219 8.740 -2.573 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.798 7.395 -3.661 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -14.308 7.617 -5.421 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.720 6.068 -4.770 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -15.393 6.589 -4.454 1.00 0.23 H new ATOM 1929 N SER A 124 -13.988 8.299 -0.372 1.00 0.24 N ATOM 1930 CA SER A 124 -13.495 9.010 0.780 1.00 0.28 C ATOM 1931 C SER A 124 -13.662 8.188 2.055 1.00 0.27 C ATOM 1932 O SER A 124 -12.811 8.222 2.947 1.00 0.33 O ATOM 1933 CB SER A 124 -14.274 10.309 0.865 1.00 0.36 C ATOM 1934 OG SER A 124 -15.403 10.257 0.005 1.00 1.35 O ATOM 0 H SER A 124 -14.870 8.659 -0.737 1.00 0.24 H new ATOM 0 HA SER A 124 -12.427 9.205 0.678 1.00 0.28 H new ATOM 0 HB2 SER A 124 -14.597 10.482 1.892 1.00 0.36 H new ATOM 0 HB3 SER A 124 -13.633 11.146 0.587 1.00 0.36 H new ATOM 0 HG SER A 124 -15.127 10.474 -0.910 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.756 7.436 2.120 1.00 0.23 N ATOM 1941 CA ARG A 125 -15.071 6.623 3.287 1.00 0.23 C ATOM 1942 C ARG A 125 -14.029 5.533 3.468 1.00 0.21 C ATOM 1943 O ARG A 125 -13.447 5.384 4.540 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.455 5.988 3.138 1.00 0.28 C ATOM 1945 CG ARG A 125 -17.554 6.987 2.837 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.924 6.346 2.885 1.00 0.55 C ATOM 1947 NE ARG A 125 -19.990 7.314 2.637 1.00 1.44 N ATOM 1948 CZ ARG A 125 -21.229 7.200 3.114 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -21.542 6.195 3.928 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -22.149 8.106 2.795 1.00 2.67 N ATOM 0 H ARG A 125 -15.444 7.374 1.370 1.00 0.23 H new ATOM 0 HA ARG A 125 -15.068 7.270 4.164 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.421 5.247 2.339 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -16.702 5.456 4.057 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -17.510 7.804 3.557 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -17.390 7.422 1.851 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -18.978 5.549 2.143 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -19.074 5.884 3.861 1.00 0.55 H new ATOM 0 HE ARG A 125 -19.772 8.128 2.063 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -20.833 5.510 4.188 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -22.491 6.110 4.292 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -21.906 8.887 2.186 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -23.098 8.020 3.160 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.798 4.780 2.404 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.826 3.698 2.412 1.00 0.19 C ATOM 1966 C ILE A 126 -11.464 4.199 2.870 1.00 0.20 C ATOM 1967 O ILE A 126 -10.881 3.644 3.798 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.709 3.051 1.015 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -14.089 2.558 0.569 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.714 1.900 1.037 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -14.154 2.087 -0.862 1.00 0.18 C ATOM 0 H ILE A 126 -14.278 4.901 1.512 1.00 0.19 H new ATOM 0 HA ILE A 126 -13.175 2.943 3.116 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.345 3.795 0.306 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.397 1.741 1.221 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.810 3.364 0.706 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.647 1.458 0.043 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.734 2.272 1.336 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -12.048 1.144 1.748 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -15.167 1.756 -1.091 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.881 2.906 -1.527 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.461 1.258 -1.004 1.00 0.18 H new ATOM 1983 N ALA A 127 -10.978 5.268 2.243 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.672 5.824 2.581 1.00 0.24 C ATOM 1985 C ALA A 127 -9.594 6.207 4.058 1.00 0.24 C ATOM 1986 O ALA A 127 -8.549 6.049 4.696 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.368 7.031 1.711 1.00 0.27 C ATOM 0 H ALA A 127 -11.469 5.765 1.500 1.00 0.21 H new ATOM 0 HA ALA A 127 -8.925 5.053 2.393 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.390 7.434 1.976 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -9.365 6.733 0.663 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -10.130 7.794 1.869 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.706 6.703 4.592 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.793 7.060 6.003 1.00 0.22 C ATOM 1995 C ALA A 128 -10.563 5.842 6.879 1.00 0.23 C ATOM 1996 O ALA A 128 -9.638 5.804 7.692 1.00 0.28 O ATOM 1997 CB ALA A 128 -12.160 7.642 6.316 1.00 0.23 C ATOM 0 H ALA A 128 -11.564 6.867 4.065 1.00 0.21 H new ATOM 0 HA ALA A 128 -10.022 7.803 6.209 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -12.211 7.904 7.373 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -12.322 8.535 5.713 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -12.930 6.905 6.088 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.409 4.844 6.683 1.00 0.25 N ATOM 2004 CA TRP A 129 -11.381 3.635 7.483 1.00 0.35 C ATOM 2005 C TRP A 129 -10.078 2.864 7.286 1.00 0.25 C ATOM 2006 O TRP A 129 -9.577 2.240 8.222 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.577 2.756 7.129 1.00 0.56 C ATOM 2008 CG TRP A 129 -13.898 3.334 7.540 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.767 4.028 6.752 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -14.503 3.261 8.837 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -15.871 4.397 7.477 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -15.735 3.936 8.760 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -14.122 2.692 10.056 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -16.588 4.057 9.854 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -14.970 2.812 11.141 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -16.191 3.489 11.033 1.00 3.91 C ATOM 0 H TRP A 129 -12.133 4.851 5.965 1.00 0.25 H new ATOM 0 HA TRP A 129 -11.439 3.920 8.534 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -12.585 2.586 6.052 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -12.454 1.783 7.604 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -14.609 4.254 5.708 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -16.665 4.928 7.119 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -13.182 2.168 10.148 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -17.529 4.581 9.774 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -14.686 2.376 12.088 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -16.832 3.564 11.899 1.00 3.91 H new ATOM 2027 N MET A 130 -9.530 2.916 6.075 1.00 0.24 N ATOM 2028 CA MET A 130 -8.266 2.249 5.775 1.00 0.26 C ATOM 2029 C MET A 130 -7.141 2.821 6.622 1.00 0.25 C ATOM 2030 O MET A 130 -6.444 2.091 7.330 1.00 0.29 O ATOM 2031 CB MET A 130 -7.909 2.403 4.299 1.00 0.31 C ATOM 2032 CG MET A 130 -8.781 1.587 3.366 1.00 0.29 C ATOM 2033 SD MET A 130 -8.404 1.909 1.636 1.00 1.08 S ATOM 2034 CE MET A 130 -6.694 1.398 1.571 1.00 0.31 C ATOM 0 H MET A 130 -9.941 3.413 5.285 1.00 0.24 H new ATOM 0 HA MET A 130 -8.389 1.191 6.006 1.00 0.26 H new ATOM 0 HB2 MET A 130 -7.986 3.455 4.025 1.00 0.31 H new ATOM 0 HB3 MET A 130 -6.869 2.112 4.155 1.00 0.31 H new ATOM 0 HG2 MET A 130 -8.643 0.526 3.576 1.00 0.29 H new ATOM 0 HG3 MET A 130 -9.829 1.816 3.557 1.00 0.29 H new ATOM 0 HE1 MET A 130 -6.342 1.435 0.540 1.00 0.31 H new ATOM 0 HE2 MET A 130 -6.091 2.067 2.185 1.00 0.31 H new ATOM 0 HE3 MET A 130 -6.604 0.380 1.949 1.00 0.31 H new ATOM 2044 N ALA A 131 -6.976 4.133 6.551 1.00 0.24 N ATOM 2045 CA ALA A 131 -5.919 4.804 7.288 1.00 0.24 C ATOM 2046 C ALA A 131 -6.128 4.670 8.788 1.00 0.24 C ATOM 2047 O ALA A 131 -5.172 4.468 9.531 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.833 6.266 6.893 1.00 0.25 C ATOM 0 H ALA A 131 -7.561 4.753 5.991 1.00 0.24 H new ATOM 0 HA ALA A 131 -4.976 4.321 7.033 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -5.035 6.749 7.457 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.621 6.343 5.827 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -6.781 6.758 7.111 1.00 0.25 H new ATOM 2054 N THR A 132 -7.376 4.778 9.230 1.00 0.26 N ATOM 2055 CA THR A 132 -7.692 4.626 10.643 1.00 0.29 C ATOM 2056 C THR A 132 -7.347 3.223 11.126 1.00 0.30 C ATOM 2057 O THR A 132 -6.777 3.048 12.203 1.00 0.32 O ATOM 2058 CB THR A 132 -9.176 4.903 10.929 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.499 6.261 10.586 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.487 4.648 12.396 1.00 0.40 C ATOM 0 H THR A 132 -8.181 4.969 8.633 1.00 0.26 H new ATOM 0 HA THR A 132 -7.091 5.359 11.181 1.00 0.29 H new ATOM 0 HB THR A 132 -9.781 4.230 10.321 1.00 0.32 H new ATOM 0 HG1 THR A 132 -9.594 6.339 9.614 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.542 4.848 12.584 1.00 0.40 H new ATOM 0 HG22 THR A 132 -9.266 3.609 12.640 1.00 0.40 H new ATOM 0 HG23 THR A 132 -8.877 5.304 13.017 1.00 0.40 H new ATOM 2068 N TYR A 133 -7.701 2.225 10.328 1.00 0.30 N ATOM 2069 CA TYR A 133 -7.355 0.850 10.643 1.00 0.32 C ATOM 2070 C TYR A 133 -5.847 0.718 10.817 1.00 0.32 C ATOM 2071 O TYR A 133 -5.377 0.059 11.740 1.00 0.37 O ATOM 2072 CB TYR A 133 -7.851 -0.098 9.549 1.00 0.33 C ATOM 2073 CG TYR A 133 -7.459 -1.539 9.780 1.00 0.93 C ATOM 2074 CD1 TYR A 133 -8.260 -2.387 10.536 1.00 1.29 C ATOM 2075 CD2 TYR A 133 -6.281 -2.048 9.250 1.00 1.72 C ATOM 2076 CE1 TYR A 133 -7.895 -3.702 10.754 1.00 1.93 C ATOM 2077 CE2 TYR A 133 -5.912 -3.357 9.466 1.00 2.40 C ATOM 2078 CZ TYR A 133 -6.718 -4.180 10.217 1.00 2.40 C ATOM 2079 OH TYR A 133 -6.344 -5.483 10.425 1.00 3.13 O ATOM 0 H TYR A 133 -8.226 2.343 9.461 1.00 0.30 H new ATOM 0 HA TYR A 133 -7.844 0.575 11.578 1.00 0.32 H new ATOM 0 HB2 TYR A 133 -8.937 -0.030 9.485 1.00 0.33 H new ATOM 0 HB3 TYR A 133 -7.454 0.229 8.588 1.00 0.33 H new ATOM 0 HD1 TYR A 133 -9.181 -2.013 10.959 1.00 1.29 H new ATOM 0 HD2 TYR A 133 -5.644 -1.407 8.659 1.00 1.72 H new ATOM 0 HE1 TYR A 133 -8.527 -4.351 11.341 1.00 1.93 H new ATOM 0 HE2 TYR A 133 -4.992 -3.736 9.047 1.00 2.40 H new ATOM 0 HH TYR A 133 -6.809 -6.063 9.786 1.00 3.13 H new ATOM 2089 N LEU A 134 -5.092 1.354 9.934 1.00 0.29 N ATOM 2090 CA LEU A 134 -3.645 1.372 10.059 1.00 0.30 C ATOM 2091 C LEU A 134 -3.263 2.096 11.352 1.00 0.32 C ATOM 2092 O LEU A 134 -2.461 1.598 12.136 1.00 0.35 O ATOM 2093 CB LEU A 134 -3.009 2.046 8.830 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.522 1.734 8.582 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -1.084 2.260 7.221 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -0.649 2.329 9.677 1.00 0.88 C ATOM 0 H LEU A 134 -5.456 1.862 9.128 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.266 0.351 10.104 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -3.574 1.751 7.946 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.121 3.125 8.934 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.401 0.651 8.597 1.00 0.48 H new ATOM 0 HD11 LEU A 134 -0.030 2.030 7.064 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -1.679 1.787 6.440 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -1.229 3.340 7.184 1.00 0.95 H new ATOM 0 HD21 LEU A 134 0.396 2.094 9.477 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -0.780 3.411 9.699 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -0.938 1.909 10.641 1.00 0.88 H new ATOM 2108 N ASN A 135 -3.863 3.261 11.563 1.00 0.31 N ATOM 2109 CA ASN A 135 -3.642 4.064 12.769 1.00 0.35 C ATOM 2110 C ASN A 135 -3.790 3.250 14.050 1.00 0.38 C ATOM 2111 O ASN A 135 -2.881 3.213 14.880 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.627 5.241 12.816 1.00 0.36 C ATOM 2113 CG ASN A 135 -4.093 6.501 12.172 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -3.495 7.347 12.833 1.00 0.46 O ATOM 2115 ND2 ASN A 135 -4.287 6.631 10.875 1.00 0.34 N ATOM 0 H ASN A 135 -4.519 3.680 10.904 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.616 4.428 12.714 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.551 4.951 12.317 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -4.879 5.452 13.855 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -3.936 7.455 10.387 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -4.788 5.908 10.359 1.00 0.34 H new ATOM 2122 N ASP A 136 -4.936 2.608 14.215 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.238 1.916 15.459 1.00 0.42 C ATOM 2124 C ASP A 136 -4.631 0.521 15.492 1.00 0.40 C ATOM 2125 O ASP A 136 -3.995 0.129 16.468 1.00 0.43 O ATOM 2126 CB ASP A 136 -6.752 1.823 15.655 1.00 0.45 C ATOM 2127 CG ASP A 136 -7.125 1.100 16.931 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -7.069 1.728 18.007 1.00 0.59 O ATOM 2129 OD2 ASP A 136 -7.492 -0.092 16.866 1.00 0.58 O ATOM 0 H ASP A 136 -5.669 2.551 13.508 1.00 0.38 H new ATOM 0 HA ASP A 136 -4.796 2.494 16.271 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -7.176 2.827 15.672 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -7.195 1.305 14.804 1.00 0.45 H new ATOM 2134 N HIS A 137 -4.817 -0.214 14.414 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.480 -1.629 14.383 1.00 0.38 C ATOM 2136 C HIS A 137 -3.056 -1.885 13.909 1.00 0.35 C ATOM 2137 O HIS A 137 -2.289 -2.585 14.565 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.455 -2.353 13.456 1.00 0.40 C ATOM 2139 CG HIS A 137 -6.778 -2.663 14.084 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -7.062 -3.871 14.680 1.00 1.18 N ATOM 2141 CD2 HIS A 137 -7.906 -1.921 14.187 1.00 1.45 C ATOM 2142 CE1 HIS A 137 -8.306 -3.860 15.121 1.00 1.13 C ATOM 2143 NE2 HIS A 137 -8.837 -2.689 14.833 1.00 1.34 N ATOM 0 H HIS A 137 -5.202 0.145 13.541 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.555 -2.005 15.403 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -5.620 -1.740 12.570 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -4.997 -3.283 13.120 1.00 0.40 H new ATOM 0 HD2 HIS A 137 -8.045 -0.912 13.827 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -8.804 -4.672 15.631 1.00 1.13 H new ATOM 0 HE2 HIS A 137 -9.790 -2.401 15.056 1.00 1.34 H new ATOM 2152 N LEU A 138 -2.707 -1.307 12.774 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.526 -1.707 12.055 1.00 0.29 C ATOM 2154 C LEU A 138 -0.244 -1.072 12.550 1.00 0.27 C ATOM 2155 O LEU A 138 0.751 -1.767 12.706 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.739 -1.378 10.597 1.00 0.30 C ATOM 2157 CG LEU A 138 -1.866 -2.586 9.702 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -2.412 -3.784 10.463 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.754 -2.264 8.519 1.00 1.20 C ATOM 0 H LEU A 138 -3.234 -0.553 12.333 1.00 0.32 H new ATOM 0 HA LEU A 138 -1.392 -2.776 12.218 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -2.640 -0.772 10.501 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -0.906 -0.768 10.248 1.00 0.30 H new ATOM 0 HG LEU A 138 -0.871 -2.847 9.341 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -2.491 -4.637 9.790 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -1.739 -4.031 11.284 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -3.398 -3.543 10.861 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -2.840 -3.142 7.879 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -3.743 -1.976 8.874 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -2.319 -1.442 7.951 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.264 0.235 12.767 1.00 0.30 N ATOM 2172 CA GLU A 139 0.949 0.983 13.107 1.00 0.31 C ATOM 2173 C GLU A 139 1.800 0.269 14.171 1.00 0.30 C ATOM 2174 O GLU A 139 2.990 0.058 13.942 1.00 0.30 O ATOM 2175 CB GLU A 139 0.632 2.407 13.558 1.00 0.38 C ATOM 2176 CG GLU A 139 1.876 3.272 13.657 1.00 0.40 C ATOM 2177 CD GLU A 139 1.628 4.585 14.366 1.00 0.49 C ATOM 2178 OE1 GLU A 139 1.527 4.584 15.605 1.00 0.61 O ATOM 2179 OE2 GLU A 139 1.513 5.622 13.680 1.00 0.75 O ATOM 0 H GLU A 139 -1.108 0.806 12.715 1.00 0.30 H new ATOM 0 HA GLU A 139 1.535 1.034 12.189 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -0.068 2.860 12.856 1.00 0.38 H new ATOM 0 HB3 GLU A 139 0.136 2.376 14.528 1.00 0.38 H new ATOM 0 HG2 GLU A 139 2.654 2.721 14.186 1.00 0.40 H new ATOM 0 HG3 GLU A 139 2.253 3.472 12.654 1.00 0.40 H new ATOM 2186 N PRO A 140 1.224 -0.128 15.334 1.00 0.32 N ATOM 2187 CA PRO A 140 1.976 -0.877 16.351 1.00 0.34 C ATOM 2188 C PRO A 140 2.640 -2.118 15.762 1.00 0.32 C ATOM 2189 O PRO A 140 3.849 -2.301 15.884 1.00 0.34 O ATOM 2190 CB PRO A 140 0.909 -1.281 17.369 1.00 0.40 C ATOM 2191 CG PRO A 140 -0.173 -0.276 17.209 1.00 0.56 C ATOM 2192 CD PRO A 140 -0.172 0.111 15.759 1.00 0.36 C ATOM 0 HA PRO A 140 2.784 -0.284 16.781 1.00 0.34 H new ATOM 0 HB2 PRO A 140 0.543 -2.290 17.178 1.00 0.40 H new ATOM 0 HB3 PRO A 140 1.308 -1.274 18.383 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -1.137 -0.692 17.500 1.00 0.56 H new ATOM 0 HG3 PRO A 140 0.005 0.592 17.844 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -0.875 -0.491 15.183 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -0.459 1.154 15.622 1.00 0.36 H new ATOM 2200 N TRP A 141 1.832 -2.943 15.101 1.00 0.31 N ATOM 2201 CA TRP A 141 2.300 -4.171 14.462 1.00 0.32 C ATOM 2202 C TRP A 141 3.440 -3.864 13.492 1.00 0.31 C ATOM 2203 O TRP A 141 4.497 -4.483 13.547 1.00 0.36 O ATOM 2204 CB TRP A 141 1.134 -4.823 13.713 1.00 0.35 C ATOM 2205 CG TRP A 141 1.152 -6.321 13.724 1.00 0.36 C ATOM 2206 CD1 TRP A 141 2.087 -7.141 13.164 1.00 0.43 C ATOM 2207 CD2 TRP A 141 0.167 -7.180 14.313 1.00 0.63 C ATOM 2208 NE1 TRP A 141 1.745 -8.456 13.371 1.00 0.60 N ATOM 2209 CE2 TRP A 141 0.572 -8.505 14.076 1.00 0.70 C ATOM 2210 CE3 TRP A 141 -1.018 -6.955 15.021 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 -0.164 -9.600 14.519 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 -1.748 -8.043 15.461 1.00 1.19 C ATOM 2213 CH2 TRP A 141 -1.318 -9.352 15.209 1.00 1.20 C ATOM 0 H TRP A 141 0.831 -2.779 14.993 1.00 0.31 H new ATOM 0 HA TRP A 141 2.673 -4.855 15.225 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.198 -4.480 14.153 1.00 0.35 H new ATOM 0 HB3 TRP A 141 1.145 -4.479 12.679 1.00 0.35 H new ATOM 0 HD1 TRP A 141 2.967 -6.806 12.635 1.00 0.43 H new ATOM 0 HE1 TRP A 141 2.278 -9.264 13.051 1.00 0.60 H new ATOM 0 HE3 TRP A 141 -1.357 -5.949 15.220 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 0.165 -10.610 14.325 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -2.665 -7.881 16.008 1.00 1.19 H new ATOM 0 HH2 TRP A 141 -1.910 -10.182 15.567 1.00 1.20 H new ATOM 2224 N ILE A 142 3.206 -2.896 12.611 1.00 0.26 N ATOM 2225 CA ILE A 142 4.223 -2.394 11.692 1.00 0.26 C ATOM 2226 C ILE A 142 5.542 -2.119 12.403 1.00 0.29 C ATOM 2227 O ILE A 142 6.594 -2.608 11.995 1.00 0.32 O ATOM 2228 CB ILE A 142 3.722 -1.094 11.044 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.543 -1.404 10.136 1.00 0.28 C ATOM 2230 CG2 ILE A 142 4.835 -0.393 10.284 1.00 0.28 C ATOM 2231 CD1 ILE A 142 1.714 -0.199 9.785 1.00 0.26 C ATOM 0 H ILE A 142 2.301 -2.435 12.514 1.00 0.26 H new ATOM 0 HA ILE A 142 4.399 -3.159 10.936 1.00 0.26 H new ATOM 0 HB ILE A 142 3.394 -0.411 11.828 1.00 0.25 H new ATOM 0 HG12 ILE A 142 2.914 -1.859 9.217 1.00 0.28 H new ATOM 0 HG13 ILE A 142 1.906 -2.143 10.623 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.449 0.523 9.837 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.646 -0.149 10.970 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.209 -1.050 9.499 1.00 0.28 H new ATOM 0 HD11 ILE A 142 0.892 -0.500 9.135 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.312 0.244 10.696 1.00 0.26 H new ATOM 0 HD13 ILE A 142 2.336 0.533 9.269 1.00 0.26 H new ATOM 2243 N GLN A 143 5.475 -1.323 13.457 1.00 0.30 N ATOM 2244 CA GLN A 143 6.658 -0.949 14.217 1.00 0.35 C ATOM 2245 C GLN A 143 7.337 -2.170 14.847 1.00 0.39 C ATOM 2246 O GLN A 143 8.555 -2.181 15.015 1.00 0.43 O ATOM 2247 CB GLN A 143 6.293 0.071 15.286 1.00 0.41 C ATOM 2248 CG GLN A 143 5.608 1.310 14.732 1.00 0.43 C ATOM 2249 CD GLN A 143 6.453 2.057 13.718 1.00 0.48 C ATOM 2250 OE1 GLN A 143 7.684 2.034 13.769 1.00 0.57 O ATOM 2251 NE2 GLN A 143 5.794 2.732 12.792 1.00 0.52 N ATOM 0 H GLN A 143 4.607 -0.920 13.809 1.00 0.30 H new ATOM 0 HA GLN A 143 7.371 -0.500 13.526 1.00 0.35 H new ATOM 0 HB2 GLN A 143 5.637 -0.400 16.018 1.00 0.41 H new ATOM 0 HB3 GLN A 143 7.198 0.371 15.815 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.666 1.019 14.267 1.00 0.43 H new ATOM 0 HG3 GLN A 143 5.363 1.981 15.556 1.00 0.43 H new ATOM 0 HE21 GLN A 143 4.774 2.725 12.785 1.00 0.52 H new ATOM 0 HE22 GLN A 143 6.305 3.260 12.085 1.00 0.52 H new ATOM 2260 N GLU A 144 6.553 -3.205 15.173 1.00 0.40 N ATOM 2261 CA GLU A 144 7.103 -4.459 15.691 1.00 0.47 C ATOM 2262 C GLU A 144 7.959 -5.128 14.626 1.00 0.48 C ATOM 2263 O GLU A 144 8.806 -5.972 14.912 1.00 0.55 O ATOM 2264 CB GLU A 144 5.969 -5.408 16.073 1.00 0.51 C ATOM 2265 CG GLU A 144 4.961 -4.809 17.027 1.00 0.52 C ATOM 2266 CD GLU A 144 5.398 -4.876 18.473 1.00 0.61 C ATOM 2267 OE1 GLU A 144 6.102 -3.951 18.922 1.00 0.67 O ATOM 2268 OE2 GLU A 144 5.046 -5.854 19.163 1.00 0.78 O ATOM 0 H GLU A 144 5.537 -3.197 15.086 1.00 0.40 H new ATOM 0 HA GLU A 144 7.710 -4.236 16.569 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.453 -5.724 15.167 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.395 -6.303 16.526 1.00 0.51 H new ATOM 0 HG2 GLU A 144 4.786 -3.768 16.755 1.00 0.52 H new ATOM 0 HG3 GLU A 144 4.011 -5.331 16.917 1.00 0.52 H new ATOM 2275 N ASN A 145 7.711 -4.739 13.388 1.00 0.44 N ATOM 2276 CA ASN A 145 8.380 -5.320 12.236 1.00 0.48 C ATOM 2277 C ASN A 145 9.427 -4.343 11.735 1.00 0.47 C ATOM 2278 O ASN A 145 10.100 -4.572 10.729 1.00 0.57 O ATOM 2279 CB ASN A 145 7.367 -5.633 11.121 1.00 0.49 C ATOM 2280 CG ASN A 145 6.330 -6.683 11.508 1.00 0.58 C ATOM 2281 OD1 ASN A 145 5.913 -6.678 12.768 1.00 0.93 O flip ATOM 2282 ND2 ASN A 145 5.894 -7.477 10.674 1.00 0.54 N flip ATOM 0 H ASN A 145 7.038 -4.009 13.152 1.00 0.44 H new ATOM 0 HA ASN A 145 8.857 -6.256 12.528 1.00 0.48 H new ATOM 0 HB2 ASN A 145 6.853 -4.713 10.842 1.00 0.49 H new ATOM 0 HB3 ASN A 145 7.907 -5.977 10.239 1.00 0.49 H new ATOM 0 HD21 ASN A 145 6.239 -7.450 9.715 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.187 -8.162 10.942 1.00 0.54 H new ATOM 2289 N GLY A 146 9.538 -3.237 12.452 1.00 0.42 N ATOM 2290 CA GLY A 146 10.520 -2.230 12.143 1.00 0.45 C ATOM 2291 C GLY A 146 9.899 -0.857 12.000 1.00 0.44 C ATOM 2292 O GLY A 146 10.299 0.090 12.677 1.00 0.56 O ATOM 0 H GLY A 146 8.951 -3.020 13.257 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.275 -2.206 12.929 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.032 -2.495 11.218 1.00 0.45 H new ATOM 2296 N GLY A 147 8.904 -0.758 11.136 1.00 0.36 N ATOM 2297 CA GLY A 147 8.270 0.516 10.875 1.00 0.36 C ATOM 2298 C GLY A 147 8.011 0.722 9.400 1.00 0.38 C ATOM 2299 O GLY A 147 8.304 -0.159 8.588 1.00 0.49 O ATOM 0 H GLY A 147 8.521 -1.542 10.607 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.328 0.572 11.421 1.00 0.36 H new ATOM 0 HA3 GLY A 147 8.903 1.321 11.249 1.00 0.36 H new ATOM 2303 N TRP A 148 7.473 1.882 9.048 1.00 0.35 N ATOM 2304 CA TRP A 148 7.160 2.188 7.661 1.00 0.37 C ATOM 2305 C TRP A 148 8.443 2.331 6.855 1.00 0.38 C ATOM 2306 O TRP A 148 8.571 1.786 5.759 1.00 0.40 O ATOM 2307 CB TRP A 148 6.353 3.481 7.554 1.00 0.39 C ATOM 2308 CG TRP A 148 5.005 3.434 8.201 1.00 0.46 C ATOM 2309 CD1 TRP A 148 4.078 2.440 8.096 1.00 0.79 C ATOM 2310 CD2 TRP A 148 4.418 4.448 9.023 1.00 1.45 C ATOM 2311 NE1 TRP A 148 2.957 2.767 8.816 1.00 0.52 N ATOM 2312 CE2 TRP A 148 3.141 3.995 9.394 1.00 1.25 C ATOM 2313 CE3 TRP A 148 4.853 5.693 9.487 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 2.292 4.743 10.206 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 4.010 6.435 10.291 1.00 3.57 C ATOM 2316 CH2 TRP A 148 2.743 5.957 10.644 1.00 3.32 C ATOM 0 H TRP A 148 7.244 2.627 9.706 1.00 0.35 H new ATOM 0 HA TRP A 148 6.564 1.367 7.263 1.00 0.37 H new ATOM 0 HB2 TRP A 148 6.928 4.290 8.004 1.00 0.39 H new ATOM 0 HB3 TRP A 148 6.226 3.728 6.500 1.00 0.39 H new ATOM 0 HD1 TRP A 148 4.207 1.530 7.530 1.00 0.79 H new ATOM 0 HE1 TRP A 148 2.121 2.189 8.906 1.00 0.52 H new ATOM 0 HE3 TRP A 148 5.830 6.068 9.222 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 1.313 4.377 10.480 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 4.334 7.400 10.653 1.00 3.57 H new ATOM 0 HH2 TRP A 148 2.108 6.560 11.276 1.00 3.32 H new ATOM 2327 N ASP A 149 9.393 3.062 7.421 1.00 0.42 N ATOM 2328 CA ASP A 149 10.684 3.286 6.785 1.00 0.47 C ATOM 2329 C ASP A 149 11.449 1.983 6.625 1.00 0.47 C ATOM 2330 O ASP A 149 12.163 1.789 5.642 1.00 0.52 O ATOM 2331 CB ASP A 149 11.512 4.280 7.598 1.00 0.56 C ATOM 2332 CG ASP A 149 11.497 3.979 9.084 1.00 1.23 C ATOM 2333 OD1 ASP A 149 10.467 4.255 9.738 1.00 1.96 O ATOM 2334 OD2 ASP A 149 12.508 3.470 9.608 1.00 1.72 O ATOM 0 H ASP A 149 9.292 3.515 8.329 1.00 0.42 H new ATOM 0 HA ASP A 149 10.501 3.700 5.793 1.00 0.47 H new ATOM 0 HB2 ASP A 149 12.541 4.267 7.240 1.00 0.56 H new ATOM 0 HB3 ASP A 149 11.129 5.287 7.432 1.00 0.56 H new ATOM 2339 N THR A 150 11.291 1.086 7.581 1.00 0.47 N ATOM 2340 CA THR A 150 11.953 -0.199 7.520 1.00 0.51 C ATOM 2341 C THR A 150 11.423 -1.051 6.377 1.00 0.50 C ATOM 2342 O THR A 150 12.153 -1.847 5.798 1.00 0.56 O ATOM 2343 CB THR A 150 11.836 -0.971 8.833 1.00 0.56 C ATOM 2344 OG1 THR A 150 12.364 -0.176 9.900 1.00 0.62 O ATOM 2345 CG2 THR A 150 12.612 -2.270 8.726 1.00 0.67 C ATOM 0 H THR A 150 10.710 1.226 8.408 1.00 0.47 H new ATOM 0 HA THR A 150 13.007 0.013 7.341 1.00 0.51 H new ATOM 0 HB THR A 150 10.789 -1.195 9.035 1.00 0.56 H new ATOM 0 HG1 THR A 150 13.218 0.218 9.623 1.00 0.62 H new ATOM 0 HG21 THR A 150 12.529 -2.822 9.662 1.00 0.67 H new ATOM 0 HG22 THR A 150 12.204 -2.871 7.913 1.00 0.67 H new ATOM 0 HG23 THR A 150 13.661 -2.052 8.525 1.00 0.67 H new ATOM 2353 N PHE A 151 10.163 -0.876 6.037 1.00 0.45 N ATOM 2354 CA PHE A 151 9.611 -1.568 4.886 1.00 0.47 C ATOM 2355 C PHE A 151 10.392 -1.191 3.632 1.00 0.48 C ATOM 2356 O PHE A 151 10.666 -2.035 2.785 1.00 0.55 O ATOM 2357 CB PHE A 151 8.126 -1.243 4.704 1.00 0.47 C ATOM 2358 CG PHE A 151 7.541 -1.828 3.452 1.00 1.18 C ATOM 2359 CD1 PHE A 151 7.219 -3.170 3.386 1.00 1.80 C ATOM 2360 CD2 PHE A 151 7.328 -1.037 2.334 1.00 1.75 C ATOM 2361 CE1 PHE A 151 6.692 -3.716 2.233 1.00 2.65 C ATOM 2362 CE2 PHE A 151 6.805 -1.578 1.178 1.00 2.61 C ATOM 2363 CZ PHE A 151 6.487 -2.918 1.128 1.00 3.00 C ATOM 0 H PHE A 151 9.508 -0.270 6.531 1.00 0.45 H new ATOM 0 HA PHE A 151 9.700 -2.641 5.056 1.00 0.47 H new ATOM 0 HB2 PHE A 151 7.571 -1.616 5.565 1.00 0.47 H new ATOM 0 HB3 PHE A 151 7.997 -0.161 4.686 1.00 0.47 H new ATOM 0 HD1 PHE A 151 7.382 -3.800 4.248 1.00 1.80 H new ATOM 0 HD2 PHE A 151 7.574 0.014 2.368 1.00 1.75 H new ATOM 0 HE1 PHE A 151 6.441 -4.766 2.197 1.00 2.65 H new ATOM 0 HE2 PHE A 151 6.645 -0.952 0.313 1.00 2.61 H new ATOM 0 HZ PHE A 151 6.077 -3.343 0.223 1.00 3.00 H new ATOM 2373 N VAL A 152 10.777 0.074 3.539 1.00 0.45 N ATOM 2374 CA VAL A 152 11.566 0.550 2.412 1.00 0.49 C ATOM 2375 C VAL A 152 13.020 0.094 2.555 1.00 0.57 C ATOM 2376 O VAL A 152 13.740 -0.039 1.565 1.00 0.64 O ATOM 2377 CB VAL A 152 11.463 2.090 2.216 1.00 0.60 C ATOM 2378 CG1 VAL A 152 10.384 2.671 3.108 1.00 1.15 C ATOM 2379 CG2 VAL A 152 12.789 2.804 2.444 1.00 0.91 C ATOM 0 H VAL A 152 10.555 0.790 4.231 1.00 0.45 H new ATOM 0 HA VAL A 152 11.149 0.105 1.508 1.00 0.49 H new ATOM 0 HB VAL A 152 11.192 2.256 1.173 1.00 0.60 H new ATOM 0 HG11 VAL A 152 10.328 3.749 2.956 1.00 1.15 H new ATOM 0 HG12 VAL A 152 9.424 2.219 2.859 1.00 1.15 H new ATOM 0 HG13 VAL A 152 10.623 2.464 4.151 1.00 1.15 H new ATOM 0 HG21 VAL A 152 12.656 3.875 2.293 1.00 0.91 H new ATOM 0 HG22 VAL A 152 13.131 2.620 3.463 1.00 0.91 H new ATOM 0 HG23 VAL A 152 13.531 2.428 1.739 1.00 0.91 H new ATOM 2389 N GLU A 153 13.451 -0.142 3.796 1.00 0.59 N ATOM 2390 CA GLU A 153 14.759 -0.742 4.046 1.00 0.69 C ATOM 2391 C GLU A 153 14.872 -2.069 3.298 1.00 0.70 C ATOM 2392 O GLU A 153 15.954 -2.472 2.875 1.00 0.80 O ATOM 2393 CB GLU A 153 14.981 -0.992 5.539 1.00 0.76 C ATOM 2394 CG GLU A 153 15.055 0.275 6.365 1.00 0.80 C ATOM 2395 CD GLU A 153 15.286 0.013 7.840 1.00 1.31 C ATOM 2396 OE1 GLU A 153 16.151 -0.829 8.170 1.00 1.58 O ATOM 2397 OE2 GLU A 153 14.615 0.648 8.677 1.00 1.67 O ATOM 0 H GLU A 153 12.916 0.072 4.637 1.00 0.59 H new ATOM 0 HA GLU A 153 15.518 -0.044 3.692 1.00 0.69 H new ATOM 0 HB2 GLU A 153 14.171 -1.615 5.918 1.00 0.76 H new ATOM 0 HB3 GLU A 153 15.905 -1.555 5.670 1.00 0.76 H new ATOM 0 HG2 GLU A 153 15.860 0.903 5.984 1.00 0.80 H new ATOM 0 HG3 GLU A 153 14.128 0.835 6.243 1.00 0.80 H new ATOM 2404 N LEU A 154 13.730 -2.735 3.141 1.00 0.67 N ATOM 2405 CA LEU A 154 13.675 -4.048 2.514 1.00 0.72 C ATOM 2406 C LEU A 154 13.181 -3.945 1.068 1.00 0.74 C ATOM 2407 O LEU A 154 13.802 -4.468 0.146 1.00 0.83 O ATOM 2408 CB LEU A 154 12.723 -4.964 3.298 1.00 0.72 C ATOM 2409 CG LEU A 154 12.516 -4.592 4.770 1.00 0.83 C ATOM 2410 CD1 LEU A 154 11.479 -5.487 5.421 1.00 1.30 C ATOM 2411 CD2 LEU A 154 13.825 -4.660 5.534 1.00 1.14 C ATOM 0 H LEU A 154 12.823 -2.380 3.444 1.00 0.67 H new ATOM 0 HA LEU A 154 14.683 -4.463 2.518 1.00 0.72 H new ATOM 0 HB2 LEU A 154 11.753 -4.962 2.801 1.00 0.72 H new ATOM 0 HB3 LEU A 154 13.105 -5.984 3.249 1.00 0.72 H new ATOM 0 HG LEU A 154 12.149 -3.566 4.803 1.00 0.83 H new ATOM 0 HD11 LEU A 154 11.354 -5.199 6.465 1.00 1.30 H new ATOM 0 HD12 LEU A 154 10.528 -5.382 4.899 1.00 1.30 H new ATOM 0 HD13 LEU A 154 11.809 -6.525 5.368 1.00 1.30 H new ATOM 0 HD21 LEU A 154 13.652 -4.392 6.576 1.00 1.14 H new ATOM 0 HD22 LEU A 154 14.225 -5.673 5.481 1.00 1.14 H new ATOM 0 HD23 LEU A 154 14.540 -3.964 5.094 1.00 1.14 H new ATOM 2423 N TYR A 155 12.058 -3.256 0.888 1.00 0.69 N ATOM 2424 CA TYR A 155 11.345 -3.243 -0.388 1.00 0.78 C ATOM 2425 C TYR A 155 11.222 -1.836 -0.947 1.00 0.77 C ATOM 2426 O TYR A 155 10.301 -1.541 -1.710 1.00 1.15 O ATOM 2427 CB TYR A 155 9.944 -3.816 -0.204 1.00 0.86 C ATOM 2428 CG TYR A 155 9.918 -5.272 0.194 1.00 1.40 C ATOM 2429 CD1 TYR A 155 10.051 -6.273 -0.757 1.00 1.83 C ATOM 2430 CD2 TYR A 155 9.766 -5.646 1.524 1.00 2.24 C ATOM 2431 CE1 TYR A 155 10.032 -7.605 -0.397 1.00 2.65 C ATOM 2432 CE2 TYR A 155 9.749 -6.977 1.893 1.00 3.16 C ATOM 2433 CZ TYR A 155 9.883 -7.952 0.928 1.00 3.24 C ATOM 2434 OH TYR A 155 9.874 -9.281 1.288 1.00 4.24 O ATOM 0 H TYR A 155 11.618 -2.694 1.617 1.00 0.69 H new ATOM 0 HA TYR A 155 11.919 -3.850 -1.089 1.00 0.78 H new ATOM 0 HB2 TYR A 155 9.423 -3.234 0.556 1.00 0.86 H new ATOM 0 HB3 TYR A 155 9.389 -3.695 -1.134 1.00 0.86 H new ATOM 0 HD1 TYR A 155 10.171 -6.005 -1.796 1.00 1.83 H new ATOM 0 HD2 TYR A 155 9.659 -4.883 2.281 1.00 2.24 H new ATOM 0 HE1 TYR A 155 10.133 -8.372 -1.150 1.00 2.65 H new ATOM 0 HE2 TYR A 155 9.631 -7.252 2.931 1.00 3.16 H new ATOM 0 HH TYR A 155 9.761 -9.356 2.259 1.00 4.24 H new ATOM 2444 N GLY A 156 12.149 -0.980 -0.570 1.00 0.66 N ATOM 2445 CA GLY A 156 12.101 0.409 -0.978 1.00 0.64 C ATOM 2446 C GLY A 156 12.144 0.603 -2.472 1.00 0.78 C ATOM 2447 O GLY A 156 12.506 -0.299 -3.234 1.00 1.10 O ATOM 0 H GLY A 156 12.946 -1.222 0.019 1.00 0.66 H new ATOM 0 HA2 GLY A 156 11.190 0.862 -0.588 1.00 0.64 H new ATOM 0 HA3 GLY A 156 12.939 0.940 -0.527 1.00 0.64 H new ATOM 2451 N ASN A 157 11.775 1.800 -2.862 1.00 0.70 N ATOM 2452 CA ASN A 157 11.658 2.204 -4.247 1.00 0.80 C ATOM 2453 C ASN A 157 12.935 1.928 -5.039 1.00 1.14 C ATOM 2454 O ASN A 157 14.029 2.334 -4.641 1.00 1.29 O ATOM 2455 CB ASN A 157 11.309 3.680 -4.255 1.00 0.70 C ATOM 2456 CG ASN A 157 11.179 4.268 -5.641 1.00 0.77 C ATOM 2457 OD1 ASN A 157 10.024 4.089 -6.253 1.00 0.88 O flip ATOM 2458 ND2 ASN A 157 12.116 4.864 -6.160 1.00 0.76 N flip ATOM 0 H ASN A 157 11.540 2.544 -2.205 1.00 0.70 H new ATOM 0 HA ASN A 157 10.879 1.621 -4.739 1.00 0.80 H new ATOM 0 HB2 ASN A 157 10.371 3.825 -3.719 1.00 0.70 H new ATOM 0 HB3 ASN A 157 12.076 4.228 -3.708 1.00 0.70 H new ATOM 0 HD21 ASN A 157 12.992 4.980 -5.650 1.00 0.76 H new ATOM 0 HD22 ASN A 157 12.020 5.244 -7.102 1.00 0.76 H new ATOM 2969 N GLY B1005 -12.007 -13.516 3.269 1.00 1.02 N ATOM 2970 CA GLY B1005 -11.559 -13.984 4.573 1.00 1.07 C ATOM 2971 C GLY B1005 -10.675 -15.239 4.460 1.00 1.05 C ATOM 2972 O GLY B1005 -10.256 -15.815 5.466 1.00 1.20 O ATOM 0 HA2 GLY B1005 -11.001 -13.191 5.071 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -12.425 -14.205 5.197 1.00 1.07 H new ATOM 2976 N ARG B1006 -10.395 -15.643 3.215 1.00 1.08 N ATOM 2977 CA ARG B1006 -9.629 -16.841 2.892 1.00 1.08 C ATOM 2978 C ARG B1006 -8.573 -16.528 1.839 1.00 1.04 C ATOM 2979 O ARG B1006 -7.377 -16.668 2.074 1.00 1.10 O ATOM 2980 CB ARG B1006 -10.536 -17.938 2.313 1.00 1.14 C ATOM 2981 CG ARG B1006 -11.351 -18.705 3.332 1.00 1.24 C ATOM 2982 CD ARG B1006 -12.421 -17.840 3.961 1.00 1.55 C ATOM 2983 NE ARG B1006 -13.534 -18.612 4.505 1.00 1.88 N ATOM 2984 CZ ARG B1006 -14.780 -18.147 4.602 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -15.074 -16.921 4.183 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -15.732 -18.913 5.113 1.00 2.87 N ATOM 0 H ARG B1006 -10.704 -15.131 2.389 1.00 1.08 H new ATOM 0 HA ARG B1006 -9.167 -17.183 3.818 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -11.218 -17.482 1.595 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -9.917 -18.645 1.760 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -11.815 -19.566 2.852 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -10.691 -19.090 4.110 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -11.976 -17.244 4.758 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -12.801 -17.142 3.215 1.00 1.55 H new ATOM 0 HE ARG B1006 -13.348 -19.561 4.829 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -14.345 -16.330 3.784 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -16.029 -16.571 4.260 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -15.511 -19.857 5.431 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -16.686 -18.559 5.188 1.00 2.87 H new ATOM 3000 N ALA B1007 -9.049 -16.095 0.670 1.00 1.02 N ATOM 3001 CA ALA B1007 -8.212 -15.963 -0.519 1.00 1.05 C ATOM 3002 C ALA B1007 -7.215 -14.823 -0.407 1.00 1.02 C ATOM 3003 O ALA B1007 -6.035 -15.010 -0.666 1.00 1.31 O ATOM 3004 CB ALA B1007 -9.078 -15.768 -1.752 1.00 1.10 C ATOM 0 H ALA B1007 -10.022 -15.827 0.523 1.00 1.02 H new ATOM 0 HA ALA B1007 -7.641 -16.887 -0.609 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -8.442 -15.671 -2.632 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -9.737 -16.628 -1.874 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -9.678 -14.865 -1.636 1.00 1.10 H new ATOM 3010 N LEU B1008 -7.691 -13.651 -0.023 1.00 0.84 N ATOM 3011 CA LEU B1008 -6.844 -12.468 0.047 1.00 0.83 C ATOM 3012 C LEU B1008 -5.809 -12.662 1.143 1.00 0.78 C ATOM 3013 O LEU B1008 -4.642 -12.296 0.997 1.00 0.79 O ATOM 3014 CB LEU B1008 -7.686 -11.212 0.320 1.00 0.90 C ATOM 3015 CG LEU B1008 -8.677 -10.808 -0.783 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -7.948 -10.661 -2.102 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -9.824 -11.802 -0.910 1.00 1.33 C ATOM 0 H LEU B1008 -8.662 -13.491 0.246 1.00 0.84 H new ATOM 0 HA LEU B1008 -6.340 -12.330 -0.910 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -8.245 -11.368 1.243 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -7.008 -10.376 0.495 1.00 0.90 H new ATOM 0 HG LEU B1008 -9.114 -9.849 -0.506 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -8.656 -10.375 -2.879 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -7.180 -9.893 -2.010 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -7.482 -11.610 -2.368 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -10.500 -11.478 -1.701 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -9.426 -12.787 -1.154 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -10.367 -11.853 0.034 1.00 1.33 H new ATOM 3029 N ALA B1009 -6.269 -13.252 2.234 1.00 0.78 N ATOM 3030 CA ALA B1009 -5.405 -13.693 3.318 1.00 0.78 C ATOM 3031 C ALA B1009 -4.281 -14.566 2.780 1.00 0.80 C ATOM 3032 O ALA B1009 -3.093 -14.277 2.941 1.00 0.76 O ATOM 3033 CB ALA B1009 -6.195 -14.504 4.321 1.00 0.88 C ATOM 0 H ALA B1009 -7.259 -13.440 2.394 1.00 0.78 H new ATOM 0 HA ALA B1009 -4.990 -12.806 3.797 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -5.536 -14.828 5.127 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -6.998 -13.892 4.732 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -6.621 -15.378 3.828 1.00 0.88 H new ATOM 3039 N ALA B1010 -4.701 -15.632 2.113 1.00 0.89 N ATOM 3040 CA ALA B1010 -3.818 -16.683 1.642 1.00 0.94 C ATOM 3041 C ALA B1010 -2.907 -16.210 0.507 1.00 0.92 C ATOM 3042 O ALA B1010 -1.738 -16.590 0.427 1.00 0.92 O ATOM 3043 CB ALA B1010 -4.665 -17.862 1.191 1.00 1.03 C ATOM 0 H ALA B1010 -5.682 -15.791 1.882 1.00 0.89 H new ATOM 0 HA ALA B1010 -3.163 -16.979 2.462 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -4.015 -18.661 0.834 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -5.259 -18.225 2.030 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -5.328 -17.546 0.386 1.00 1.03 H new ATOM 3049 N PHE B1011 -3.449 -15.384 -0.372 1.00 0.93 N ATOM 3050 CA PHE B1011 -2.699 -14.877 -1.514 1.00 0.93 C ATOM 3051 C PHE B1011 -1.701 -13.810 -1.084 1.00 0.85 C ATOM 3052 O PHE B1011 -0.684 -13.599 -1.746 1.00 0.89 O ATOM 3053 CB PHE B1011 -3.651 -14.310 -2.575 1.00 0.97 C ATOM 3054 CG PHE B1011 -4.297 -15.351 -3.454 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -4.550 -16.635 -2.991 1.00 1.50 C ATOM 3056 CD2 PHE B1011 -4.644 -15.041 -4.757 1.00 1.18 C ATOM 3057 CE1 PHE B1011 -5.129 -17.579 -3.802 1.00 1.67 C ATOM 3058 CE2 PHE B1011 -5.227 -15.987 -5.578 1.00 1.32 C ATOM 3059 CZ PHE B1011 -5.468 -17.260 -5.099 1.00 1.46 C ATOM 0 H PHE B1011 -4.410 -15.048 -0.318 1.00 0.93 H new ATOM 0 HA PHE B1011 -2.145 -15.711 -1.946 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -4.433 -13.738 -2.075 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -3.099 -13.612 -3.205 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -4.287 -16.895 -1.976 1.00 1.50 H new ATOM 0 HD2 PHE B1011 -4.457 -14.048 -5.137 1.00 1.18 H new ATOM 0 HE1 PHE B1011 -5.319 -18.572 -3.423 1.00 1.67 H new ATOM 0 HE2 PHE B1011 -5.494 -15.732 -6.593 1.00 1.32 H new ATOM 0 HZ PHE B1011 -5.921 -18.003 -5.739 1.00 1.46 H new ATOM 3069 N GLY B1012 -1.985 -13.162 0.038 1.00 0.78 N ATOM 3070 CA GLY B1012 -1.127 -12.099 0.529 1.00 0.72 C ATOM 3071 C GLY B1012 0.132 -12.615 1.188 1.00 0.73 C ATOM 3072 O GLY B1012 1.043 -11.843 1.496 1.00 0.78 O ATOM 0 H GLY B1012 -2.800 -13.355 0.621 1.00 0.78 H new ATOM 0 HA2 GLY B1012 -0.855 -11.446 -0.300 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -1.682 -11.492 1.244 1.00 0.72 H new ATOM 3076 N ASP B1013 0.180 -13.921 1.406 1.00 0.78 N ATOM 3077 CA ASP B1013 1.348 -14.564 2.001 1.00 0.86 C ATOM 3078 C ASP B1013 2.561 -14.475 1.075 1.00 0.93 C ATOM 3079 O ASP B1013 3.706 -14.530 1.524 1.00 1.06 O ATOM 3080 CB ASP B1013 1.035 -16.034 2.306 1.00 0.98 C ATOM 3081 CG ASP B1013 2.214 -16.775 2.904 1.00 1.18 C ATOM 3082 OD1 ASP B1013 2.407 -16.695 4.135 1.00 1.90 O ATOM 3083 OD2 ASP B1013 2.950 -17.451 2.149 1.00 1.48 O ATOM 0 H ASP B1013 -0.580 -14.562 1.179 1.00 0.78 H new ATOM 0 HA ASP B1013 1.587 -14.041 2.927 1.00 0.86 H new ATOM 0 HB2 ASP B1013 0.192 -16.086 2.995 1.00 0.98 H new ATOM 0 HB3 ASP B1013 0.726 -16.533 1.387 1.00 0.98 H new ATOM 3088 N CYS B1014 2.309 -14.315 -0.219 1.00 0.93 N ATOM 3089 CA CYS B1014 3.377 -14.322 -1.204 1.00 1.06 C ATOM 3090 C CYS B1014 3.861 -12.907 -1.493 1.00 1.08 C ATOM 3091 O CYS B1014 3.284 -12.199 -2.318 1.00 1.44 O ATOM 3092 CB CYS B1014 2.906 -14.992 -2.498 1.00 1.12 C ATOM 3093 SG CYS B1014 2.687 -16.802 -2.394 1.00 1.34 S ATOM 0 H CYS B1014 1.376 -14.179 -0.607 1.00 0.93 H new ATOM 0 HA CYS B1014 4.210 -14.893 -0.794 1.00 1.06 H new ATOM 0 HB2 CYS B1014 1.959 -14.543 -2.798 1.00 1.12 H new ATOM 0 HB3 CYS B1014 3.626 -14.773 -3.286 1.00 1.12 H new ATOM 0 HG CYS B1014 2.705 -17.311 -3.590 1.00 1.34 H new