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 48 GLN :FLIP amide:sc= -2.23! C(o=-2.9!,f=-2.6!) USER MOD Set 1.2: A 157 ASN :FLIP amide:sc= -0.419 F(o=-3.6,f=-2.6) USER MOD Set 2.1: A 5 ASN : amide:sc= -1.82 K(o=-1.5,f=-5.7!) USER MOD Set 2.2: A 135 ASN : amide:sc= 0.294 K(o=-1.5,f=-2.5) USER MOD Set 3.1: A 133 TYR OH : rot -15:sc= 0.0933 USER MOD Set 3.2: A 137 HIS : no HD1:sc= 0 X(o=0.093,f=0.0044) USER MOD Set 4.1: A 69 THR OG1 : rot -130:sc= 0.198 USER MOD Set 4.2: A 117 LYS NZ :NH3+ -174:sc= 1.39 (180deg=1) USER MOD Set 5.1: A 23 SER OG : rot -119:sc= 0.0515 USER MOD Set 5.2: A 25 SER OG : rot 180:sc= 0.0566 USER MOD Single : A 3 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.78) USER MOD Single : A 4 SER OG : rot 135:sc= -0.663! USER MOD Single : A 14 SER OG : rot 118:sc= 0.0906 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= 0.758 (180deg=0.0999) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.28 K(o=-0.28,f=-1.2!) USER MOD Single : A 20 LYS NZ :NH3+ -168:sc= -5.98! (180deg=-6.87!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.3) USER MOD Single : A 28 SER OG : rot 9:sc= -1.38! USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 119:sc= 0.0134 USER MOD Single : A 47 LYS NZ :NH3+ -139:sc= -0.23! (180deg=-2.36!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.112 F(o=-1.2,f=-0.11) USER MOD Single : A 73 HIS :FLIP no HE2:sc= 0.136 F(o=-0.59,f=0.14) USER MOD Single : A 75 THR OG1 : rot 180:sc= -4.32! 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= -0.0325 X(o=-0.032,f=0) USER MOD Single : A 82 SER OG : rot -104:sc= -0.203 USER MOD Single : A 85 GLN : amide:sc= 0.0292 K(o=0.029,f=-0.66) USER MOD Single : A 88 ASN : amide:sc= 0.69 K(o=0.69,f=0) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.357 F(o=-2.5,f=-0.36) USER MOD Single : A 105 SER OG : rot 68:sc= 0.714 USER MOD Single : A 111 CYS SG : rot 164:sc= -12.2! USER MOD Single : A 114 SER OG : rot 69:sc= 0.326 USER MOD Single : A 119 MET CE :methyl -149:sc= -4.6! (180deg=-11.1!) USER MOD Single : A 120 GLN :FLIP amide:sc= -4.42! C(o=-5.6!,f=-4.4!) USER MOD Single : A 124 SER OG : rot -85:sc= -2.15! USER MOD Single : A 130 MET CE :methyl -155:sc= -4.73! (180deg=-7.63!) USER MOD Single : A 132 THR OG1 : rot 81:sc= 1.26 USER MOD Single : A 143 GLN : amide:sc=-0.00288 K(o=-0.0029,f=-0.68) USER MOD Single : A 145 ASN : amide:sc= 0.929 K(o=0.93,f=-0.3) USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD Single : B1014 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 0.446 9.518 12.184 1.00 0.73 N ATOM 32 CA GLN A 3 -0.755 9.860 11.417 1.00 0.73 C ATOM 33 C GLN A 3 -0.478 9.870 9.907 1.00 0.61 C ATOM 34 O GLN A 3 -1.373 10.138 9.102 1.00 0.64 O ATOM 35 CB GLN A 3 -1.292 11.218 11.872 1.00 0.83 C ATOM 36 CG GLN A 3 -2.757 11.440 11.535 1.00 1.13 C ATOM 37 CD GLN A 3 -3.692 10.510 12.289 1.00 1.76 C ATOM 38 OE1 GLN A 3 -3.390 10.060 13.393 1.00 2.42 O ATOM 39 NE2 GLN A 3 -4.851 10.239 11.708 1.00 2.22 N ATOM 0 HA GLN A 3 -1.507 9.094 11.606 1.00 0.73 H new ATOM 0 HB2 GLN A 3 -1.159 11.309 12.950 1.00 0.83 H new ATOM 0 HB3 GLN A 3 -0.698 12.007 11.410 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -3.023 12.473 11.761 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -2.902 11.300 10.464 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -5.066 10.631 10.791 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -5.529 9.638 12.177 1.00 2.22 H new ATOM 48 N SER A 4 0.757 9.560 9.527 1.00 0.55 N ATOM 49 CA SER A 4 1.127 9.465 8.119 1.00 0.52 C ATOM 50 C SER A 4 0.490 8.230 7.478 1.00 0.45 C ATOM 51 O SER A 4 0.409 8.119 6.250 1.00 0.46 O ATOM 52 CB SER A 4 2.652 9.430 7.971 1.00 0.61 C ATOM 53 OG SER A 4 3.041 9.013 6.678 1.00 1.25 O ATOM 0 H SER A 4 1.521 9.370 10.176 1.00 0.55 H new ATOM 0 HA SER A 4 0.752 10.347 7.600 1.00 0.52 H new ATOM 0 HB2 SER A 4 3.060 10.420 8.172 1.00 0.61 H new ATOM 0 HB3 SER A 4 3.075 8.754 8.714 1.00 0.61 H new ATOM 0 HG SER A 4 3.752 9.600 6.345 1.00 1.25 H new ATOM 59 N ASN A 5 0.003 7.314 8.317 1.00 0.43 N ATOM 60 CA ASN A 5 -0.702 6.123 7.837 1.00 0.39 C ATOM 61 C ASN A 5 -1.897 6.501 6.971 1.00 0.35 C ATOM 62 O ASN A 5 -2.382 5.693 6.180 1.00 0.35 O ATOM 63 CB ASN A 5 -1.166 5.240 8.997 1.00 0.40 C ATOM 64 CG ASN A 5 -1.762 6.012 10.149 1.00 0.80 C ATOM 65 OD1 ASN A 5 -2.374 7.066 9.972 1.00 1.78 O ATOM 66 ND2 ASN A 5 -1.579 5.488 11.352 1.00 0.53 N ATOM 0 H ASN A 5 0.084 7.374 9.332 1.00 0.43 H new ATOM 0 HA ASN A 5 0.007 5.557 7.232 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -1.905 4.529 8.627 1.00 0.40 H new ATOM 0 HB3 ASN A 5 -0.319 4.659 9.361 1.00 0.40 H new ATOM 0 HD21 ASN A 5 -1.951 5.960 12.176 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -1.066 4.612 11.454 1.00 0.53 H new ATOM 73 N ARG A 6 -2.364 7.732 7.131 1.00 0.35 N ATOM 74 CA ARG A 6 -3.419 8.263 6.292 1.00 0.34 C ATOM 75 C ARG A 6 -2.991 8.253 4.832 1.00 0.31 C ATOM 76 O ARG A 6 -3.660 7.672 3.980 1.00 0.30 O ATOM 77 CB ARG A 6 -3.752 9.695 6.701 1.00 0.41 C ATOM 78 CG ARG A 6 -4.802 10.329 5.812 1.00 0.59 C ATOM 79 CD ARG A 6 -6.108 9.577 5.921 1.00 0.41 C ATOM 80 NE ARG A 6 -6.737 9.804 7.225 1.00 0.68 N ATOM 81 CZ ARG A 6 -8.051 9.916 7.420 1.00 0.69 C ATOM 82 NH1 ARG A 6 -8.894 9.740 6.416 1.00 1.40 N ATOM 83 NH2 ARG A 6 -8.522 10.200 8.627 1.00 0.93 N ATOM 0 H ARG A 6 -2.023 8.382 7.840 1.00 0.35 H new ATOM 0 HA ARG A 6 -4.300 7.634 6.417 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -4.104 9.701 7.733 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -2.844 10.298 6.670 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -4.950 11.370 6.098 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -4.460 10.328 4.777 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -6.783 9.896 5.127 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -5.931 8.511 5.779 1.00 0.41 H new ATOM 0 HE ARG A 6 -6.128 9.882 8.039 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -8.540 9.517 5.486 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -9.898 9.827 6.572 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -7.879 10.333 9.407 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -9.528 10.285 8.775 1.00 0.93 H new ATOM 97 N GLU A 7 -1.870 8.901 4.572 1.00 0.30 N ATOM 98 CA GLU A 7 -1.327 9.026 3.227 1.00 0.29 C ATOM 99 C GLU A 7 -1.103 7.671 2.608 1.00 0.25 C ATOM 100 O GLU A 7 -1.463 7.432 1.465 1.00 0.26 O ATOM 101 CB GLU A 7 0.007 9.744 3.268 1.00 0.31 C ATOM 102 CG GLU A 7 -0.069 11.152 3.791 1.00 0.40 C ATOM 103 CD GLU A 7 1.293 11.787 3.866 1.00 0.51 C ATOM 104 OE1 GLU A 7 1.750 12.333 2.848 1.00 0.68 O ATOM 105 OE2 GLU A 7 1.889 11.766 4.960 1.00 0.53 O ATOM 0 H GLU A 7 -1.307 9.358 5.289 1.00 0.30 H new ATOM 0 HA GLU A 7 -2.048 9.588 2.633 1.00 0.29 H new ATOM 0 HB2 GLU A 7 0.696 9.173 3.891 1.00 0.31 H new ATOM 0 HB3 GLU A 7 0.428 9.764 2.263 1.00 0.31 H new ATOM 0 HG2 GLU A 7 -0.714 11.747 3.144 1.00 0.40 H new ATOM 0 HG3 GLU A 7 -0.525 11.149 4.781 1.00 0.40 H new ATOM 112 N LEU A 8 -0.468 6.807 3.376 1.00 0.26 N ATOM 113 CA LEU A 8 -0.183 5.453 2.973 1.00 0.27 C ATOM 114 C LEU A 8 -1.422 4.761 2.415 1.00 0.28 C ATOM 115 O LEU A 8 -1.322 3.914 1.528 1.00 0.40 O ATOM 116 CB LEU A 8 0.369 4.722 4.187 1.00 0.34 C ATOM 117 CG LEU A 8 1.818 5.072 4.566 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.281 6.436 4.038 1.00 1.00 C ATOM 119 CD2 LEU A 8 1.997 5.016 6.071 1.00 1.16 C ATOM 0 H LEU A 8 -0.132 7.035 4.312 1.00 0.26 H new ATOM 0 HA LEU A 8 0.550 5.447 2.167 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.274 4.935 5.041 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.309 3.649 4.002 1.00 0.34 H new ATOM 0 HG LEU A 8 2.445 4.322 4.084 1.00 0.41 H new ATOM 0 HD11 LEU A 8 3.312 6.614 4.344 1.00 1.00 H new ATOM 0 HD12 LEU A 8 2.219 6.445 2.950 1.00 1.00 H new ATOM 0 HD13 LEU A 8 1.641 7.220 4.444 1.00 1.00 H new ATOM 0 HD21 LEU A 8 3.027 5.266 6.324 1.00 1.16 H new ATOM 0 HD22 LEU A 8 1.323 5.730 6.544 1.00 1.16 H new ATOM 0 HD23 LEU A 8 1.769 4.011 6.427 1.00 1.16 H new ATOM 131 N VAL A 9 -2.589 5.131 2.927 1.00 0.23 N ATOM 132 CA VAL A 9 -3.837 4.667 2.363 1.00 0.23 C ATOM 133 C VAL A 9 -4.197 5.504 1.141 1.00 0.23 C ATOM 134 O VAL A 9 -4.249 5.010 0.014 1.00 0.24 O ATOM 135 CB VAL A 9 -4.970 4.767 3.397 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.306 4.415 2.778 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.681 3.869 4.582 1.00 0.27 C ATOM 0 H VAL A 9 -2.691 5.750 3.731 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.714 3.624 2.072 1.00 0.23 H new ATOM 0 HB VAL A 9 -5.023 5.799 3.744 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -7.089 4.494 3.532 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.520 5.102 1.959 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.272 3.395 2.396 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.492 3.950 5.306 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.598 2.836 4.244 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.745 4.174 5.050 1.00 0.27 H new ATOM 147 N VAL A 10 -4.410 6.785 1.395 1.00 0.23 N ATOM 148 CA VAL A 10 -4.934 7.726 0.413 1.00 0.25 C ATOM 149 C VAL A 10 -4.126 7.752 -0.880 1.00 0.25 C ATOM 150 O VAL A 10 -4.697 7.717 -1.970 1.00 0.27 O ATOM 151 CB VAL A 10 -4.970 9.139 1.011 1.00 0.28 C ATOM 152 CG1 VAL A 10 -5.556 10.131 0.032 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.758 9.130 2.302 1.00 0.32 C ATOM 0 H VAL A 10 -4.221 7.209 2.303 1.00 0.23 H new ATOM 0 HA VAL A 10 -5.939 7.387 0.163 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.948 9.451 1.223 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -5.569 11.123 0.483 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -4.948 10.152 -0.873 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -6.574 9.834 -0.221 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -5.780 10.136 2.722 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.777 8.797 2.104 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -5.286 8.451 3.012 1.00 0.32 H new ATOM 163 N ASP A 11 -2.807 7.823 -0.756 1.00 0.26 N ATOM 164 CA ASP A 11 -1.930 7.909 -1.916 1.00 0.28 C ATOM 165 C ASP A 11 -2.165 6.743 -2.864 1.00 0.31 C ATOM 166 O ASP A 11 -2.172 6.917 -4.087 1.00 0.35 O ATOM 167 CB ASP A 11 -0.466 7.936 -1.482 1.00 0.32 C ATOM 168 CG ASP A 11 0.476 8.060 -2.658 1.00 0.39 C ATOM 169 OD1 ASP A 11 0.662 9.190 -3.156 1.00 0.59 O ATOM 170 OD2 ASP A 11 1.032 7.031 -3.092 1.00 0.49 O ATOM 0 H ASP A 11 -2.320 7.823 0.140 1.00 0.26 H new ATOM 0 HA ASP A 11 -2.162 8.836 -2.441 1.00 0.28 H new ATOM 0 HB2 ASP A 11 -0.306 8.772 -0.801 1.00 0.32 H new ATOM 0 HB3 ASP A 11 -0.236 7.025 -0.929 1.00 0.32 H new ATOM 175 N PHE A 12 -2.388 5.562 -2.300 1.00 0.32 N ATOM 176 CA PHE A 12 -2.621 4.383 -3.110 1.00 0.38 C ATOM 177 C PHE A 12 -3.996 4.455 -3.761 1.00 0.34 C ATOM 178 O PHE A 12 -4.142 4.127 -4.937 1.00 0.39 O ATOM 179 CB PHE A 12 -2.493 3.101 -2.286 1.00 0.46 C ATOM 180 CG PHE A 12 -2.283 1.882 -3.141 1.00 0.76 C ATOM 181 CD1 PHE A 12 -3.347 1.275 -3.790 1.00 0.98 C ATOM 182 CD2 PHE A 12 -1.013 1.357 -3.312 1.00 1.24 C ATOM 183 CE1 PHE A 12 -3.146 0.169 -4.592 1.00 1.38 C ATOM 184 CE2 PHE A 12 -0.808 0.249 -4.110 1.00 1.61 C ATOM 185 CZ PHE A 12 -1.875 -0.345 -4.752 1.00 1.61 C ATOM 0 H PHE A 12 -2.411 5.400 -1.293 1.00 0.32 H new ATOM 0 HA PHE A 12 -1.857 4.357 -3.887 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -1.659 3.201 -1.592 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -3.393 2.968 -1.685 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -4.344 1.671 -3.667 1.00 0.98 H new ATOM 0 HD2 PHE A 12 -0.173 1.820 -2.815 1.00 1.24 H new ATOM 0 HE1 PHE A 12 -3.983 -0.294 -5.094 1.00 1.38 H new ATOM 0 HE2 PHE A 12 0.187 -0.153 -4.232 1.00 1.61 H new ATOM 0 HZ PHE A 12 -1.716 -1.210 -5.378 1.00 1.61 H new ATOM 195 N LEU A 13 -5.008 4.892 -3.005 1.00 0.28 N ATOM 196 CA LEU A 13 -6.340 5.060 -3.576 1.00 0.28 C ATOM 197 C LEU A 13 -6.295 6.078 -4.712 1.00 0.30 C ATOM 198 O LEU A 13 -6.901 5.875 -5.764 1.00 0.34 O ATOM 199 CB LEU A 13 -7.368 5.487 -2.516 1.00 0.25 C ATOM 200 CG LEU A 13 -7.940 4.352 -1.653 1.00 0.26 C ATOM 201 CD1 LEU A 13 -7.004 3.977 -0.528 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.305 4.725 -1.102 1.00 0.27 C ATOM 0 H LEU A 13 -4.930 5.131 -2.016 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.659 4.094 -3.968 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -6.902 6.220 -1.858 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.195 5.989 -3.019 1.00 0.25 H new ATOM 0 HG LEU A 13 -8.050 3.481 -2.299 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.445 3.171 0.059 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.052 3.645 -0.942 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -6.839 4.844 0.112 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.689 3.905 -0.495 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -9.217 5.621 -0.488 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -9.991 4.917 -1.927 1.00 0.27 H new ATOM 214 N SER A 14 -5.542 7.153 -4.503 1.00 0.29 N ATOM 215 CA SER A 14 -5.376 8.195 -5.510 1.00 0.33 C ATOM 216 C SER A 14 -4.734 7.623 -6.769 1.00 0.37 C ATOM 217 O SER A 14 -5.207 7.857 -7.885 1.00 0.42 O ATOM 218 CB SER A 14 -4.521 9.337 -4.946 1.00 0.33 C ATOM 219 OG SER A 14 -4.471 10.438 -5.837 1.00 1.05 O ATOM 0 H SER A 14 -5.033 7.326 -3.636 1.00 0.29 H new ATOM 0 HA SER A 14 -6.358 8.587 -5.774 1.00 0.33 H new ATOM 0 HB2 SER A 14 -4.930 9.661 -3.989 1.00 0.33 H new ATOM 0 HB3 SER A 14 -3.510 8.976 -4.755 1.00 0.33 H new ATOM 0 HG SER A 14 -4.863 11.226 -5.406 1.00 1.05 H new ATOM 225 N TYR A 15 -3.668 6.863 -6.577 1.00 0.37 N ATOM 226 CA TYR A 15 -2.977 6.208 -7.677 1.00 0.45 C ATOM 227 C TYR A 15 -3.899 5.213 -8.379 1.00 0.43 C ATOM 228 O TYR A 15 -3.797 4.994 -9.587 1.00 0.55 O ATOM 229 CB TYR A 15 -1.727 5.498 -7.139 1.00 0.52 C ATOM 230 CG TYR A 15 -1.023 4.603 -8.137 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.262 5.135 -9.171 1.00 0.72 C ATOM 232 CD2 TYR A 15 -1.120 3.218 -8.041 1.00 0.89 C ATOM 233 CE1 TYR A 15 0.381 4.314 -10.078 1.00 0.89 C ATOM 234 CE2 TYR A 15 -0.480 2.393 -8.944 1.00 1.06 C ATOM 235 CZ TYR A 15 0.270 2.945 -9.961 1.00 1.03 C ATOM 236 OH TYR A 15 0.904 2.125 -10.865 1.00 1.22 O ATOM 0 H TYR A 15 -3.259 6.683 -5.660 1.00 0.37 H new ATOM 0 HA TYR A 15 -2.678 6.959 -8.409 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.022 6.251 -6.788 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.011 4.900 -6.273 1.00 0.52 H new ATOM 0 HD1 TYR A 15 -0.172 6.207 -9.267 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -1.706 2.781 -7.246 1.00 0.89 H new ATOM 0 HE1 TYR A 15 0.969 4.744 -10.876 1.00 0.89 H new ATOM 0 HE2 TYR A 15 -0.566 1.320 -8.854 1.00 1.06 H new ATOM 0 HH TYR A 15 0.724 1.188 -10.639 1.00 1.22 H new ATOM 246 N LYS A 16 -4.816 4.631 -7.619 1.00 0.33 N ATOM 247 CA LYS A 16 -5.659 3.585 -8.115 1.00 0.33 C ATOM 248 C LYS A 16 -6.842 4.125 -8.913 1.00 0.33 C ATOM 249 O LYS A 16 -7.273 3.493 -9.870 1.00 0.42 O ATOM 250 CB LYS A 16 -6.124 2.740 -6.943 1.00 0.34 C ATOM 251 CG LYS A 16 -6.482 1.329 -7.329 1.00 0.61 C ATOM 252 CD LYS A 16 -5.253 0.432 -7.514 1.00 0.57 C ATOM 253 CE LYS A 16 -4.339 0.914 -8.636 1.00 1.18 C ATOM 254 NZ LYS A 16 -3.327 -0.102 -9.020 1.00 1.41 N ATOM 0 H LYS A 16 -4.986 4.880 -6.644 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.085 2.971 -8.808 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -5.338 2.714 -6.188 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -6.991 3.215 -6.484 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -7.127 0.900 -6.562 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -7.056 1.346 -8.255 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -4.690 0.397 -6.581 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -5.579 -0.586 -7.728 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -4.942 1.169 -9.507 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -3.832 1.826 -8.321 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -2.833 0.208 -9.881 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -2.639 -0.216 -8.248 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -3.799 -1.011 -9.201 1.00 1.41 H new ATOM 268 N LEU A 17 -7.370 5.283 -8.536 1.00 0.33 N ATOM 269 CA LEU A 17 -8.427 5.912 -9.331 1.00 0.32 C ATOM 270 C LEU A 17 -7.904 6.248 -10.721 1.00 0.35 C ATOM 271 O LEU A 17 -8.653 6.270 -11.701 1.00 0.36 O ATOM 272 CB LEU A 17 -8.967 7.187 -8.675 1.00 0.35 C ATOM 273 CG LEU A 17 -10.059 6.992 -7.619 1.00 0.53 C ATOM 274 CD1 LEU A 17 -10.596 5.570 -7.622 1.00 1.35 C ATOM 275 CD2 LEU A 17 -9.537 7.376 -6.252 1.00 1.15 C ATOM 0 H LEU A 17 -7.093 5.801 -7.702 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.246 5.196 -9.398 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -8.133 7.714 -8.212 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -9.359 7.836 -9.458 1.00 0.35 H new ATOM 0 HG LEU A 17 -10.893 7.648 -7.870 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -11.369 5.471 -6.859 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -11.020 5.343 -8.600 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -9.785 4.874 -7.409 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -10.322 7.233 -5.509 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -8.681 6.750 -6.000 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -9.231 8.422 -6.260 1.00 1.15 H new ATOM 287 N SER A 18 -6.609 6.475 -10.803 1.00 0.41 N ATOM 288 CA SER A 18 -5.979 6.874 -12.046 1.00 0.48 C ATOM 289 C SER A 18 -5.930 5.716 -13.050 1.00 0.51 C ATOM 290 O SER A 18 -5.740 5.938 -14.245 1.00 0.58 O ATOM 291 CB SER A 18 -4.569 7.394 -11.757 1.00 0.57 C ATOM 292 OG SER A 18 -4.078 8.183 -12.826 1.00 0.94 O ATOM 0 H SER A 18 -5.966 6.389 -10.016 1.00 0.41 H new ATOM 0 HA SER A 18 -6.575 7.668 -12.496 1.00 0.48 H new ATOM 0 HB2 SER A 18 -4.579 7.985 -10.841 1.00 0.57 H new ATOM 0 HB3 SER A 18 -3.898 6.553 -11.586 1.00 0.57 H new ATOM 0 HG SER A 18 -3.177 8.501 -12.610 1.00 0.94 H new ATOM 298 N GLN A 19 -6.132 4.480 -12.583 1.00 0.52 N ATOM 299 CA GLN A 19 -6.014 3.326 -13.469 1.00 0.57 C ATOM 300 C GLN A 19 -7.259 3.149 -14.322 1.00 0.51 C ATOM 301 O GLN A 19 -7.270 2.388 -15.288 1.00 0.59 O ATOM 302 CB GLN A 19 -5.720 2.044 -12.689 1.00 0.68 C ATOM 303 CG GLN A 19 -6.908 1.480 -11.960 1.00 0.84 C ATOM 304 CD GLN A 19 -6.671 0.074 -11.446 1.00 0.97 C ATOM 305 OE1 GLN A 19 -5.897 -0.692 -12.018 1.00 1.37 O ATOM 306 NE2 GLN A 19 -7.339 -0.276 -10.362 1.00 1.19 N ATOM 0 H GLN A 19 -6.373 4.259 -11.617 1.00 0.52 H new ATOM 0 HA GLN A 19 -5.171 3.522 -14.131 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -5.340 1.291 -13.380 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -4.927 2.244 -11.968 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -7.156 2.131 -11.122 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -7.770 1.477 -12.627 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -7.972 0.388 -9.916 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -7.222 -1.211 -9.970 1.00 1.19 H new ATOM 315 N LYS A 20 -8.299 3.859 -13.956 1.00 0.45 N ATOM 316 CA LYS A 20 -9.561 3.806 -14.683 1.00 0.49 C ATOM 317 C LYS A 20 -9.844 5.153 -15.293 1.00 0.48 C ATOM 318 O LYS A 20 -10.625 5.296 -16.229 1.00 0.53 O ATOM 319 CB LYS A 20 -10.690 3.425 -13.761 1.00 0.57 C ATOM 320 CG LYS A 20 -10.241 2.741 -12.493 1.00 0.49 C ATOM 321 CD LYS A 20 -10.067 3.745 -11.412 1.00 1.20 C ATOM 322 CE LYS A 20 -11.308 4.608 -11.335 1.00 1.75 C ATOM 323 NZ LYS A 20 -12.560 3.813 -11.192 1.00 2.20 N ATOM 0 H LYS A 20 -8.303 4.488 -13.153 1.00 0.45 H new ATOM 0 HA LYS A 20 -9.482 3.053 -15.467 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -11.250 4.322 -13.499 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -11.375 2.766 -14.295 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -10.976 1.994 -12.193 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -9.303 2.214 -12.666 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -9.896 3.245 -10.458 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -9.191 4.363 -11.610 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -11.218 5.290 -10.489 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -11.374 5.221 -12.234 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -13.383 4.430 -11.348 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -12.566 3.045 -11.893 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -12.607 3.408 -10.235 1.00 2.20 H new ATOM 337 N GLY A 21 -9.186 6.132 -14.732 1.00 0.45 N ATOM 338 CA GLY A 21 -9.251 7.473 -15.254 1.00 0.49 C ATOM 339 C GLY A 21 -10.124 8.384 -14.427 1.00 0.47 C ATOM 340 O GLY A 21 -10.729 9.323 -14.942 1.00 0.53 O ATOM 0 H GLY A 21 -8.595 6.026 -13.908 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -8.244 7.888 -15.302 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -9.632 7.442 -16.275 1.00 0.49 H new ATOM 344 N TYR A 22 -10.205 8.093 -13.142 1.00 0.40 N ATOM 345 CA TYR A 22 -10.826 9.016 -12.197 1.00 0.37 C ATOM 346 C TYR A 22 -9.797 9.583 -11.230 1.00 0.36 C ATOM 347 O TYR A 22 -8.664 9.111 -11.171 1.00 0.38 O ATOM 348 CB TYR A 22 -11.960 8.346 -11.426 1.00 0.34 C ATOM 349 CG TYR A 22 -13.245 8.286 -12.219 1.00 0.38 C ATOM 350 CD1 TYR A 22 -14.118 9.365 -12.230 1.00 0.50 C ATOM 351 CD2 TYR A 22 -13.581 7.166 -12.965 1.00 0.50 C ATOM 352 CE1 TYR A 22 -15.289 9.331 -12.963 1.00 0.62 C ATOM 353 CE2 TYR A 22 -14.753 7.123 -13.700 1.00 0.60 C ATOM 354 CZ TYR A 22 -15.603 8.207 -13.695 1.00 0.62 C ATOM 355 OH TYR A 22 -16.768 8.169 -14.427 1.00 0.76 O ATOM 0 H TYR A 22 -9.852 7.231 -12.726 1.00 0.40 H new ATOM 0 HA TYR A 22 -11.248 9.837 -12.777 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.660 7.335 -11.151 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.135 8.890 -10.498 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -13.878 10.247 -11.655 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -12.918 6.314 -12.972 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -15.955 10.181 -12.962 1.00 0.62 H new ATOM 0 HE2 TYR A 22 -15.000 6.243 -14.275 1.00 0.60 H new ATOM 0 HH TYR A 22 -16.838 7.306 -14.886 1.00 0.76 H new ATOM 365 N SER A 23 -10.191 10.603 -10.485 1.00 0.37 N ATOM 366 CA SER A 23 -9.296 11.235 -9.532 1.00 0.39 C ATOM 367 C SER A 23 -9.733 10.942 -8.108 1.00 0.35 C ATOM 368 O SER A 23 -10.916 10.721 -7.842 1.00 0.34 O ATOM 369 CB SER A 23 -9.281 12.746 -9.746 1.00 0.45 C ATOM 370 OG SER A 23 -8.139 13.344 -9.152 1.00 0.52 O ATOM 0 H SER A 23 -11.125 11.010 -10.523 1.00 0.37 H new ATOM 0 HA SER A 23 -8.296 10.831 -9.690 1.00 0.39 H new ATOM 0 HB2 SER A 23 -9.293 12.963 -10.814 1.00 0.45 H new ATOM 0 HB3 SER A 23 -10.185 13.184 -9.322 1.00 0.45 H new ATOM 0 HG SER A 23 -8.424 13.990 -8.472 1.00 0.52 H new ATOM 376 N TRP A 24 -8.777 10.944 -7.198 1.00 0.37 N ATOM 377 CA TRP A 24 -9.076 10.826 -5.785 1.00 0.36 C ATOM 378 C TRP A 24 -9.634 12.137 -5.253 1.00 0.35 C ATOM 379 O TRP A 24 -10.654 12.150 -4.569 1.00 0.34 O ATOM 380 CB TRP A 24 -7.819 10.415 -5.009 1.00 0.45 C ATOM 381 CG TRP A 24 -7.710 11.028 -3.646 1.00 0.43 C ATOM 382 CD1 TRP A 24 -8.371 10.643 -2.517 1.00 0.96 C ATOM 383 CD2 TRP A 24 -6.885 12.141 -3.271 1.00 1.27 C ATOM 384 NE1 TRP A 24 -8.023 11.459 -1.471 1.00 0.61 N ATOM 385 CE2 TRP A 24 -7.109 12.382 -1.907 1.00 1.10 C ATOM 386 CE3 TRP A 24 -5.983 12.957 -3.960 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -6.465 13.404 -1.214 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -5.342 13.972 -3.272 1.00 3.36 C ATOM 389 CH2 TRP A 24 -5.586 14.187 -1.911 1.00 3.13 C ATOM 0 H TRP A 24 -7.784 11.026 -7.414 1.00 0.37 H new ATOM 0 HA TRP A 24 -9.831 10.052 -5.648 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -7.806 9.330 -4.909 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -6.940 10.692 -5.591 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -9.065 9.818 -2.456 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -8.386 11.390 -0.520 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -5.790 12.798 -5.011 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -6.653 13.572 -0.164 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -4.642 14.608 -3.794 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -5.070 14.987 -1.401 1.00 3.13 H new ATOM 400 N SER A 25 -8.979 13.240 -5.598 1.00 0.39 N ATOM 401 CA SER A 25 -9.324 14.538 -5.042 1.00 0.44 C ATOM 402 C SER A 25 -10.715 14.984 -5.484 1.00 0.43 C ATOM 403 O SER A 25 -11.368 15.772 -4.799 1.00 0.49 O ATOM 404 CB SER A 25 -8.277 15.575 -5.443 1.00 0.53 C ATOM 405 OG SER A 25 -8.002 15.509 -6.832 1.00 1.37 O ATOM 0 H SER A 25 -8.205 13.258 -6.262 1.00 0.39 H new ATOM 0 HA SER A 25 -9.337 14.447 -3.956 1.00 0.44 H new ATOM 0 HB2 SER A 25 -8.632 16.573 -5.186 1.00 0.53 H new ATOM 0 HB3 SER A 25 -7.360 15.408 -4.879 1.00 0.53 H new ATOM 0 HG SER A 25 -7.330 16.183 -7.065 1.00 1.37 H new ATOM 411 N GLN A 26 -11.165 14.479 -6.626 1.00 0.40 N ATOM 412 CA GLN A 26 -12.507 14.771 -7.111 1.00 0.42 C ATOM 413 C GLN A 26 -13.567 14.227 -6.154 1.00 0.38 C ATOM 414 O GLN A 26 -14.652 14.791 -6.026 1.00 0.41 O ATOM 415 CB GLN A 26 -12.710 14.173 -8.506 1.00 0.47 C ATOM 416 CG GLN A 26 -11.928 14.878 -9.596 1.00 0.59 C ATOM 417 CD GLN A 26 -12.090 14.211 -10.949 1.00 0.73 C ATOM 418 OE1 GLN A 26 -12.315 13.002 -11.038 1.00 1.11 O ATOM 419 NE2 GLN A 26 -11.964 14.987 -12.012 1.00 1.10 N ATOM 0 H GLN A 26 -10.621 13.866 -7.233 1.00 0.40 H new ATOM 0 HA GLN A 26 -12.616 15.854 -7.166 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -12.420 13.122 -8.486 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -13.771 14.206 -8.754 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -12.258 15.915 -9.663 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -10.872 14.897 -9.327 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -11.778 15.983 -11.897 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -12.053 14.589 -12.947 1.00 1.10 H new ATOM 428 N PHE A 27 -13.235 13.139 -5.476 1.00 0.35 N ATOM 429 CA PHE A 27 -14.191 12.435 -4.636 1.00 0.38 C ATOM 430 C PHE A 27 -13.714 12.345 -3.187 1.00 0.43 C ATOM 431 O PHE A 27 -14.209 11.526 -2.409 1.00 0.67 O ATOM 432 CB PHE A 27 -14.397 11.038 -5.213 1.00 0.43 C ATOM 433 CG PHE A 27 -14.843 11.059 -6.648 1.00 0.67 C ATOM 434 CD1 PHE A 27 -16.011 11.707 -7.012 1.00 0.85 C ATOM 435 CD2 PHE A 27 -14.101 10.419 -7.630 1.00 0.94 C ATOM 436 CE1 PHE A 27 -16.431 11.721 -8.329 1.00 1.16 C ATOM 437 CE2 PHE A 27 -14.517 10.427 -8.948 1.00 1.20 C ATOM 438 CZ PHE A 27 -15.653 11.118 -9.306 1.00 1.28 C ATOM 0 H PHE A 27 -12.304 12.722 -5.492 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.131 12.987 -4.627 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -13.466 10.477 -5.135 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.139 10.509 -4.615 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -16.601 12.207 -6.258 1.00 0.85 H new ATOM 0 HD2 PHE A 27 -13.188 9.909 -7.362 1.00 0.94 H new ATOM 0 HE1 PHE A 27 -17.362 12.200 -8.596 1.00 1.16 H new ATOM 0 HE2 PHE A 27 -13.952 9.892 -9.696 1.00 1.20 H new ATOM 0 HZ PHE A 27 -15.938 11.190 -10.345 1.00 1.28 H new ATOM 448 N SER A 28 -12.767 13.191 -2.815 1.00 0.39 N ATOM 449 CA SER A 28 -12.124 13.068 -1.520 1.00 0.42 C ATOM 450 C SER A 28 -12.657 14.051 -0.493 1.00 0.58 C ATOM 451 O SER A 28 -13.578 14.824 -0.750 1.00 1.01 O ATOM 452 CB SER A 28 -10.614 13.242 -1.648 1.00 0.62 C ATOM 453 OG SER A 28 -10.273 14.563 -2.047 1.00 1.81 O ATOM 0 H SER A 28 -12.429 13.965 -3.388 1.00 0.39 H new ATOM 0 HA SER A 28 -12.356 12.064 -1.164 1.00 0.42 H new ATOM 0 HB2 SER A 28 -10.139 13.015 -0.694 1.00 0.62 H new ATOM 0 HB3 SER A 28 -10.225 12.529 -2.375 1.00 0.62 H new ATOM 0 HG SER A 28 -11.071 15.131 -2.014 1.00 1.81 H new ATOM 459 N ASP A 29 -12.058 13.965 0.682 1.00 0.63 N ATOM 460 CA ASP A 29 -12.365 14.817 1.819 1.00 0.84 C ATOM 461 C ASP A 29 -11.248 14.673 2.844 1.00 0.88 C ATOM 462 O ASP A 29 -10.954 15.589 3.609 1.00 1.03 O ATOM 463 CB ASP A 29 -13.710 14.406 2.420 1.00 1.04 C ATOM 464 CG ASP A 29 -13.949 14.971 3.809 1.00 1.69 C ATOM 465 OD1 ASP A 29 -14.482 16.093 3.918 1.00 1.85 O ATOM 466 OD2 ASP A 29 -13.616 14.287 4.803 1.00 2.31 O ATOM 0 H ASP A 29 -11.325 13.283 0.877 1.00 0.63 H new ATOM 0 HA ASP A 29 -12.437 15.859 1.507 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -14.511 14.737 1.759 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -13.762 13.318 2.465 1.00 1.04 H new ATOM 471 N VAL A 30 -10.596 13.515 2.778 1.00 0.80 N ATOM 472 CA VAL A 30 -9.562 13.102 3.724 1.00 0.82 C ATOM 473 C VAL A 30 -8.417 14.119 3.844 1.00 0.82 C ATOM 474 O VAL A 30 -8.311 14.810 4.850 1.00 0.92 O ATOM 475 CB VAL A 30 -9.018 11.712 3.306 1.00 0.81 C ATOM 476 CG1 VAL A 30 -10.069 10.648 3.558 1.00 0.89 C ATOM 477 CG2 VAL A 30 -8.631 11.690 1.831 1.00 0.76 C ATOM 0 H VAL A 30 -10.775 12.823 2.050 1.00 0.80 H new ATOM 0 HA VAL A 30 -10.019 13.045 4.712 1.00 0.82 H new ATOM 0 HB VAL A 30 -8.129 11.509 3.904 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -9.679 9.674 3.262 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -10.322 10.630 4.618 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -10.962 10.874 2.976 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -8.253 10.702 1.569 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -9.506 11.918 1.222 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -7.857 12.435 1.647 1.00 0.76 H new ATOM 487 N GLU A 31 -7.574 14.217 2.821 1.00 0.78 N ATOM 488 CA GLU A 31 -6.489 15.191 2.811 1.00 0.83 C ATOM 489 C GLU A 31 -6.989 16.475 2.182 1.00 0.88 C ATOM 490 O GLU A 31 -6.259 17.458 2.047 1.00 0.98 O ATOM 491 CB GLU A 31 -5.283 14.669 2.025 1.00 0.93 C ATOM 492 CG GLU A 31 -4.707 13.367 2.555 1.00 1.05 C ATOM 493 CD GLU A 31 -3.370 13.038 1.922 1.00 2.05 C ATOM 494 OE1 GLU A 31 -2.362 13.670 2.301 1.00 2.46 O ATOM 495 OE2 GLU A 31 -3.320 12.158 1.039 1.00 2.74 O ATOM 0 H GLU A 31 -7.622 13.632 1.987 1.00 0.78 H new ATOM 0 HA GLU A 31 -6.170 15.371 3.838 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -5.576 14.526 0.985 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -4.502 15.429 2.034 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -4.589 13.437 3.636 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -5.409 12.555 2.363 1.00 1.05 H new ATOM 502 N GLU A 32 -8.251 16.440 1.793 1.00 0.87 N ATOM 503 CA GLU A 32 -8.892 17.555 1.138 1.00 0.98 C ATOM 504 C GLU A 32 -9.212 18.650 2.144 1.00 1.09 C ATOM 505 O GLU A 32 -8.840 19.808 1.963 1.00 1.24 O ATOM 506 CB GLU A 32 -10.164 17.072 0.446 1.00 0.98 C ATOM 507 CG GLU A 32 -11.012 18.191 -0.123 1.00 1.12 C ATOM 508 CD GLU A 32 -12.193 17.673 -0.904 1.00 1.20 C ATOM 509 OE1 GLU A 32 -11.984 16.900 -1.861 1.00 1.45 O ATOM 510 OE2 GLU A 32 -13.335 18.026 -0.552 1.00 1.17 O ATOM 0 H GLU A 32 -8.859 15.632 1.925 1.00 0.87 H new ATOM 0 HA GLU A 32 -8.216 17.971 0.391 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -9.892 16.389 -0.359 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -10.761 16.503 1.159 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -11.366 18.825 0.690 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -10.397 18.817 -0.770 1.00 1.12 H new ATOM 630 N THR A 41 6.318 13.388 4.761 1.00 1.12 N ATOM 631 CA THR A 41 7.426 13.454 5.692 1.00 0.86 C ATOM 632 C THR A 41 8.274 12.174 5.598 1.00 0.75 C ATOM 633 O THR A 41 9.378 12.194 5.048 1.00 0.85 O ATOM 634 CB THR A 41 6.930 13.711 7.138 1.00 0.80 C ATOM 635 OG1 THR A 41 7.906 13.286 8.097 1.00 0.95 O ATOM 636 CG2 THR A 41 5.600 13.025 7.410 1.00 0.91 C ATOM 0 HA THR A 41 8.059 14.299 5.420 1.00 0.86 H new ATOM 0 HB THR A 41 6.781 14.786 7.238 1.00 0.80 H new ATOM 0 HG1 THR A 41 7.572 13.459 9.002 1.00 0.95 H new ATOM 0 HG21 THR A 41 5.288 13.230 8.434 1.00 0.91 H new ATOM 0 HG22 THR A 41 4.847 13.403 6.718 1.00 0.91 H new ATOM 0 HG23 THR A 41 5.711 11.949 7.273 1.00 0.91 H new ATOM 644 N GLU A 42 7.763 11.068 6.126 1.00 0.69 N ATOM 645 CA GLU A 42 8.354 9.758 5.929 1.00 0.66 C ATOM 646 C GLU A 42 7.686 9.062 4.749 1.00 0.54 C ATOM 647 O GLU A 42 8.305 8.284 4.017 1.00 0.56 O ATOM 648 CB GLU A 42 8.180 8.924 7.201 1.00 0.74 C ATOM 649 CG GLU A 42 6.729 8.616 7.574 1.00 0.65 C ATOM 650 CD GLU A 42 5.865 9.838 7.732 1.00 1.20 C ATOM 651 OE1 GLU A 42 5.786 10.366 8.855 1.00 1.17 O ATOM 652 OE2 GLU A 42 5.247 10.262 6.737 1.00 2.02 O ATOM 0 H GLU A 42 6.923 11.059 6.705 1.00 0.69 H new ATOM 0 HA GLU A 42 9.417 9.867 5.716 1.00 0.66 H new ATOM 0 HB2 GLU A 42 8.716 7.983 7.077 1.00 0.74 H new ATOM 0 HB3 GLU A 42 8.649 9.452 8.031 1.00 0.74 H new ATOM 0 HG2 GLU A 42 6.296 7.974 6.807 1.00 0.65 H new ATOM 0 HG3 GLU A 42 6.716 8.052 8.506 1.00 0.65 H new ATOM 659 N SER A 43 6.404 9.364 4.602 1.00 0.48 N ATOM 660 CA SER A 43 5.518 8.704 3.661 1.00 0.43 C ATOM 661 C SER A 43 5.999 8.766 2.233 1.00 0.43 C ATOM 662 O SER A 43 5.800 7.819 1.500 1.00 0.49 O ATOM 663 CB SER A 43 4.132 9.321 3.735 1.00 0.50 C ATOM 664 OG SER A 43 4.214 10.736 3.798 1.00 1.25 O ATOM 0 H SER A 43 5.943 10.092 5.148 1.00 0.48 H new ATOM 0 HA SER A 43 5.498 7.654 3.952 1.00 0.43 H new ATOM 0 HB2 SER A 43 3.550 9.024 2.863 1.00 0.50 H new ATOM 0 HB3 SER A 43 3.607 8.943 4.612 1.00 0.50 H new ATOM 0 HG SER A 43 3.761 11.125 3.021 1.00 1.25 H new ATOM 670 N GLU A 44 6.608 9.870 1.842 1.00 0.46 N ATOM 671 CA GLU A 44 6.989 10.084 0.447 1.00 0.52 C ATOM 672 C GLU A 44 7.671 8.852 -0.154 1.00 0.51 C ATOM 673 O GLU A 44 7.352 8.448 -1.263 1.00 0.58 O ATOM 674 CB GLU A 44 7.893 11.308 0.328 1.00 0.61 C ATOM 675 CG GLU A 44 8.377 11.582 -1.084 1.00 0.72 C ATOM 676 CD GLU A 44 9.521 12.570 -1.122 1.00 1.17 C ATOM 677 OE1 GLU A 44 9.279 13.771 -0.881 1.00 1.29 O ATOM 678 OE2 GLU A 44 10.664 12.155 -1.403 1.00 1.91 O ATOM 0 H GLU A 44 6.852 10.637 2.468 1.00 0.46 H new ATOM 0 HA GLU A 44 6.076 10.259 -0.122 1.00 0.52 H new ATOM 0 HB2 GLU A 44 7.354 12.182 0.692 1.00 0.61 H new ATOM 0 HB3 GLU A 44 8.758 11.173 0.978 1.00 0.61 H new ATOM 0 HG2 GLU A 44 8.694 10.646 -1.544 1.00 0.72 H new ATOM 0 HG3 GLU A 44 7.549 11.966 -1.680 1.00 0.72 H new ATOM 685 N ALA A 45 8.577 8.238 0.592 1.00 0.48 N ATOM 686 CA ALA A 45 9.221 7.008 0.142 1.00 0.48 C ATOM 687 C ALA A 45 8.345 5.802 0.456 1.00 0.41 C ATOM 688 O ALA A 45 8.276 4.856 -0.323 1.00 0.41 O ATOM 689 CB ALA A 45 10.591 6.862 0.784 1.00 0.52 C ATOM 0 H ALA A 45 8.883 8.567 1.507 1.00 0.48 H new ATOM 0 HA ALA A 45 9.354 7.060 -0.939 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.058 5.940 0.438 1.00 0.52 H new ATOM 0 HB2 ALA A 45 11.215 7.711 0.507 1.00 0.52 H new ATOM 0 HB3 ALA A 45 10.483 6.830 1.868 1.00 0.52 H new ATOM 695 N VAL A 46 7.677 5.857 1.602 1.00 0.37 N ATOM 696 CA VAL A 46 6.744 4.819 2.031 1.00 0.34 C ATOM 697 C VAL A 46 5.673 4.569 0.973 1.00 0.34 C ATOM 698 O VAL A 46 5.625 3.509 0.368 1.00 0.39 O ATOM 699 CB VAL A 46 6.059 5.251 3.333 1.00 0.49 C ATOM 700 CG1 VAL A 46 4.954 4.307 3.735 1.00 1.41 C ATOM 701 CG2 VAL A 46 7.047 5.416 4.467 1.00 1.13 C ATOM 0 H VAL A 46 7.767 6.627 2.265 1.00 0.37 H new ATOM 0 HA VAL A 46 7.309 3.900 2.184 1.00 0.34 H new ATOM 0 HB VAL A 46 5.612 6.224 3.130 1.00 0.49 H new ATOM 0 HG11 VAL A 46 4.499 4.654 4.663 1.00 1.41 H new ATOM 0 HG12 VAL A 46 4.199 4.275 2.950 1.00 1.41 H new ATOM 0 HG13 VAL A 46 5.365 3.308 3.884 1.00 1.41 H new ATOM 0 HG21 VAL A 46 6.518 5.723 5.369 1.00 1.13 H new ATOM 0 HG22 VAL A 46 7.554 4.468 4.648 1.00 1.13 H new ATOM 0 HG23 VAL A 46 7.782 6.176 4.202 1.00 1.13 H new ATOM 711 N LYS A 47 4.827 5.571 0.759 1.00 0.34 N ATOM 712 CA LYS A 47 3.711 5.478 -0.178 1.00 0.36 C ATOM 713 C LYS A 47 4.219 5.152 -1.576 1.00 0.39 C ATOM 714 O LYS A 47 3.606 4.380 -2.314 1.00 0.43 O ATOM 715 CB LYS A 47 2.935 6.796 -0.191 1.00 0.38 C ATOM 716 CG LYS A 47 3.808 7.999 -0.498 1.00 0.49 C ATOM 717 CD LYS A 47 3.019 9.282 -0.581 1.00 0.47 C ATOM 718 CE LYS A 47 2.353 9.621 0.732 1.00 0.47 C ATOM 719 NZ LYS A 47 1.578 10.888 0.636 1.00 0.67 N ATOM 0 H LYS A 47 4.895 6.473 1.231 1.00 0.34 H new ATOM 0 HA LYS A 47 3.046 4.677 0.143 1.00 0.36 H new ATOM 0 HB2 LYS A 47 2.138 6.734 -0.932 1.00 0.38 H new ATOM 0 HB3 LYS A 47 2.458 6.939 0.778 1.00 0.38 H new ATOM 0 HG2 LYS A 47 4.572 8.096 0.274 1.00 0.49 H new ATOM 0 HG3 LYS A 47 4.328 7.835 -1.442 1.00 0.49 H new ATOM 0 HD2 LYS A 47 3.681 10.097 -0.873 1.00 0.47 H new ATOM 0 HD3 LYS A 47 2.261 9.192 -1.360 1.00 0.47 H new ATOM 0 HE2 LYS A 47 1.689 8.808 1.026 1.00 0.47 H new ATOM 0 HE3 LYS A 47 3.109 9.713 1.512 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 1.719 11.448 1.501 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 1.906 11.434 -0.186 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 0.567 10.669 0.526 1.00 0.67 H new ATOM 733 N GLN A 48 5.357 5.737 -1.924 1.00 0.40 N ATOM 734 CA GLN A 48 6.002 5.446 -3.199 1.00 0.46 C ATOM 735 C GLN A 48 6.441 3.991 -3.280 1.00 0.45 C ATOM 736 O GLN A 48 6.544 3.440 -4.366 1.00 0.50 O ATOM 737 CB GLN A 48 7.203 6.354 -3.439 1.00 0.52 C ATOM 738 CG GLN A 48 6.848 7.685 -4.075 1.00 0.58 C ATOM 739 CD GLN A 48 6.152 7.545 -5.424 1.00 0.67 C ATOM 740 OE1 GLN A 48 6.440 6.471 -6.149 1.00 0.99 O flip ATOM 741 NE2 GLN A 48 5.349 8.392 -5.810 1.00 0.63 N flip ATOM 0 H GLN A 48 5.852 6.414 -1.344 1.00 0.40 H new ATOM 0 HA GLN A 48 5.261 5.634 -3.975 1.00 0.46 H new ATOM 0 HB2 GLN A 48 7.703 6.538 -2.488 1.00 0.52 H new ATOM 0 HB3 GLN A 48 7.917 5.835 -4.079 1.00 0.52 H new ATOM 0 HG2 GLN A 48 6.201 8.242 -3.397 1.00 0.58 H new ATOM 0 HG3 GLN A 48 7.757 8.272 -4.203 1.00 0.58 H new ATOM 0 HE21 GLN A 48 5.149 9.207 -5.230 1.00 0.63 H new ATOM 0 HE22 GLN A 48 4.883 8.280 -6.710 1.00 0.63 H new ATOM 750 N ALA A 49 6.696 3.376 -2.139 1.00 0.42 N ATOM 751 CA ALA A 49 7.080 1.972 -2.097 1.00 0.41 C ATOM 752 C ALA A 49 5.842 1.101 -2.101 1.00 0.39 C ATOM 753 O ALA A 49 5.832 0.005 -2.654 1.00 0.42 O ATOM 754 CB ALA A 49 7.916 1.676 -0.861 1.00 0.42 C ATOM 0 H ALA A 49 6.645 3.826 -1.225 1.00 0.42 H new ATOM 0 HA ALA A 49 7.681 1.753 -2.979 1.00 0.41 H new ATOM 0 HB1 ALA A 49 8.191 0.621 -0.852 1.00 0.42 H new ATOM 0 HB2 ALA A 49 8.819 2.286 -0.878 1.00 0.42 H new ATOM 0 HB3 ALA A 49 7.338 1.908 0.033 1.00 0.42 H new ATOM 760 N LEU A 50 4.788 1.624 -1.500 1.00 0.38 N ATOM 761 CA LEU A 50 3.544 0.890 -1.336 1.00 0.40 C ATOM 762 C LEU A 50 2.860 0.657 -2.678 1.00 0.41 C ATOM 763 O LEU A 50 2.053 -0.255 -2.814 1.00 0.43 O ATOM 764 CB LEU A 50 2.599 1.653 -0.403 1.00 0.45 C ATOM 765 CG LEU A 50 3.166 2.050 0.959 1.00 0.69 C ATOM 766 CD1 LEU A 50 2.047 2.348 1.938 1.00 1.33 C ATOM 767 CD2 LEU A 50 4.073 0.976 1.506 1.00 1.20 C ATOM 0 H LEU A 50 4.769 2.567 -1.112 1.00 0.38 H new ATOM 0 HA LEU A 50 3.783 -0.079 -0.898 1.00 0.40 H new ATOM 0 HB2 LEU A 50 2.271 2.558 -0.914 1.00 0.45 H new ATOM 0 HB3 LEU A 50 1.712 1.041 -0.239 1.00 0.45 H new ATOM 0 HG LEU A 50 3.758 2.955 0.823 1.00 0.69 H new ATOM 0 HD11 LEU A 50 2.472 2.629 2.902 1.00 1.33 H new ATOM 0 HD12 LEU A 50 1.439 3.168 1.557 1.00 1.33 H new ATOM 0 HD13 LEU A 50 1.425 1.461 2.060 1.00 1.33 H new ATOM 0 HD21 LEU A 50 4.461 1.287 2.476 1.00 1.20 H new ATOM 0 HD22 LEU A 50 3.511 0.049 1.620 1.00 1.20 H new ATOM 0 HD23 LEU A 50 4.903 0.815 0.818 1.00 1.20 H new ATOM 779 N ARG A 51 3.193 1.469 -3.676 1.00 0.44 N ATOM 780 CA ARG A 51 2.571 1.348 -4.984 1.00 0.50 C ATOM 781 C ARG A 51 3.375 0.386 -5.840 1.00 0.52 C ATOM 782 O ARG A 51 2.831 -0.377 -6.634 1.00 0.59 O ATOM 783 CB ARG A 51 2.484 2.718 -5.648 1.00 0.53 C ATOM 784 CG ARG A 51 3.794 3.480 -5.595 1.00 0.52 C ATOM 785 CD ARG A 51 3.698 4.818 -6.291 1.00 0.73 C ATOM 786 NE ARG A 51 2.707 5.697 -5.675 1.00 1.21 N ATOM 787 CZ ARG A 51 2.080 6.679 -6.321 1.00 1.63 C ATOM 788 NH1 ARG A 51 2.295 6.882 -7.615 1.00 1.96 N ATOM 789 NH2 ARG A 51 1.236 7.459 -5.667 1.00 2.17 N ATOM 0 H ARG A 51 3.887 2.213 -3.602 1.00 0.44 H new ATOM 0 HA ARG A 51 1.560 0.957 -4.872 1.00 0.50 H new ATOM 0 HB2 ARG A 51 2.183 2.594 -6.688 1.00 0.53 H new ATOM 0 HB3 ARG A 51 1.707 3.305 -5.159 1.00 0.53 H new ATOM 0 HG2 ARG A 51 4.083 3.632 -4.555 1.00 0.52 H new ATOM 0 HG3 ARG A 51 4.579 2.884 -6.061 1.00 0.52 H new ATOM 0 HD2 ARG A 51 4.673 5.305 -6.272 1.00 0.73 H new ATOM 0 HD3 ARG A 51 3.440 4.662 -7.338 1.00 0.73 H new ATOM 0 HE ARG A 51 2.482 5.550 -4.691 1.00 1.21 H new ATOM 0 HH11 ARG A 51 2.945 6.283 -8.124 1.00 1.96 H new ATOM 0 HH12 ARG A 51 1.810 7.637 -8.100 1.00 1.96 H new ATOM 0 HH21 ARG A 51 1.068 7.307 -4.672 1.00 2.17 H new ATOM 0 HH22 ARG A 51 0.753 8.212 -6.157 1.00 2.17 H new ATOM 803 N GLU A 52 4.682 0.430 -5.645 1.00 0.49 N ATOM 804 CA GLU A 52 5.604 -0.476 -6.304 1.00 0.54 C ATOM 805 C GLU A 52 5.385 -1.889 -5.781 1.00 0.53 C ATOM 806 O GLU A 52 5.297 -2.846 -6.550 1.00 0.58 O ATOM 807 CB GLU A 52 7.030 -0.020 -6.015 1.00 0.59 C ATOM 808 CG GLU A 52 7.248 1.460 -6.291 1.00 0.63 C ATOM 809 CD GLU A 52 7.545 1.754 -7.744 1.00 0.87 C ATOM 810 OE1 GLU A 52 8.706 1.574 -8.167 1.00 1.10 O ATOM 811 OE2 GLU A 52 6.623 2.185 -8.465 1.00 1.07 O ATOM 0 H GLU A 52 5.134 1.099 -5.022 1.00 0.49 H new ATOM 0 HA GLU A 52 5.434 -0.471 -7.381 1.00 0.54 H new ATOM 0 HB2 GLU A 52 7.268 -0.228 -4.972 1.00 0.59 H new ATOM 0 HB3 GLU A 52 7.722 -0.603 -6.622 1.00 0.59 H new ATOM 0 HG2 GLU A 52 6.360 2.015 -5.988 1.00 0.63 H new ATOM 0 HG3 GLU A 52 8.074 1.820 -5.677 1.00 0.63 H new ATOM 818 N ALA A 53 5.284 -1.999 -4.462 1.00 0.49 N ATOM 819 CA ALA A 53 4.991 -3.264 -3.812 1.00 0.48 C ATOM 820 C ALA A 53 3.543 -3.663 -4.060 1.00 0.49 C ATOM 821 O ALA A 53 3.222 -4.846 -4.166 1.00 0.53 O ATOM 822 CB ALA A 53 5.266 -3.162 -2.318 1.00 0.45 C ATOM 0 H ALA A 53 5.403 -1.217 -3.818 1.00 0.49 H new ATOM 0 HA ALA A 53 5.638 -4.033 -4.234 1.00 0.48 H new ATOM 0 HB1 ALA A 53 5.043 -4.116 -1.841 1.00 0.45 H new ATOM 0 HB2 ALA A 53 6.315 -2.913 -2.157 1.00 0.45 H new ATOM 0 HB3 ALA A 53 4.638 -2.384 -1.885 1.00 0.45 H new ATOM 828 N GLY A 54 2.673 -2.663 -4.151 1.00 0.49 N ATOM 829 CA GLY A 54 1.269 -2.911 -4.411 1.00 0.53 C ATOM 830 C GLY A 54 1.055 -3.551 -5.758 1.00 0.60 C ATOM 831 O GLY A 54 0.294 -4.507 -5.883 1.00 0.70 O ATOM 0 H GLY A 54 2.919 -1.678 -4.048 1.00 0.49 H new ATOM 0 HA2 GLY A 54 0.864 -3.558 -3.633 1.00 0.53 H new ATOM 0 HA3 GLY A 54 0.719 -1.971 -4.363 1.00 0.53 H new ATOM 835 N ASP A 55 1.756 -3.040 -6.761 1.00 0.61 N ATOM 836 CA ASP A 55 1.681 -3.580 -8.113 1.00 0.69 C ATOM 837 C ASP A 55 2.032 -5.061 -8.122 1.00 0.70 C ATOM 838 O ASP A 55 1.462 -5.840 -8.884 1.00 0.79 O ATOM 839 CB ASP A 55 2.629 -2.816 -9.034 1.00 0.73 C ATOM 840 CG ASP A 55 2.569 -3.315 -10.463 1.00 0.85 C ATOM 841 OD1 ASP A 55 1.624 -2.940 -11.190 1.00 1.04 O ATOM 842 OD2 ASP A 55 3.467 -4.084 -10.864 1.00 0.82 O ATOM 0 H ASP A 55 2.388 -2.246 -6.663 1.00 0.61 H new ATOM 0 HA ASP A 55 0.659 -3.464 -8.473 1.00 0.69 H new ATOM 0 HB2 ASP A 55 2.378 -1.756 -9.011 1.00 0.73 H new ATOM 0 HB3 ASP A 55 3.649 -2.910 -8.661 1.00 0.73 H new ATOM 847 N GLU A 56 2.962 -5.429 -7.248 1.00 0.66 N ATOM 848 CA GLU A 56 3.407 -6.813 -7.088 1.00 0.74 C ATOM 849 C GLU A 56 2.312 -7.693 -6.491 1.00 0.77 C ATOM 850 O GLU A 56 2.312 -8.915 -6.660 1.00 0.88 O ATOM 851 CB GLU A 56 4.644 -6.863 -6.197 1.00 0.79 C ATOM 852 CG GLU A 56 5.831 -6.121 -6.774 1.00 1.24 C ATOM 853 CD GLU A 56 6.378 -6.783 -8.016 1.00 1.52 C ATOM 854 OE1 GLU A 56 6.847 -7.936 -7.923 1.00 1.43 O ATOM 855 OE2 GLU A 56 6.343 -6.154 -9.092 1.00 2.29 O ATOM 0 H GLU A 56 3.433 -4.773 -6.625 1.00 0.66 H new ATOM 0 HA GLU A 56 3.648 -7.199 -8.079 1.00 0.74 H new ATOM 0 HB2 GLU A 56 4.399 -6.439 -5.223 1.00 0.79 H new ATOM 0 HB3 GLU A 56 4.921 -7.904 -6.031 1.00 0.79 H new ATOM 0 HG2 GLU A 56 5.536 -5.099 -7.011 1.00 1.24 H new ATOM 0 HG3 GLU A 56 6.618 -6.060 -6.022 1.00 1.24 H new ATOM 862 N PHE A 57 1.428 -7.083 -5.735 1.00 0.71 N ATOM 863 CA PHE A 57 0.289 -7.788 -5.171 1.00 0.75 C ATOM 864 C PHE A 57 -0.861 -7.884 -6.177 1.00 0.78 C ATOM 865 O PHE A 57 -1.518 -8.922 -6.291 1.00 0.91 O ATOM 866 CB PHE A 57 -0.188 -7.104 -3.882 1.00 0.76 C ATOM 867 CG PHE A 57 -1.404 -7.759 -3.281 1.00 1.09 C ATOM 868 CD1 PHE A 57 -1.358 -9.072 -2.846 1.00 1.37 C ATOM 869 CD2 PHE A 57 -2.592 -7.056 -3.147 1.00 1.71 C ATOM 870 CE1 PHE A 57 -2.472 -9.674 -2.289 1.00 1.79 C ATOM 871 CE2 PHE A 57 -3.707 -7.653 -2.591 1.00 2.29 C ATOM 872 CZ PHE A 57 -3.651 -8.976 -2.185 1.00 2.20 C ATOM 0 H PHE A 57 1.473 -6.093 -5.493 1.00 0.71 H new ATOM 0 HA PHE A 57 0.614 -8.801 -4.931 1.00 0.75 H new ATOM 0 HB2 PHE A 57 0.621 -7.114 -3.152 1.00 0.76 H new ATOM 0 HB3 PHE A 57 -0.413 -6.059 -4.094 1.00 0.76 H new ATOM 0 HD1 PHE A 57 -0.441 -9.634 -2.943 1.00 1.37 H new ATOM 0 HD2 PHE A 57 -2.646 -6.030 -3.481 1.00 1.71 H new ATOM 0 HE1 PHE A 57 -2.415 -10.693 -1.936 1.00 1.79 H new ATOM 0 HE2 PHE A 57 -4.621 -7.089 -2.473 1.00 2.29 H new ATOM 0 HZ PHE A 57 -4.532 -9.458 -1.788 1.00 2.20 H new ATOM 882 N GLU A 58 -1.070 -6.808 -6.928 1.00 0.73 N ATOM 883 CA GLU A 58 -2.290 -6.635 -7.713 1.00 0.82 C ATOM 884 C GLU A 58 -2.408 -7.631 -8.843 1.00 0.82 C ATOM 885 O GLU A 58 -3.413 -8.324 -8.957 1.00 0.89 O ATOM 886 CB GLU A 58 -2.355 -5.239 -8.301 1.00 0.86 C ATOM 887 CG GLU A 58 -2.340 -4.143 -7.268 1.00 0.91 C ATOM 888 CD GLU A 58 -2.590 -2.794 -7.894 1.00 0.93 C ATOM 889 OE1 GLU A 58 -3.690 -2.566 -8.438 1.00 1.30 O ATOM 890 OE2 GLU A 58 -1.692 -1.924 -7.802 1.00 1.24 O ATOM 0 H GLU A 58 -0.407 -6.038 -7.011 1.00 0.73 H new ATOM 0 HA GLU A 58 -3.116 -6.801 -7.021 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -1.511 -5.100 -8.977 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -3.261 -5.149 -8.900 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -3.101 -4.342 -6.513 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -1.377 -4.136 -6.757 1.00 0.91 H new ATOM 897 N LEU A 59 -1.375 -7.695 -9.663 1.00 0.81 N ATOM 898 CA LEU A 59 -1.389 -8.480 -10.891 1.00 0.87 C ATOM 899 C LEU A 59 -1.840 -9.912 -10.620 1.00 0.85 C ATOM 900 O LEU A 59 -2.521 -10.532 -11.437 1.00 0.96 O ATOM 901 CB LEU A 59 0.011 -8.493 -11.506 1.00 0.96 C ATOM 902 CG LEU A 59 1.045 -9.312 -10.730 1.00 1.06 C ATOM 903 CD1 LEU A 59 2.338 -9.416 -11.489 1.00 1.54 C ATOM 904 CD2 LEU A 59 1.324 -8.716 -9.378 1.00 1.46 C ATOM 0 H LEU A 59 -0.497 -7.203 -9.498 1.00 0.81 H new ATOM 0 HA LEU A 59 -2.095 -8.022 -11.584 1.00 0.87 H new ATOM 0 HB2 LEU A 59 -0.057 -8.887 -12.520 1.00 0.96 H new ATOM 0 HB3 LEU A 59 0.367 -7.466 -11.586 1.00 0.96 H new ATOM 0 HG LEU A 59 0.618 -10.306 -10.600 1.00 1.06 H new ATOM 0 HD11 LEU A 59 3.052 -10.003 -10.912 1.00 1.54 H new ATOM 0 HD12 LEU A 59 2.159 -9.902 -12.448 1.00 1.54 H new ATOM 0 HD13 LEU A 59 2.742 -8.418 -11.658 1.00 1.54 H new ATOM 0 HD21 LEU A 59 2.063 -9.325 -8.857 1.00 1.46 H new ATOM 0 HD22 LEU A 59 1.709 -7.703 -9.499 1.00 1.46 H new ATOM 0 HD23 LEU A 59 0.403 -8.687 -8.796 1.00 1.46 H new ATOM 916 N ARG A 60 -1.455 -10.414 -9.457 1.00 0.83 N ATOM 917 CA ARG A 60 -1.763 -11.774 -9.063 1.00 0.90 C ATOM 918 C ARG A 60 -3.274 -11.986 -8.896 1.00 0.98 C ATOM 919 O ARG A 60 -3.847 -12.903 -9.482 1.00 1.15 O ATOM 920 CB ARG A 60 -1.034 -12.113 -7.760 1.00 1.03 C ATOM 921 CG ARG A 60 0.458 -11.826 -7.821 1.00 1.00 C ATOM 922 CD ARG A 60 1.165 -12.196 -6.527 1.00 1.07 C ATOM 923 NE ARG A 60 2.566 -11.773 -6.536 1.00 1.41 N ATOM 924 CZ ARG A 60 3.590 -12.581 -6.814 1.00 1.94 C ATOM 925 NH1 ARG A 60 3.368 -13.845 -7.148 1.00 2.43 N ATOM 926 NH2 ARG A 60 4.835 -12.125 -6.769 1.00 2.58 N ATOM 0 H ARG A 60 -0.922 -9.889 -8.764 1.00 0.83 H new ATOM 0 HA ARG A 60 -1.422 -12.441 -9.855 1.00 0.90 H new ATOM 0 HB2 ARG A 60 -1.475 -11.541 -6.944 1.00 1.03 H new ATOM 0 HB3 ARG A 60 -1.186 -13.167 -7.529 1.00 1.03 H new ATOM 0 HG2 ARG A 60 0.900 -12.383 -8.647 1.00 1.00 H new ATOM 0 HG3 ARG A 60 0.615 -10.768 -8.030 1.00 1.00 H new ATOM 0 HD2 ARG A 60 0.650 -11.732 -5.686 1.00 1.07 H new ATOM 0 HD3 ARG A 60 1.111 -13.274 -6.378 1.00 1.07 H new ATOM 0 HE ARG A 60 2.772 -10.799 -6.316 1.00 1.41 H new ATOM 0 HH11 ARG A 60 2.413 -14.201 -7.193 1.00 2.43 H new ATOM 0 HH12 ARG A 60 4.152 -14.462 -7.360 1.00 2.43 H new ATOM 0 HH21 ARG A 60 5.013 -11.152 -6.521 1.00 2.58 H new ATOM 0 HH22 ARG A 60 5.614 -12.748 -6.983 1.00 2.58 H new ATOM 940 N TYR A 61 -3.922 -11.132 -8.108 1.00 1.04 N ATOM 941 CA TYR A 61 -5.341 -11.313 -7.798 1.00 1.26 C ATOM 942 C TYR A 61 -6.244 -10.571 -8.784 1.00 1.32 C ATOM 943 O TYR A 61 -7.449 -10.820 -8.836 1.00 1.59 O ATOM 944 CB TYR A 61 -5.652 -10.838 -6.372 1.00 1.52 C ATOM 945 CG TYR A 61 -5.784 -9.333 -6.224 1.00 2.19 C ATOM 946 CD1 TYR A 61 -7.011 -8.700 -6.413 1.00 2.84 C ATOM 947 CD2 TYR A 61 -4.692 -8.546 -5.893 1.00 2.70 C ATOM 948 CE1 TYR A 61 -7.139 -7.333 -6.277 1.00 3.86 C ATOM 949 CE2 TYR A 61 -4.815 -7.176 -5.756 1.00 3.67 C ATOM 950 CZ TYR A 61 -6.039 -6.576 -5.948 1.00 4.23 C ATOM 951 OH TYR A 61 -6.161 -5.213 -5.811 1.00 5.32 O ATOM 0 H TYR A 61 -3.493 -10.314 -7.675 1.00 1.04 H new ATOM 0 HA TYR A 61 -5.546 -12.380 -7.882 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -6.579 -11.306 -6.041 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -4.863 -11.188 -5.706 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -7.878 -9.290 -6.671 1.00 2.84 H new ATOM 0 HD2 TYR A 61 -3.729 -9.011 -5.740 1.00 2.70 H new ATOM 0 HE1 TYR A 61 -8.098 -6.860 -6.428 1.00 3.86 H new ATOM 0 HE2 TYR A 61 -3.953 -6.578 -5.499 1.00 3.67 H new ATOM 0 HH TYR A 61 -5.291 -4.829 -5.575 1.00 5.32 H new ATOM 961 N ARG A 62 -5.658 -9.660 -9.560 1.00 1.28 N ATOM 962 CA ARG A 62 -6.432 -8.745 -10.403 1.00 1.39 C ATOM 963 C ARG A 62 -7.292 -9.493 -11.422 1.00 1.07 C ATOM 964 O ARG A 62 -8.236 -8.931 -11.968 1.00 1.30 O ATOM 965 CB ARG A 62 -5.507 -7.749 -11.118 1.00 1.72 C ATOM 966 CG ARG A 62 -6.253 -6.645 -11.857 1.00 2.15 C ATOM 967 CD ARG A 62 -5.306 -5.666 -12.533 1.00 2.51 C ATOM 968 NE ARG A 62 -4.591 -4.818 -11.576 1.00 3.10 N ATOM 969 CZ ARG A 62 -3.520 -4.083 -11.889 1.00 3.59 C ATOM 970 NH1 ARG A 62 -3.023 -4.117 -13.121 1.00 3.59 N ATOM 971 NH2 ARG A 62 -2.950 -3.308 -10.975 1.00 4.48 N ATOM 0 H ARG A 62 -4.648 -9.535 -9.623 1.00 1.28 H new ATOM 0 HA ARG A 62 -7.104 -8.195 -9.744 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -4.839 -7.297 -10.385 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -4.882 -8.291 -11.827 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -6.908 -7.090 -12.606 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -6.890 -6.106 -11.155 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -4.583 -6.221 -13.131 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -5.871 -5.035 -13.219 1.00 2.51 H new ATOM 0 HE ARG A 62 -4.931 -4.787 -10.615 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -3.459 -4.705 -13.831 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -2.205 -3.555 -13.357 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -3.329 -3.272 -10.029 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -2.133 -2.749 -11.219 1.00 4.48 H new ATOM 985 N ARG A 63 -6.984 -10.759 -11.661 1.00 0.98 N ATOM 986 CA ARG A 63 -7.773 -11.575 -12.577 1.00 1.19 C ATOM 987 C ARG A 63 -9.218 -11.707 -12.079 1.00 1.20 C ATOM 988 O ARG A 63 -10.162 -11.726 -12.869 1.00 1.45 O ATOM 989 CB ARG A 63 -7.140 -12.961 -12.723 1.00 1.61 C ATOM 990 CG ARG A 63 -7.776 -13.816 -13.807 1.00 2.18 C ATOM 991 CD ARG A 63 -7.224 -15.230 -13.790 1.00 2.52 C ATOM 992 NE ARG A 63 -7.572 -15.935 -12.557 1.00 3.12 N ATOM 993 CZ ARG A 63 -6.735 -16.730 -11.887 1.00 3.84 C ATOM 994 NH1 ARG A 63 -5.494 -16.910 -12.318 1.00 4.07 N ATOM 995 NH2 ARG A 63 -7.140 -17.343 -10.784 1.00 4.72 N ATOM 0 H ARG A 63 -6.195 -11.245 -11.235 1.00 0.98 H new ATOM 0 HA ARG A 63 -7.787 -11.084 -13.550 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -6.079 -12.844 -12.942 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -7.213 -13.485 -11.770 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -8.856 -13.843 -13.664 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -7.595 -13.364 -14.782 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -7.612 -15.782 -14.646 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -6.140 -15.198 -13.897 1.00 2.52 H new ATOM 0 HE ARG A 63 -8.514 -15.811 -12.186 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -5.175 -16.440 -13.165 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -4.858 -17.519 -11.802 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -8.093 -17.208 -10.446 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -6.499 -17.950 -10.273 1.00 4.72 H new ATOM 1009 N ALA A 64 -9.384 -11.800 -10.767 1.00 1.07 N ATOM 1010 CA ALA A 64 -10.706 -11.948 -10.166 1.00 1.09 C ATOM 1011 C ALA A 64 -11.328 -10.601 -9.814 1.00 1.08 C ATOM 1012 O ALA A 64 -12.548 -10.490 -9.733 1.00 1.05 O ATOM 1013 CB ALA A 64 -10.622 -12.806 -8.918 1.00 1.17 C ATOM 0 H ALA A 64 -8.617 -11.776 -10.094 1.00 1.07 H new ATOM 0 HA ALA A 64 -11.344 -12.431 -10.906 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -11.615 -12.909 -8.479 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -10.237 -13.792 -9.179 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -9.954 -12.335 -8.197 1.00 1.17 H new ATOM 1019 N PHE A 65 -10.476 -9.594 -9.618 1.00 1.14 N ATOM 1020 CA PHE A 65 -10.887 -8.282 -9.095 1.00 1.22 C ATOM 1021 C PHE A 65 -12.213 -7.777 -9.676 1.00 1.19 C ATOM 1022 O PHE A 65 -13.136 -7.453 -8.929 1.00 1.22 O ATOM 1023 CB PHE A 65 -9.780 -7.248 -9.347 1.00 1.47 C ATOM 1024 CG PHE A 65 -10.192 -5.832 -9.054 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -10.437 -5.422 -7.752 1.00 1.67 C ATOM 1026 CD2 PHE A 65 -10.334 -4.914 -10.080 1.00 1.98 C ATOM 1027 CE1 PHE A 65 -10.815 -4.122 -7.481 1.00 2.44 C ATOM 1028 CE2 PHE A 65 -10.711 -3.614 -9.814 1.00 2.59 C ATOM 1029 CZ PHE A 65 -10.954 -3.217 -8.514 1.00 2.81 C ATOM 0 H PHE A 65 -9.478 -9.661 -9.817 1.00 1.14 H new ATOM 0 HA PHE A 65 -11.048 -8.414 -8.025 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -8.915 -7.499 -8.733 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -9.463 -7.316 -10.388 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -10.331 -6.127 -6.941 1.00 1.67 H new ATOM 0 HD2 PHE A 65 -10.148 -5.219 -11.099 1.00 1.98 H new ATOM 0 HE1 PHE A 65 -11.002 -3.814 -6.463 1.00 2.44 H new ATOM 0 HE2 PHE A 65 -10.816 -2.906 -10.623 1.00 2.59 H new ATOM 0 HZ PHE A 65 -11.252 -2.200 -8.306 1.00 2.81 H new ATOM 1039 N SER A 66 -12.321 -7.742 -10.997 1.00 1.20 N ATOM 1040 CA SER A 66 -13.478 -7.123 -11.644 1.00 1.24 C ATOM 1041 C SER A 66 -14.747 -7.943 -11.412 1.00 1.13 C ATOM 1042 O SER A 66 -15.860 -7.416 -11.466 1.00 1.16 O ATOM 1043 CB SER A 66 -13.227 -6.948 -13.144 1.00 1.45 C ATOM 1044 OG SER A 66 -14.194 -6.089 -13.732 1.00 2.19 O ATOM 0 H SER A 66 -11.631 -8.130 -11.640 1.00 1.20 H new ATOM 0 HA SER A 66 -13.623 -6.140 -11.195 1.00 1.24 H new ATOM 0 HB2 SER A 66 -12.229 -6.539 -13.303 1.00 1.45 H new ATOM 0 HB3 SER A 66 -13.254 -7.921 -13.635 1.00 1.45 H new ATOM 0 HG SER A 66 -14.008 -5.994 -14.690 1.00 2.19 H new ATOM 1050 N ASP A 67 -14.574 -9.226 -11.134 1.00 1.09 N ATOM 1051 CA ASP A 67 -15.700 -10.122 -10.903 1.00 1.08 C ATOM 1052 C ASP A 67 -16.083 -10.153 -9.433 1.00 0.97 C ATOM 1053 O ASP A 67 -17.244 -10.380 -9.087 1.00 1.01 O ATOM 1054 CB ASP A 67 -15.365 -11.543 -11.368 1.00 1.18 C ATOM 1055 CG ASP A 67 -15.534 -11.734 -12.858 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -16.659 -12.055 -13.296 1.00 2.06 O ATOM 1057 OD2 ASP A 67 -14.541 -11.585 -13.600 1.00 2.72 O ATOM 0 H ASP A 67 -13.660 -9.673 -11.062 1.00 1.09 H new ATOM 0 HA ASP A 67 -16.543 -9.742 -11.480 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -14.337 -11.776 -11.092 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -16.005 -12.251 -10.842 1.00 1.18 H new ATOM 1062 N LEU A 68 -15.108 -9.916 -8.562 1.00 0.89 N ATOM 1063 CA LEU A 68 -15.325 -10.056 -7.133 1.00 0.85 C ATOM 1064 C LEU A 68 -16.223 -8.964 -6.572 1.00 0.76 C ATOM 1065 O LEU A 68 -16.774 -9.140 -5.498 1.00 0.77 O ATOM 1066 CB LEU A 68 -13.999 -10.069 -6.376 1.00 0.91 C ATOM 1067 CG LEU A 68 -13.003 -11.138 -6.822 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -11.801 -11.144 -5.903 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -13.656 -12.511 -6.860 1.00 1.56 C ATOM 0 H LEU A 68 -14.165 -9.627 -8.822 1.00 0.89 H new ATOM 0 HA LEU A 68 -15.831 -11.011 -6.991 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -13.529 -9.091 -6.482 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -14.207 -10.209 -5.315 1.00 0.91 H new ATOM 0 HG LEU A 68 -12.671 -10.899 -7.832 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -11.097 -11.910 -6.230 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -11.316 -10.168 -5.932 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -12.123 -11.358 -4.884 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -12.925 -13.253 -7.181 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -14.021 -12.768 -5.866 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -14.491 -12.498 -7.561 1.00 1.56 H new ATOM 1081 N THR A 69 -16.387 -7.857 -7.287 1.00 0.70 N ATOM 1082 CA THR A 69 -17.213 -6.751 -6.795 1.00 0.62 C ATOM 1083 C THR A 69 -18.618 -7.225 -6.449 1.00 0.63 C ATOM 1084 O THR A 69 -19.216 -6.781 -5.466 1.00 0.60 O ATOM 1085 CB THR A 69 -17.302 -5.610 -7.819 1.00 0.62 C ATOM 1086 OG1 THR A 69 -17.388 -6.143 -9.148 1.00 0.69 O ATOM 1087 CG2 THR A 69 -16.106 -4.690 -7.700 1.00 0.63 C ATOM 0 H THR A 69 -15.965 -7.698 -8.202 1.00 0.70 H new ATOM 0 HA THR A 69 -16.728 -6.376 -5.894 1.00 0.62 H new ATOM 0 HB THR A 69 -18.202 -5.031 -7.612 1.00 0.62 H new ATOM 0 HG1 THR A 69 -16.726 -5.702 -9.721 1.00 0.69 H new ATOM 0 HG21 THR A 69 -16.189 -3.889 -8.434 1.00 0.63 H new ATOM 0 HG22 THR A 69 -16.074 -4.262 -6.698 1.00 0.63 H new ATOM 0 HG23 THR A 69 -15.192 -5.256 -7.882 1.00 0.63 H new ATOM 1095 N SER A 70 -19.125 -8.147 -7.253 1.00 0.72 N ATOM 1096 CA SER A 70 -20.411 -8.768 -6.999 1.00 0.80 C ATOM 1097 C SER A 70 -20.377 -9.513 -5.664 1.00 0.76 C ATOM 1098 O SER A 70 -21.355 -9.529 -4.914 1.00 0.76 O ATOM 1099 CB SER A 70 -20.733 -9.738 -8.138 1.00 0.96 C ATOM 1100 OG SER A 70 -22.033 -10.285 -8.005 1.00 1.34 O ATOM 0 H SER A 70 -18.658 -8.483 -8.095 1.00 0.72 H new ATOM 0 HA SER A 70 -21.184 -8.001 -6.948 1.00 0.80 H new ATOM 0 HB2 SER A 70 -20.652 -9.219 -9.093 1.00 0.96 H new ATOM 0 HB3 SER A 70 -19.998 -10.543 -8.150 1.00 0.96 H new ATOM 0 HG SER A 70 -22.207 -10.899 -8.749 1.00 1.34 H new ATOM 1106 N GLN A 71 -19.221 -10.094 -5.367 1.00 0.77 N ATOM 1107 CA GLN A 71 -19.030 -10.887 -4.166 1.00 0.77 C ATOM 1108 C GLN A 71 -18.780 -9.986 -2.962 1.00 0.67 C ATOM 1109 O GLN A 71 -19.204 -10.300 -1.851 1.00 0.74 O ATOM 1110 CB GLN A 71 -17.862 -11.854 -4.351 1.00 0.81 C ATOM 1111 CG GLN A 71 -17.884 -12.569 -5.690 1.00 0.99 C ATOM 1112 CD GLN A 71 -17.019 -13.810 -5.706 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -16.001 -13.833 -4.867 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -17.276 -14.750 -6.458 1.00 1.42 N flip ATOM 0 H GLN A 71 -18.390 -10.027 -5.955 1.00 0.77 H new ATOM 0 HA GLN A 71 -19.938 -11.462 -3.985 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -16.925 -11.305 -4.255 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -17.881 -12.594 -3.551 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -18.910 -12.844 -5.933 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -17.544 -11.885 -6.468 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -18.073 -14.693 -7.092 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -16.692 -15.586 -6.447 1.00 1.42 H new ATOM 1123 N LEU A 72 -18.079 -8.871 -3.177 1.00 0.59 N ATOM 1124 CA LEU A 72 -17.927 -7.872 -2.136 1.00 0.55 C ATOM 1125 C LEU A 72 -19.277 -7.251 -1.818 1.00 0.47 C ATOM 1126 O LEU A 72 -19.562 -6.922 -0.671 1.00 0.48 O ATOM 1127 CB LEU A 72 -16.980 -6.749 -2.580 1.00 0.59 C ATOM 1128 CG LEU A 72 -15.475 -7.008 -2.479 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -15.094 -7.528 -1.106 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.982 -7.926 -3.580 1.00 1.35 C ATOM 0 H LEU A 72 -17.614 -8.645 -4.056 1.00 0.59 H new ATOM 0 HA LEU A 72 -17.513 -8.369 -1.259 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -17.210 -6.507 -3.618 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -17.209 -5.863 -1.987 1.00 0.59 H new ATOM 0 HG LEU A 72 -14.974 -6.050 -2.618 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -14.019 -7.702 -1.068 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -15.370 -6.794 -0.349 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -15.619 -8.463 -0.912 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -13.909 -8.083 -3.470 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -15.497 -8.884 -3.513 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -15.185 -7.472 -4.550 1.00 1.35 H new ATOM 1142 N HIS A 73 -20.121 -7.142 -2.842 1.00 0.48 N ATOM 1143 CA HIS A 73 -21.390 -6.425 -2.734 1.00 0.48 C ATOM 1144 C HIS A 73 -21.088 -4.948 -2.557 1.00 0.43 C ATOM 1145 O HIS A 73 -21.684 -4.262 -1.723 1.00 0.52 O ATOM 1146 CB HIS A 73 -22.256 -6.942 -1.573 1.00 0.55 C ATOM 1147 CG HIS A 73 -22.830 -8.306 -1.795 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -22.264 -9.532 -1.711 1.00 2.06 N flip ATOM 1149 CD2 HIS A 73 -24.148 -8.521 -2.134 1.00 1.97 C flip ATOM 1150 CE1 HIS A 73 -23.241 -10.453 -1.995 1.00 2.72 C flip ATOM 1151 NE2 HIS A 73 -24.367 -9.815 -2.246 1.00 2.62 N flip ATOM 0 H HIS A 73 -19.947 -7.545 -3.763 1.00 0.48 H new ATOM 0 HA HIS A 73 -21.965 -6.592 -3.645 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -21.654 -6.957 -0.664 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -23.072 -6.240 -1.403 1.00 0.55 H new ATOM 0 HD1 HIS A 73 -21.291 -9.734 -1.480 1.00 2.06 H new ATOM 0 HD2 HIS A 73 -24.887 -7.748 -2.285 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -23.109 -11.525 -2.010 1.00 2.72 H new ATOM 1160 N ILE A 74 -20.119 -4.496 -3.344 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.676 -3.113 -3.358 1.00 0.41 C ATOM 1162 C ILE A 74 -20.846 -2.165 -3.573 1.00 0.49 C ATOM 1163 O ILE A 74 -21.495 -2.173 -4.621 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.624 -2.927 -4.463 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -17.423 -3.820 -4.178 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -18.189 -1.478 -4.567 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.617 -3.375 -2.978 1.00 0.39 C ATOM 0 H ILE A 74 -19.613 -5.092 -3.999 1.00 0.45 H new ATOM 0 HA ILE A 74 -19.233 -2.876 -2.391 1.00 0.41 H new ATOM 0 HB ILE A 74 -19.069 -3.210 -5.417 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -17.769 -4.841 -4.016 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -16.776 -3.838 -5.055 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -17.445 -1.377 -5.357 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -19.052 -0.855 -4.800 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -17.757 -1.159 -3.619 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -15.777 -4.054 -2.832 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -16.242 -2.365 -3.146 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -17.250 -3.384 -2.091 1.00 0.39 H new ATOM 1179 N THR A 75 -21.108 -1.367 -2.558 1.00 0.38 N ATOM 1180 CA THR A 75 -22.284 -0.530 -2.508 1.00 0.40 C ATOM 1181 C THR A 75 -22.016 0.581 -1.466 1.00 0.37 C ATOM 1182 O THR A 75 -20.853 0.773 -1.104 1.00 0.34 O ATOM 1183 CB THR A 75 -23.503 -1.438 -2.153 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.702 -0.966 -2.778 1.00 0.51 O ATOM 1185 CG2 THR A 75 -23.714 -1.556 -0.649 1.00 0.46 C ATOM 0 H THR A 75 -20.505 -1.282 -1.740 1.00 0.38 H new ATOM 0 HA THR A 75 -22.510 -0.045 -3.457 1.00 0.40 H new ATOM 0 HB THR A 75 -23.271 -2.431 -2.538 1.00 0.46 H new ATOM 0 HG1 THR A 75 -25.449 -1.554 -2.540 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.573 -2.197 -0.451 1.00 0.46 H new ATOM 0 HG22 THR A 75 -22.825 -1.988 -0.190 1.00 0.46 H new ATOM 0 HG23 THR A 75 -23.895 -0.567 -0.228 1.00 0.46 H new ATOM 1193 N PRO A 76 -23.033 1.378 -1.043 1.00 0.38 N ATOM 1194 CA PRO A 76 -22.992 2.205 0.167 1.00 0.37 C ATOM 1195 C PRO A 76 -22.095 1.667 1.299 1.00 0.35 C ATOM 1196 O PRO A 76 -21.684 0.511 1.287 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.456 2.196 0.602 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.254 1.996 -0.652 1.00 0.47 C ATOM 1199 CD PRO A 76 -24.289 1.631 -1.754 1.00 0.44 C ATOM 0 HA PRO A 76 -22.561 3.185 -0.040 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.646 1.397 1.318 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -24.724 3.132 1.091 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -25.993 1.207 -0.514 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -25.801 2.904 -0.907 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.623 0.751 -2.304 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -24.184 2.439 -2.479 1.00 0.44 H new ATOM 1207 N GLY A 77 -21.824 2.555 2.268 1.00 0.36 N ATOM 1208 CA GLY A 77 -20.857 2.354 3.364 1.00 0.37 C ATOM 1209 C GLY A 77 -20.609 0.927 3.859 1.00 0.38 C ATOM 1210 O GLY A 77 -19.525 0.643 4.372 1.00 0.40 O ATOM 0 H GLY A 77 -22.286 3.463 2.314 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -19.900 2.766 3.043 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -21.190 2.948 4.215 1.00 0.37 H new ATOM 1214 N THR A 78 -21.573 0.032 3.714 1.00 0.40 N ATOM 1215 CA THR A 78 -21.422 -1.343 4.170 1.00 0.42 C ATOM 1216 C THR A 78 -20.406 -2.122 3.328 1.00 0.38 C ATOM 1217 O THR A 78 -20.216 -3.325 3.514 1.00 0.40 O ATOM 1218 CB THR A 78 -22.775 -2.067 4.162 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.375 -1.987 2.859 1.00 0.50 O ATOM 1220 CG2 THR A 78 -23.693 -1.434 5.187 1.00 0.56 C ATOM 0 H THR A 78 -22.474 0.234 3.281 1.00 0.40 H new ATOM 0 HA THR A 78 -21.043 -1.300 5.191 1.00 0.42 H new ATOM 0 HB THR A 78 -22.617 -3.116 4.412 1.00 0.49 H new ATOM 0 HG1 THR A 78 -24.237 -2.454 2.866 1.00 0.50 H new ATOM 0 HG21 THR A 78 -24.654 -1.948 5.181 1.00 0.56 H new ATOM 0 HG22 THR A 78 -23.244 -1.515 6.177 1.00 0.56 H new ATOM 0 HG23 THR A 78 -23.843 -0.383 4.941 1.00 0.56 H new ATOM 1228 N ALA A 79 -19.731 -1.422 2.424 1.00 0.34 N ATOM 1229 CA ALA A 79 -18.648 -2.004 1.649 1.00 0.31 C ATOM 1230 C ALA A 79 -17.427 -2.223 2.532 1.00 0.30 C ATOM 1231 O ALA A 79 -16.482 -2.913 2.155 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.303 -1.113 0.469 1.00 0.32 C ATOM 0 H ALA A 79 -19.919 -0.442 2.210 1.00 0.34 H new ATOM 0 HA ALA A 79 -18.973 -2.970 1.264 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.490 -1.563 -0.101 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -19.178 -1.003 -0.172 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -17.993 -0.133 0.832 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.455 -1.635 3.723 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.396 -1.846 4.700 1.00 0.36 C ATOM 1240 C TYR A 80 -16.587 -3.202 5.362 1.00 0.36 C ATOM 1241 O TYR A 80 -15.655 -3.774 5.917 1.00 0.38 O ATOM 1242 CB TYR A 80 -16.386 -0.722 5.742 1.00 0.44 C ATOM 1243 CG TYR A 80 -15.245 -0.816 6.734 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -13.924 -0.674 6.322 1.00 2.21 C ATOM 1245 CD2 TYR A 80 -15.490 -1.039 8.082 1.00 1.69 C ATOM 1246 CE1 TYR A 80 -12.881 -0.755 7.227 1.00 3.13 C ATOM 1247 CE2 TYR A 80 -14.455 -1.121 8.993 1.00 2.52 C ATOM 1248 CZ TYR A 80 -13.152 -0.978 8.561 1.00 3.12 C ATOM 1249 OH TYR A 80 -12.119 -1.055 9.469 1.00 4.13 O ATOM 0 H TYR A 80 -18.199 -1.010 4.034 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.431 -1.831 4.194 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -16.329 0.237 5.227 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -17.330 -0.736 6.286 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -13.709 -0.498 5.278 1.00 2.21 H new ATOM 0 HD2 TYR A 80 -16.508 -1.150 8.425 1.00 1.69 H new ATOM 0 HE1 TYR A 80 -11.861 -0.644 6.891 1.00 3.13 H new ATOM 0 HE2 TYR A 80 -14.664 -1.296 10.038 1.00 2.52 H new ATOM 0 HH TYR A 80 -12.482 -1.215 10.365 1.00 4.13 H new ATOM 1259 N GLN A 81 -17.804 -3.721 5.269 1.00 0.37 N ATOM 1260 CA GLN A 81 -18.103 -5.067 5.734 1.00 0.41 C ATOM 1261 C GLN A 81 -17.757 -6.071 4.650 1.00 0.41 C ATOM 1262 O GLN A 81 -17.557 -7.258 4.904 1.00 0.46 O ATOM 1263 CB GLN A 81 -19.570 -5.177 6.129 1.00 0.45 C ATOM 1264 CG GLN A 81 -19.842 -4.696 7.543 1.00 0.58 C ATOM 1265 CD GLN A 81 -21.310 -4.431 7.796 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -22.057 -5.324 8.192 1.00 1.03 O ATOM 1267 NE2 GLN A 81 -21.730 -3.198 7.576 1.00 0.79 N ATOM 0 H GLN A 81 -18.604 -3.226 4.873 1.00 0.37 H new ATOM 0 HA GLN A 81 -17.500 -5.285 6.616 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -20.173 -4.596 5.431 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -19.888 -6.215 6.037 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -19.484 -5.443 8.252 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -19.275 -3.784 7.728 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -21.076 -2.487 7.248 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -22.708 -2.957 7.735 1.00 0.79 H new ATOM 1276 N SER A 82 -17.691 -5.565 3.440 1.00 0.39 N ATOM 1277 CA SER A 82 -17.186 -6.318 2.307 1.00 0.41 C ATOM 1278 C SER A 82 -15.675 -6.418 2.411 1.00 0.41 C ATOM 1279 O SER A 82 -15.097 -7.503 2.352 1.00 0.48 O ATOM 1280 CB SER A 82 -17.567 -5.600 1.021 1.00 0.41 C ATOM 1281 OG SER A 82 -18.900 -5.124 1.092 1.00 0.43 O ATOM 0 H SER A 82 -17.986 -4.616 3.209 1.00 0.39 H new ATOM 0 HA SER A 82 -17.616 -7.320 2.303 1.00 0.41 H new ATOM 0 HB2 SER A 82 -16.886 -4.767 0.848 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.462 -6.278 0.174 1.00 0.41 H new ATOM 0 HG SER A 82 -19.483 -5.703 0.557 1.00 0.43 H new ATOM 1287 N PHE A 83 -15.048 -5.263 2.592 1.00 0.38 N ATOM 1288 CA PHE A 83 -13.614 -5.186 2.798 1.00 0.37 C ATOM 1289 C PHE A 83 -13.238 -5.837 4.126 1.00 0.38 C ATOM 1290 O PHE A 83 -12.082 -6.182 4.354 1.00 0.39 O ATOM 1291 CB PHE A 83 -13.141 -3.730 2.757 1.00 0.36 C ATOM 1292 CG PHE A 83 -11.646 -3.593 2.802 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -10.870 -3.954 1.713 1.00 0.79 C ATOM 1294 CD2 PHE A 83 -11.021 -3.089 3.930 1.00 0.75 C ATOM 1295 CE1 PHE A 83 -9.498 -3.811 1.750 1.00 1.07 C ATOM 1296 CE2 PHE A 83 -9.650 -2.946 3.973 1.00 1.05 C ATOM 1297 CZ PHE A 83 -8.881 -3.375 2.888 1.00 1.18 C ATOM 0 H PHE A 83 -15.520 -4.359 2.600 1.00 0.38 H new ATOM 0 HA PHE A 83 -13.117 -5.727 1.993 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -13.516 -3.258 1.849 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -13.575 -3.190 3.599 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -11.343 -4.351 0.827 1.00 0.79 H new ATOM 0 HD2 PHE A 83 -11.614 -2.804 4.786 1.00 0.75 H new ATOM 0 HE1 PHE A 83 -8.909 -4.045 0.875 1.00 1.07 H new ATOM 0 HE2 PHE A 83 -9.175 -2.506 4.838 1.00 1.05 H new ATOM 0 HZ PHE A 83 -7.803 -3.362 2.949 1.00 1.18 H new ATOM 1307 N GLU A 84 -14.226 -6.006 4.995 1.00 0.41 N ATOM 1308 CA GLU A 84 -14.017 -6.636 6.289 1.00 0.48 C ATOM 1309 C GLU A 84 -13.493 -8.031 6.099 1.00 0.52 C ATOM 1310 O GLU A 84 -12.486 -8.425 6.680 1.00 0.55 O ATOM 1311 CB GLU A 84 -15.322 -6.730 7.052 1.00 0.55 C ATOM 1312 CG GLU A 84 -15.158 -7.306 8.440 1.00 0.62 C ATOM 1313 CD GLU A 84 -16.420 -7.215 9.271 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -16.762 -6.098 9.719 1.00 0.80 O ATOM 1315 OE2 GLU A 84 -17.078 -8.255 9.477 1.00 0.78 O ATOM 0 H GLU A 84 -15.188 -5.712 4.823 1.00 0.41 H new ATOM 0 HA GLU A 84 -13.303 -6.030 6.846 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -15.764 -5.737 7.127 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -16.021 -7.348 6.489 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -14.856 -8.350 8.361 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -14.353 -6.780 8.953 1.00 0.62 H new ATOM 1322 N GLN A 85 -14.213 -8.752 5.267 1.00 0.57 N ATOM 1323 CA GLN A 85 -13.893 -10.123 4.901 1.00 0.65 C ATOM 1324 C GLN A 85 -12.433 -10.248 4.517 1.00 0.64 C ATOM 1325 O GLN A 85 -11.783 -11.262 4.766 1.00 0.71 O ATOM 1326 CB GLN A 85 -14.764 -10.520 3.723 1.00 0.69 C ATOM 1327 CG GLN A 85 -16.204 -10.151 3.945 1.00 0.79 C ATOM 1328 CD GLN A 85 -16.898 -11.000 4.988 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -16.578 -12.177 5.176 1.00 1.44 O ATOM 1330 NE2 GLN A 85 -17.855 -10.404 5.675 1.00 1.62 N ATOM 0 H GLN A 85 -15.056 -8.398 4.814 1.00 0.57 H new ATOM 0 HA GLN A 85 -14.079 -10.778 5.752 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -14.399 -10.032 2.820 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -14.685 -11.595 3.558 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -16.259 -9.105 4.246 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -16.742 -10.240 3.001 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -18.087 -9.429 5.486 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -18.363 -10.919 6.394 1.00 1.62 H new ATOM 1339 N VAL A 86 -11.938 -9.173 3.939 1.00 0.58 N ATOM 1340 CA VAL A 86 -10.596 -9.114 3.408 1.00 0.62 C ATOM 1341 C VAL A 86 -9.612 -8.662 4.458 1.00 0.55 C ATOM 1342 O VAL A 86 -8.588 -9.284 4.675 1.00 0.59 O ATOM 1343 CB VAL A 86 -10.493 -8.129 2.255 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -9.443 -8.621 1.297 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -11.840 -7.911 1.594 1.00 1.30 C ATOM 0 H VAL A 86 -12.464 -8.307 3.824 1.00 0.58 H new ATOM 0 HA VAL A 86 -10.363 -10.123 3.068 1.00 0.62 H new ATOM 0 HB VAL A 86 -10.189 -7.150 2.625 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -9.357 -7.925 0.463 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -8.485 -8.691 1.812 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -9.726 -9.604 0.921 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -11.732 -7.202 0.774 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -12.213 -8.859 1.207 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -12.544 -7.515 2.326 1.00 1.30 H new ATOM 1355 N VAL A 87 -9.918 -7.558 5.103 1.00 0.51 N ATOM 1356 CA VAL A 87 -9.025 -7.010 6.098 1.00 0.51 C ATOM 1357 C VAL A 87 -8.840 -8.022 7.224 1.00 0.56 C ATOM 1358 O VAL A 87 -7.843 -8.016 7.944 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.556 -5.671 6.643 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -10.742 -5.870 7.578 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -8.449 -4.902 7.325 1.00 0.85 C ATOM 0 H VAL A 87 -10.775 -7.024 4.957 1.00 0.51 H new ATOM 0 HA VAL A 87 -8.059 -6.811 5.635 1.00 0.51 H new ATOM 0 HB VAL A 87 -9.912 -5.086 5.795 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -11.086 -4.901 7.940 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.551 -6.364 7.040 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.439 -6.487 8.424 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -8.842 -3.958 7.704 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -8.054 -5.490 8.154 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -7.651 -4.702 6.610 1.00 0.85 H new ATOM 1371 N ASN A 88 -9.817 -8.910 7.315 1.00 0.61 N ATOM 1372 CA ASN A 88 -9.808 -10.022 8.244 1.00 0.71 C ATOM 1373 C ASN A 88 -8.901 -11.157 7.765 1.00 0.78 C ATOM 1374 O ASN A 88 -8.222 -11.796 8.570 1.00 0.91 O ATOM 1375 CB ASN A 88 -11.232 -10.523 8.431 1.00 0.73 C ATOM 1376 CG ASN A 88 -11.881 -9.925 9.661 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -11.798 -10.486 10.755 1.00 0.87 O ATOM 1378 ND2 ASN A 88 -12.542 -8.789 9.494 1.00 0.73 N ATOM 0 H ASN A 88 -10.654 -8.875 6.733 1.00 0.61 H new ATOM 0 HA ASN A 88 -9.408 -9.674 9.196 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -11.824 -10.274 7.550 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -11.227 -11.610 8.515 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -13.006 -8.347 10.288 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -12.587 -8.356 8.572 1.00 0.73 H new ATOM 1385 N GLU A 89 -8.873 -11.397 6.454 1.00 0.75 N ATOM 1386 CA GLU A 89 -8.039 -12.456 5.891 1.00 0.84 C ATOM 1387 C GLU A 89 -6.632 -11.958 5.683 1.00 0.82 C ATOM 1388 O GLU A 89 -5.692 -12.726 5.491 1.00 0.98 O ATOM 1389 CB GLU A 89 -8.600 -13.000 4.577 1.00 0.87 C ATOM 1390 CG GLU A 89 -8.999 -11.957 3.547 1.00 1.25 C ATOM 1391 CD GLU A 89 -7.947 -11.525 2.572 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -6.858 -11.092 2.977 1.00 2.58 O ATOM 1393 OE2 GLU A 89 -8.238 -11.616 1.367 1.00 2.87 O ATOM 0 H GLU A 89 -9.416 -10.875 5.766 1.00 0.75 H new ATOM 0 HA GLU A 89 -8.034 -13.276 6.609 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -7.855 -13.658 4.130 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -9.473 -13.613 4.802 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -9.845 -12.346 2.981 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -9.351 -11.073 4.079 1.00 1.25 H new ATOM 1400 N LEU A 90 -6.501 -10.664 5.688 1.00 0.69 N ATOM 1401 CA LEU A 90 -5.229 -10.051 5.492 1.00 0.64 C ATOM 1402 C LEU A 90 -4.372 -10.174 6.758 1.00 0.70 C ATOM 1403 O LEU A 90 -3.244 -10.654 6.717 1.00 0.80 O ATOM 1404 CB LEU A 90 -5.455 -8.589 5.123 1.00 0.56 C ATOM 1405 CG LEU A 90 -4.738 -8.071 3.871 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -4.218 -9.178 2.985 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -5.673 -7.176 3.085 1.00 1.28 C ATOM 0 H LEU A 90 -7.271 -10.010 5.828 1.00 0.69 H new ATOM 0 HA LEU A 90 -4.691 -10.552 4.687 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -6.526 -8.434 4.989 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -5.148 -7.974 5.969 1.00 0.56 H new ATOM 0 HG LEU A 90 -3.869 -7.508 4.210 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -3.721 -8.746 2.116 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -3.508 -9.788 3.543 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -5.049 -9.801 2.655 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -5.162 -6.808 2.195 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -6.556 -7.743 2.789 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -5.975 -6.332 3.705 1.00 1.28 H new ATOM 1419 N PHE A 91 -4.935 -9.791 7.899 1.00 0.73 N ATOM 1420 CA PHE A 91 -4.140 -9.589 9.108 1.00 0.82 C ATOM 1421 C PHE A 91 -3.976 -10.860 9.940 1.00 0.91 C ATOM 1422 O PHE A 91 -3.019 -10.984 10.705 1.00 1.06 O ATOM 1423 CB PHE A 91 -4.781 -8.496 9.973 1.00 0.88 C ATOM 1424 CG PHE A 91 -5.859 -8.990 10.905 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -7.089 -9.385 10.411 1.00 1.70 C ATOM 1426 CD2 PHE A 91 -5.642 -9.057 12.271 1.00 1.26 C ATOM 1427 CE1 PHE A 91 -8.082 -9.836 11.261 1.00 2.30 C ATOM 1428 CE2 PHE A 91 -6.630 -9.507 13.125 1.00 1.75 C ATOM 1429 CZ PHE A 91 -7.840 -9.903 12.630 1.00 2.23 C ATOM 0 H PHE A 91 -5.933 -9.615 8.013 1.00 0.73 H new ATOM 0 HA PHE A 91 -3.145 -9.289 8.781 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -4.002 -8.013 10.562 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -5.205 -7.734 9.319 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -7.276 -9.341 9.348 1.00 1.70 H new ATOM 0 HD2 PHE A 91 -4.687 -8.753 12.674 1.00 1.26 H new ATOM 0 HE1 PHE A 91 -9.041 -10.135 10.864 1.00 2.30 H new ATOM 0 HE2 PHE A 91 -6.445 -9.546 14.188 1.00 1.75 H new ATOM 0 HZ PHE A 91 -8.606 -10.267 13.299 1.00 2.23 H new ATOM 1439 N ARG A 92 -4.900 -11.792 9.780 1.00 0.96 N ATOM 1440 CA ARG A 92 -5.045 -12.901 10.727 1.00 1.11 C ATOM 1441 C ARG A 92 -3.776 -13.744 10.877 1.00 0.83 C ATOM 1442 O ARG A 92 -3.425 -14.149 11.983 1.00 0.90 O ATOM 1443 CB ARG A 92 -6.234 -13.804 10.346 1.00 1.53 C ATOM 1444 CG ARG A 92 -5.948 -14.853 9.277 1.00 1.62 C ATOM 1445 CD ARG A 92 -5.973 -14.262 7.897 1.00 2.21 C ATOM 1446 NE ARG A 92 -5.303 -15.107 6.914 1.00 3.27 N ATOM 1447 CZ ARG A 92 -5.925 -15.933 6.076 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -7.240 -16.104 6.146 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -5.223 -16.581 5.155 1.00 5.06 N ATOM 0 H ARG A 92 -5.564 -11.809 9.006 1.00 0.96 H new ATOM 0 HA ARG A 92 -5.235 -12.438 11.695 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -6.583 -14.313 11.244 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -7.051 -13.171 10.000 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -4.973 -15.304 9.462 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -6.687 -15.652 9.344 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -7.007 -14.105 7.591 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -5.494 -13.283 7.916 1.00 2.21 H new ATOM 0 HE ARG A 92 -4.285 -15.061 6.866 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -7.783 -15.600 6.847 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -7.707 -16.739 5.499 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -4.214 -16.444 5.093 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -5.692 -17.216 4.509 1.00 5.06 H new ATOM 1463 N ASP A 93 -3.083 -13.990 9.783 1.00 0.84 N ATOM 1464 CA ASP A 93 -2.032 -15.000 9.776 1.00 1.10 C ATOM 1465 C ASP A 93 -0.613 -14.456 9.663 1.00 1.31 C ATOM 1466 O ASP A 93 0.289 -15.198 9.271 1.00 1.88 O ATOM 1467 CB ASP A 93 -2.253 -15.968 8.633 1.00 1.65 C ATOM 1468 CG ASP A 93 -2.020 -15.351 7.270 1.00 2.40 C ATOM 1469 OD1 ASP A 93 -2.769 -14.424 6.894 1.00 3.12 O ATOM 1470 OD2 ASP A 93 -1.076 -15.772 6.577 1.00 2.58 O ATOM 0 H ASP A 93 -3.223 -13.512 8.893 1.00 0.84 H new ATOM 0 HA ASP A 93 -2.108 -15.485 10.749 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -1.587 -16.822 8.756 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -3.273 -16.350 8.682 1.00 1.65 H new ATOM 1475 N GLY A 94 -0.365 -13.215 10.030 1.00 1.11 N ATOM 1476 CA GLY A 94 0.983 -12.711 9.822 1.00 1.69 C ATOM 1477 C GLY A 94 1.070 -11.326 9.210 1.00 1.62 C ATOM 1478 O GLY A 94 1.360 -11.193 8.024 1.00 2.31 O ATOM 0 H GLY A 94 -1.032 -12.567 10.450 1.00 1.11 H new ATOM 0 HA2 GLY A 94 1.501 -12.700 10.781 1.00 1.69 H new ATOM 0 HA3 GLY A 94 1.519 -13.409 9.179 1.00 1.69 H new ATOM 1482 N VAL A 95 0.763 -10.295 9.983 1.00 0.85 N ATOM 1483 CA VAL A 95 0.861 -8.929 9.475 1.00 0.67 C ATOM 1484 C VAL A 95 2.311 -8.497 9.308 1.00 0.62 C ATOM 1485 O VAL A 95 3.012 -8.198 10.271 1.00 0.61 O ATOM 1486 CB VAL A 95 0.151 -7.920 10.401 1.00 0.59 C ATOM 1487 CG1 VAL A 95 0.366 -6.491 9.914 1.00 0.84 C ATOM 1488 CG2 VAL A 95 -1.328 -8.232 10.510 1.00 1.06 C ATOM 0 H VAL A 95 0.448 -10.372 10.950 1.00 0.85 H new ATOM 0 HA VAL A 95 0.368 -8.932 8.503 1.00 0.67 H new ATOM 0 HB VAL A 95 0.590 -8.010 11.395 1.00 0.59 H new ATOM 0 HG11 VAL A 95 -0.144 -5.798 10.583 1.00 0.84 H new ATOM 0 HG12 VAL A 95 1.433 -6.267 9.904 1.00 0.84 H new ATOM 0 HG13 VAL A 95 -0.037 -6.385 8.907 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -1.805 -7.506 11.168 1.00 1.06 H new ATOM 0 HG22 VAL A 95 -1.785 -8.181 9.522 1.00 1.06 H new ATOM 0 HG23 VAL A 95 -1.459 -9.234 10.919 1.00 1.06 H new ATOM 1498 N ASN A 96 2.755 -8.512 8.059 1.00 0.76 N ATOM 1499 CA ASN A 96 4.123 -8.150 7.711 1.00 0.86 C ATOM 1500 C ASN A 96 4.120 -6.848 6.923 1.00 0.72 C ATOM 1501 O ASN A 96 3.063 -6.240 6.734 1.00 0.62 O ATOM 1502 CB ASN A 96 4.783 -9.255 6.870 1.00 1.17 C ATOM 1503 CG ASN A 96 4.373 -10.654 7.296 1.00 1.47 C ATOM 1504 OD1 ASN A 96 4.065 -10.825 8.572 1.00 2.12 O flip ATOM 1505 ND2 ASN A 96 4.329 -11.573 6.481 1.00 1.67 N flip ATOM 0 H ASN A 96 2.179 -8.775 7.259 1.00 0.76 H new ATOM 0 HA ASN A 96 4.693 -8.026 8.632 1.00 0.86 H new ATOM 0 HB2 ASN A 96 4.522 -9.110 5.822 1.00 1.17 H new ATOM 0 HB3 ASN A 96 5.866 -9.162 6.945 1.00 1.17 H new ATOM 0 HD21 ASN A 96 4.574 -11.402 5.506 1.00 1.67 H new ATOM 0 HD22 ASN A 96 4.048 -12.507 6.780 1.00 1.67 H new ATOM 1512 N TRP A 97 5.290 -6.443 6.443 1.00 0.77 N ATOM 1513 CA TRP A 97 5.421 -5.229 5.642 1.00 0.72 C ATOM 1514 C TRP A 97 4.567 -5.323 4.377 1.00 0.63 C ATOM 1515 O TRP A 97 3.645 -4.530 4.170 1.00 0.59 O ATOM 1516 CB TRP A 97 6.883 -5.011 5.237 1.00 0.86 C ATOM 1517 CG TRP A 97 7.851 -4.939 6.380 1.00 0.68 C ATOM 1518 CD1 TRP A 97 8.275 -3.815 7.029 1.00 0.83 C ATOM 1519 CD2 TRP A 97 8.534 -6.038 6.991 1.00 1.43 C ATOM 1520 NE1 TRP A 97 9.181 -4.151 8.007 1.00 0.99 N ATOM 1521 CE2 TRP A 97 9.353 -5.510 8.004 1.00 1.60 C ATOM 1522 CE3 TRP A 97 8.530 -7.420 6.781 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 10.161 -6.314 8.804 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 9.332 -8.216 7.575 1.00 3.24 C ATOM 1525 CH2 TRP A 97 10.138 -7.660 8.575 1.00 3.34 C ATOM 0 H TRP A 97 6.167 -6.940 6.595 1.00 0.77 H new ATOM 0 HA TRP A 97 5.079 -4.390 6.249 1.00 0.72 H new ATOM 0 HB2 TRP A 97 7.186 -5.821 4.574 1.00 0.86 H new ATOM 0 HB3 TRP A 97 6.952 -4.087 4.663 1.00 0.86 H new ATOM 0 HD1 TRP A 97 7.947 -2.810 6.807 1.00 0.83 H new ATOM 0 HE1 TRP A 97 9.649 -3.495 8.633 1.00 0.99 H new ATOM 0 HE3 TRP A 97 7.911 -7.857 6.012 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 10.783 -5.888 9.577 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 9.337 -9.285 7.422 1.00 3.24 H new ATOM 0 HH2 TRP A 97 10.755 -8.309 9.178 1.00 3.34 H new ATOM 1536 N GLY A 98 4.871 -6.319 3.550 1.00 0.69 N ATOM 1537 CA GLY A 98 4.188 -6.484 2.278 1.00 0.69 C ATOM 1538 C GLY A 98 2.727 -6.843 2.446 1.00 0.62 C ATOM 1539 O GLY A 98 1.904 -6.569 1.575 1.00 0.61 O ATOM 0 H GLY A 98 5.586 -7.022 3.741 1.00 0.69 H new ATOM 0 HA2 GLY A 98 4.268 -5.561 1.704 1.00 0.69 H new ATOM 0 HA3 GLY A 98 4.686 -7.263 1.700 1.00 0.69 H new ATOM 1543 N ARG A 99 2.405 -7.457 3.571 1.00 0.65 N ATOM 1544 CA ARG A 99 1.038 -7.845 3.865 1.00 0.67 C ATOM 1545 C ARG A 99 0.171 -6.594 3.999 1.00 0.53 C ATOM 1546 O ARG A 99 -0.968 -6.555 3.529 1.00 0.55 O ATOM 1547 CB ARG A 99 1.014 -8.679 5.154 1.00 0.82 C ATOM 1548 CG ARG A 99 -0.175 -9.619 5.263 1.00 1.04 C ATOM 1549 CD ARG A 99 -1.479 -8.858 5.363 1.00 1.50 C ATOM 1550 NE ARG A 99 -1.603 -8.132 6.630 1.00 2.48 N ATOM 1551 CZ ARG A 99 -2.267 -6.985 6.768 1.00 3.32 C ATOM 1552 NH1 ARG A 99 -2.806 -6.398 5.709 1.00 3.44 N ATOM 1553 NH2 ARG A 99 -2.381 -6.418 7.962 1.00 4.24 N ATOM 0 H ARG A 99 3.077 -7.698 4.300 1.00 0.65 H new ATOM 0 HA ARG A 99 0.636 -8.453 3.054 1.00 0.67 H new ATOM 0 HB2 ARG A 99 1.932 -9.264 5.213 1.00 0.82 H new ATOM 0 HB3 ARG A 99 1.010 -8.005 6.010 1.00 0.82 H new ATOM 0 HG2 ARG A 99 -0.202 -10.275 4.393 1.00 1.04 H new ATOM 0 HG3 ARG A 99 -0.057 -10.256 6.139 1.00 1.04 H new ATOM 0 HD2 ARG A 99 -1.550 -8.153 4.534 1.00 1.50 H new ATOM 0 HD3 ARG A 99 -2.312 -9.554 5.262 1.00 1.50 H new ATOM 0 HE ARG A 99 -1.154 -8.528 7.456 1.00 2.48 H new ATOM 0 HH11 ARG A 99 -2.713 -6.824 4.787 1.00 3.44 H new ATOM 0 HH12 ARG A 99 -3.314 -5.520 5.816 1.00 3.44 H new ATOM 0 HH21 ARG A 99 -1.959 -6.860 8.779 1.00 4.24 H new ATOM 0 HH22 ARG A 99 -2.890 -5.540 8.063 1.00 4.24 H new ATOM 1567 N ILE A 100 0.719 -5.566 4.628 1.00 0.44 N ATOM 1568 CA ILE A 100 0.008 -4.308 4.789 1.00 0.36 C ATOM 1569 C ILE A 100 -0.127 -3.596 3.443 1.00 0.33 C ATOM 1570 O ILE A 100 -1.129 -2.932 3.180 1.00 0.34 O ATOM 1571 CB ILE A 100 0.705 -3.413 5.833 1.00 0.32 C ATOM 1572 CG1 ILE A 100 0.630 -4.084 7.202 1.00 0.33 C ATOM 1573 CG2 ILE A 100 0.074 -2.033 5.878 1.00 0.34 C ATOM 1574 CD1 ILE A 100 1.372 -3.341 8.285 1.00 0.34 C ATOM 0 H ILE A 100 1.654 -5.578 5.035 1.00 0.44 H new ATOM 0 HA ILE A 100 -0.995 -4.521 5.158 1.00 0.36 H new ATOM 0 HB ILE A 100 1.750 -3.286 5.549 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.416 -4.181 7.492 1.00 0.33 H new ATOM 0 HG13 ILE A 100 1.034 -5.093 7.124 1.00 0.33 H new ATOM 0 HG21 ILE A 100 0.585 -1.423 6.623 1.00 0.34 H new ATOM 0 HG22 ILE A 100 0.162 -1.561 4.900 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -0.979 -2.123 6.144 1.00 0.34 H new ATOM 0 HD11 ILE A 100 1.273 -3.878 9.228 1.00 0.34 H new ATOM 0 HD12 ILE A 100 2.426 -3.267 8.018 1.00 0.34 H new ATOM 0 HD13 ILE A 100 0.953 -2.340 8.392 1.00 0.34 H new ATOM 1586 N VAL A 101 0.878 -3.768 2.589 1.00 0.33 N ATOM 1587 CA VAL A 101 0.809 -3.320 1.196 1.00 0.35 C ATOM 1588 C VAL A 101 -0.454 -3.836 0.536 1.00 0.37 C ATOM 1589 O VAL A 101 -1.253 -3.067 0.011 1.00 0.45 O ATOM 1590 CB VAL A 101 2.002 -3.843 0.385 1.00 0.46 C ATOM 1591 CG1 VAL A 101 1.898 -3.416 -1.069 1.00 1.35 C ATOM 1592 CG2 VAL A 101 3.300 -3.379 1.002 1.00 1.32 C ATOM 0 H VAL A 101 1.759 -4.218 2.838 1.00 0.33 H new ATOM 0 HA VAL A 101 0.819 -2.230 1.210 1.00 0.35 H new ATOM 0 HB VAL A 101 1.986 -4.933 0.409 1.00 0.46 H new ATOM 0 HG11 VAL A 101 2.755 -3.799 -1.623 1.00 1.35 H new ATOM 0 HG12 VAL A 101 0.980 -3.814 -1.500 1.00 1.35 H new ATOM 0 HG13 VAL A 101 1.884 -2.328 -1.129 1.00 1.35 H new ATOM 0 HG21 VAL A 101 4.137 -3.758 0.416 1.00 1.32 H new ATOM 0 HG22 VAL A 101 3.328 -2.289 1.013 1.00 1.32 H new ATOM 0 HG23 VAL A 101 3.372 -3.754 2.023 1.00 1.32 H new ATOM 1602 N ALA A 102 -0.599 -5.156 0.556 1.00 0.37 N ATOM 1603 CA ALA A 102 -1.775 -5.830 0.004 1.00 0.39 C ATOM 1604 C ALA A 102 -3.066 -5.178 0.478 1.00 0.35 C ATOM 1605 O ALA A 102 -4.011 -4.991 -0.291 1.00 0.34 O ATOM 1606 CB ALA A 102 -1.771 -7.289 0.413 1.00 0.44 C ATOM 0 H ALA A 102 0.093 -5.791 0.954 1.00 0.37 H new ATOM 0 HA ALA A 102 -1.727 -5.746 -1.082 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -2.649 -7.785 -0.001 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -0.869 -7.771 0.034 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -1.792 -7.362 1.500 1.00 0.44 H new ATOM 1612 N PHE A 103 -3.083 -4.836 1.754 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.214 -4.169 2.373 1.00 0.34 C ATOM 1614 C PHE A 103 -4.492 -2.824 1.698 1.00 0.31 C ATOM 1615 O PHE A 103 -5.641 -2.495 1.412 1.00 0.32 O ATOM 1616 CB PHE A 103 -3.925 -4.022 3.871 1.00 0.36 C ATOM 1617 CG PHE A 103 -4.766 -3.007 4.595 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -6.049 -3.311 5.012 1.00 0.67 C ATOM 1619 CD2 PHE A 103 -4.255 -1.747 4.874 1.00 1.03 C ATOM 1620 CE1 PHE A 103 -6.808 -2.378 5.693 1.00 1.09 C ATOM 1621 CE2 PHE A 103 -5.011 -0.812 5.550 1.00 1.48 C ATOM 1622 CZ PHE A 103 -6.289 -1.128 5.961 1.00 1.49 C ATOM 0 H PHE A 103 -2.308 -5.014 2.393 1.00 0.35 H new ATOM 0 HA PHE A 103 -5.119 -4.763 2.246 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -4.066 -4.992 4.348 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -2.876 -3.755 3.997 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -6.462 -4.287 4.804 1.00 0.67 H new ATOM 0 HD2 PHE A 103 -3.253 -1.496 4.558 1.00 1.03 H new ATOM 0 HE1 PHE A 103 -7.808 -2.628 6.016 1.00 1.09 H new ATOM 0 HE2 PHE A 103 -4.603 0.166 5.757 1.00 1.48 H new ATOM 0 HZ PHE A 103 -6.883 -0.398 6.492 1.00 1.49 H new ATOM 1632 N PHE A 104 -3.436 -2.069 1.415 1.00 0.33 N ATOM 1633 CA PHE A 104 -3.572 -0.813 0.681 1.00 0.40 C ATOM 1634 C PHE A 104 -3.981 -1.078 -0.761 1.00 0.39 C ATOM 1635 O PHE A 104 -4.770 -0.336 -1.336 1.00 0.47 O ATOM 1636 CB PHE A 104 -2.263 -0.023 0.681 1.00 0.56 C ATOM 1637 CG PHE A 104 -1.794 0.389 2.040 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -2.624 1.109 2.880 1.00 1.79 C ATOM 1639 CD2 PHE A 104 -0.530 0.044 2.486 1.00 1.47 C ATOM 1640 CE1 PHE A 104 -2.203 1.479 4.138 1.00 2.90 C ATOM 1641 CE2 PHE A 104 -0.105 0.412 3.746 1.00 2.61 C ATOM 1642 CZ PHE A 104 -0.906 1.175 4.546 1.00 3.29 C ATOM 0 H PHE A 104 -2.479 -2.302 1.681 1.00 0.33 H new ATOM 0 HA PHE A 104 -4.342 -0.228 1.184 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -1.488 -0.627 0.209 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -2.390 0.869 0.067 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -3.613 1.384 2.546 1.00 1.79 H new ATOM 0 HD2 PHE A 104 0.130 -0.518 1.842 1.00 1.47 H new ATOM 0 HE1 PHE A 104 -2.874 2.001 4.804 1.00 2.90 H new ATOM 0 HE2 PHE A 104 0.865 0.095 4.101 1.00 2.61 H new ATOM 0 HZ PHE A 104 -0.536 1.542 5.492 1.00 3.29 H new ATOM 1652 N SER A 105 -3.436 -2.144 -1.330 1.00 0.37 N ATOM 1653 CA SER A 105 -3.677 -2.481 -2.725 1.00 0.44 C ATOM 1654 C SER A 105 -5.156 -2.756 -2.975 1.00 0.40 C ATOM 1655 O SER A 105 -5.776 -2.122 -3.829 1.00 0.45 O ATOM 1656 CB SER A 105 -2.834 -3.692 -3.123 1.00 0.50 C ATOM 1657 OG SER A 105 -1.468 -3.494 -2.793 1.00 1.19 O ATOM 0 H SER A 105 -2.820 -2.794 -0.842 1.00 0.37 H new ATOM 0 HA SER A 105 -3.387 -1.629 -3.339 1.00 0.44 H new ATOM 0 HB2 SER A 105 -3.208 -4.582 -2.617 1.00 0.50 H new ATOM 0 HB3 SER A 105 -2.931 -3.870 -4.194 1.00 0.50 H new ATOM 0 HG SER A 105 -1.364 -3.488 -1.819 1.00 1.19 H new ATOM 1663 N PHE A 106 -5.727 -3.681 -2.211 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.129 -4.034 -2.383 1.00 0.37 C ATOM 1665 C PHE A 106 -8.024 -2.914 -1.862 1.00 0.31 C ATOM 1666 O PHE A 106 -9.111 -2.690 -2.376 1.00 0.30 O ATOM 1667 CB PHE A 106 -7.451 -5.348 -1.669 1.00 0.46 C ATOM 1668 CG PHE A 106 -8.771 -5.942 -2.076 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -8.915 -6.580 -3.297 1.00 1.56 C ATOM 1670 CD2 PHE A 106 -9.868 -5.861 -1.234 1.00 1.64 C ATOM 1671 CE1 PHE A 106 -10.128 -7.124 -3.670 1.00 2.46 C ATOM 1672 CE2 PHE A 106 -11.084 -6.405 -1.601 1.00 2.53 C ATOM 1673 CZ PHE A 106 -11.208 -7.044 -2.835 1.00 2.89 C ATOM 0 H PHE A 106 -5.245 -4.195 -1.474 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.319 -4.169 -3.448 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -6.659 -6.068 -1.874 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -7.455 -5.176 -0.593 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -8.069 -6.653 -3.965 1.00 1.56 H new ATOM 0 HD2 PHE A 106 -9.772 -5.366 -0.279 1.00 1.64 H new ATOM 0 HE1 PHE A 106 -10.224 -7.616 -4.627 1.00 2.46 H new ATOM 0 HE2 PHE A 106 -11.933 -6.336 -0.937 1.00 2.53 H new ATOM 0 HZ PHE A 106 -12.154 -7.474 -3.130 1.00 2.89 H new ATOM 1683 N GLY A 107 -7.546 -2.204 -0.850 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.288 -1.080 -0.314 1.00 0.28 C ATOM 1685 C GLY A 107 -8.385 0.054 -1.308 1.00 0.24 C ATOM 1686 O GLY A 107 -9.448 0.651 -1.486 1.00 0.27 O ATOM 0 H GLY A 107 -6.655 -2.387 -0.389 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.290 -1.406 -0.035 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -7.804 -0.725 0.596 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.271 0.348 -1.962 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.270 1.347 -3.002 1.00 0.22 C ATOM 1692 C GLY A 108 -8.065 0.887 -4.202 1.00 0.22 C ATOM 1693 O GLY A 108 -8.642 1.694 -4.933 1.00 0.23 O ATOM 0 H GLY A 108 -6.367 -0.091 -1.788 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -7.691 2.276 -2.618 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.245 1.562 -3.302 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.099 -0.425 -4.393 1.00 0.24 N ATOM 1698 CA ALA A 109 -8.869 -1.026 -5.463 1.00 0.26 C ATOM 1699 C ALA A 109 -10.354 -0.952 -5.148 1.00 0.27 C ATOM 1700 O ALA A 109 -11.174 -0.761 -6.045 1.00 0.31 O ATOM 1701 CB ALA A 109 -8.440 -2.470 -5.677 1.00 0.29 C ATOM 0 H ALA A 109 -7.595 -1.095 -3.812 1.00 0.24 H new ATOM 0 HA ALA A 109 -8.682 -0.471 -6.383 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.027 -2.908 -6.484 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -7.383 -2.500 -5.940 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -8.602 -3.037 -4.761 1.00 0.29 H new ATOM 1707 N LEU A 110 -10.686 -1.063 -3.864 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.073 -1.029 -3.428 1.00 0.28 C ATOM 1709 C LEU A 110 -12.666 0.331 -3.700 1.00 0.24 C ATOM 1710 O LEU A 110 -13.856 0.478 -3.987 1.00 0.24 O ATOM 1711 CB LEU A 110 -12.186 -1.314 -1.948 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.461 -2.049 -1.585 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -13.132 -3.448 -1.116 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -14.258 -1.282 -0.561 1.00 1.12 C ATOM 0 H LEU A 110 -10.010 -1.177 -3.109 1.00 0.25 H new ATOM 0 HA LEU A 110 -12.613 -1.796 -3.983 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.328 -1.907 -1.631 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -12.145 -0.374 -1.398 1.00 0.32 H new ATOM 0 HG LEU A 110 -14.088 -2.130 -2.473 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -14.053 -3.971 -0.857 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -12.620 -3.988 -1.913 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -12.486 -3.395 -0.240 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -15.167 -1.833 -0.320 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.662 -1.153 0.342 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -14.523 -0.304 -0.964 1.00 1.12 H new ATOM 1726 N CYS A 111 -11.820 1.327 -3.560 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.153 2.674 -3.946 1.00 0.19 C ATOM 1728 C CYS A 111 -12.668 2.676 -5.379 1.00 0.20 C ATOM 1729 O CYS A 111 -13.747 3.192 -5.658 1.00 0.26 O ATOM 1730 CB CYS A 111 -10.912 3.539 -3.800 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.121 5.244 -4.324 1.00 0.22 S ATOM 0 H CYS A 111 -10.881 1.223 -3.175 1.00 0.21 H new ATOM 0 HA CYS A 111 -12.939 3.078 -3.307 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -10.600 3.530 -2.756 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.104 3.092 -4.378 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.147 5.965 -3.854 1.00 0.22 H new ATOM 1737 N VAL A 112 -11.917 2.040 -6.276 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.345 1.907 -7.659 1.00 0.22 C ATOM 1739 C VAL A 112 -13.602 1.053 -7.749 1.00 0.22 C ATOM 1740 O VAL A 112 -14.471 1.332 -8.566 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.250 1.309 -8.569 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -11.757 1.151 -9.995 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -10.021 2.192 -8.566 1.00 0.27 C ATOM 0 H VAL A 112 -11.015 1.612 -6.068 1.00 0.20 H new ATOM 0 HA VAL A 112 -12.554 2.916 -8.016 1.00 0.22 H new ATOM 0 HB VAL A 112 -10.989 0.326 -8.177 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -10.968 0.728 -10.617 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -12.621 0.486 -10.003 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -12.046 2.126 -10.388 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.259 1.757 -9.212 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.285 3.184 -8.933 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -9.633 2.272 -7.550 1.00 0.27 H new ATOM 1753 N GLU A 113 -13.705 0.029 -6.902 1.00 0.23 N ATOM 1754 CA GLU A 113 -14.913 -0.792 -6.847 1.00 0.28 C ATOM 1755 C GLU A 113 -16.139 0.084 -6.616 1.00 0.23 C ATOM 1756 O GLU A 113 -17.200 -0.140 -7.201 1.00 0.29 O ATOM 1757 CB GLU A 113 -14.821 -1.874 -5.749 1.00 0.40 C ATOM 1758 CG GLU A 113 -13.833 -2.987 -6.075 1.00 0.53 C ATOM 1759 CD GLU A 113 -13.599 -3.956 -4.936 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -14.450 -4.838 -4.720 1.00 2.34 O ATOM 1761 OE2 GLU A 113 -12.568 -3.814 -4.244 1.00 2.51 O ATOM 0 H GLU A 113 -12.972 -0.250 -6.249 1.00 0.23 H new ATOM 0 HA GLU A 113 -15.008 -1.299 -7.807 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -14.530 -1.404 -4.810 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -15.808 -2.309 -5.595 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -14.198 -3.541 -6.940 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -12.880 -2.541 -6.360 1.00 0.53 H new ATOM 1768 N SER A 114 -15.973 1.109 -5.795 1.00 0.18 N ATOM 1769 CA SER A 114 -17.063 2.007 -5.463 1.00 0.19 C ATOM 1770 C SER A 114 -17.282 2.998 -6.593 1.00 0.22 C ATOM 1771 O SER A 114 -18.410 3.299 -6.963 1.00 0.28 O ATOM 1772 CB SER A 114 -16.743 2.738 -4.165 1.00 0.18 C ATOM 1773 OG SER A 114 -16.448 1.816 -3.130 1.00 0.20 O ATOM 0 H SER A 114 -15.087 1.339 -5.345 1.00 0.18 H new ATOM 0 HA SER A 114 -17.979 1.432 -5.327 1.00 0.19 H new ATOM 0 HB2 SER A 114 -15.894 3.405 -4.317 1.00 0.18 H new ATOM 0 HB3 SER A 114 -17.589 3.360 -3.874 1.00 0.18 H new ATOM 0 HG SER A 114 -15.593 1.376 -3.318 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.189 3.448 -7.175 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.229 4.441 -8.236 1.00 0.27 C ATOM 1781 C VAL A 115 -16.847 3.824 -9.472 1.00 0.28 C ATOM 1782 O VAL A 115 -17.561 4.473 -10.228 1.00 0.31 O ATOM 1783 CB VAL A 115 -14.806 4.933 -8.559 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -14.800 5.914 -9.713 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -14.182 5.552 -7.329 1.00 1.10 C ATOM 0 H VAL A 115 -15.249 3.138 -6.929 1.00 0.21 H new ATOM 0 HA VAL A 115 -16.828 5.291 -7.909 1.00 0.27 H new ATOM 0 HB VAL A 115 -14.213 4.071 -8.865 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -13.778 6.238 -9.910 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -15.206 5.432 -10.602 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -15.412 6.779 -9.458 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -13.176 5.897 -7.566 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -14.787 6.397 -7.000 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -14.132 4.809 -6.533 1.00 1.10 H new ATOM 1795 N ASP A 116 -16.579 2.544 -9.616 1.00 0.28 N ATOM 1796 CA ASP A 116 -17.033 1.745 -10.735 1.00 0.34 C ATOM 1797 C ASP A 116 -18.547 1.806 -10.889 1.00 0.35 C ATOM 1798 O ASP A 116 -19.062 2.079 -11.971 1.00 0.41 O ATOM 1799 CB ASP A 116 -16.596 0.311 -10.488 1.00 0.37 C ATOM 1800 CG ASP A 116 -16.817 -0.593 -11.687 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -16.089 -0.447 -12.691 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -17.701 -1.465 -11.627 1.00 0.60 O ATOM 0 H ASP A 116 -16.025 2.016 -8.941 1.00 0.28 H new ATOM 0 HA ASP A 116 -16.599 2.134 -11.656 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -15.539 0.300 -10.222 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -17.144 -0.088 -9.634 1.00 0.37 H new ATOM 1807 N LYS A 117 -19.252 1.570 -9.790 1.00 0.32 N ATOM 1808 CA LYS A 117 -20.710 1.570 -9.799 1.00 0.35 C ATOM 1809 C LYS A 117 -21.239 2.983 -9.564 1.00 0.34 C ATOM 1810 O LYS A 117 -22.425 3.177 -9.288 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.251 0.634 -8.711 1.00 0.37 C ATOM 1812 CG LYS A 117 -20.306 -0.501 -8.324 1.00 0.36 C ATOM 1813 CD LYS A 117 -19.955 -1.390 -9.498 1.00 0.45 C ATOM 1814 CE LYS A 117 -19.161 -2.604 -9.049 1.00 0.61 C ATOM 1815 NZ LYS A 117 -18.745 -3.449 -10.200 1.00 1.62 N ATOM 0 H LYS A 117 -18.837 1.376 -8.879 1.00 0.32 H new ATOM 0 HA LYS A 117 -21.047 1.217 -10.774 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -21.475 1.223 -7.821 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -22.192 0.205 -9.054 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -19.392 -0.081 -7.905 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -20.768 -1.103 -7.542 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -20.868 -1.714 -9.998 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -19.376 -0.823 -10.227 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -18.278 -2.278 -8.500 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -19.763 -3.198 -8.361 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -18.295 -4.318 -9.848 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -19.580 -3.697 -10.768 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -18.069 -2.923 -10.790 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.341 3.957 -9.678 1.00 0.31 N ATOM 1830 CA GLU A 118 -20.658 5.363 -9.464 1.00 0.33 C ATOM 1831 C GLU A 118 -21.081 5.626 -8.030 1.00 0.31 C ATOM 1832 O GLU A 118 -22.123 6.221 -7.760 1.00 0.38 O ATOM 1833 CB GLU A 118 -21.710 5.845 -10.443 1.00 0.40 C ATOM 1834 CG GLU A 118 -21.168 5.922 -11.846 1.00 0.49 C ATOM 1835 CD GLU A 118 -20.056 6.928 -11.989 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -20.355 8.122 -12.202 1.00 1.07 O ATOM 1837 OE2 GLU A 118 -18.878 6.536 -11.880 1.00 1.88 O ATOM 0 H GLU A 118 -19.365 3.790 -9.924 1.00 0.31 H new ATOM 0 HA GLU A 118 -19.748 5.934 -9.647 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -22.566 5.170 -10.420 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -22.070 6.827 -10.137 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -20.803 4.939 -12.144 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -21.977 6.182 -12.529 1.00 0.49 H new ATOM 1844 N MET A 119 -20.245 5.175 -7.117 1.00 0.26 N ATOM 1845 CA MET A 119 -20.468 5.335 -5.692 1.00 0.26 C ATOM 1846 C MET A 119 -19.194 5.888 -5.084 1.00 0.25 C ATOM 1847 O MET A 119 -18.683 5.390 -4.085 1.00 0.23 O ATOM 1848 CB MET A 119 -20.813 3.986 -5.061 1.00 0.25 C ATOM 1849 CG MET A 119 -21.987 3.291 -5.723 1.00 0.28 C ATOM 1850 SD MET A 119 -22.191 1.604 -5.136 1.00 0.31 S ATOM 1851 CE MET A 119 -20.515 1.003 -5.325 1.00 0.29 C ATOM 0 H MET A 119 -19.382 4.682 -7.345 1.00 0.26 H new ATOM 0 HA MET A 119 -21.300 6.015 -5.510 1.00 0.26 H new ATOM 0 HB2 MET A 119 -19.940 3.336 -5.113 1.00 0.25 H new ATOM 0 HB3 MET A 119 -21.038 4.135 -4.005 1.00 0.25 H new ATOM 0 HG2 MET A 119 -22.899 3.855 -5.528 1.00 0.28 H new ATOM 0 HG3 MET A 119 -21.842 3.284 -6.803 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.534 -0.064 -5.548 1.00 0.29 H new ATOM 0 HE2 MET A 119 -20.027 1.535 -6.142 1.00 0.29 H new ATOM 0 HE3 MET A 119 -19.962 1.171 -4.401 1.00 0.29 H new ATOM 1861 N GLN A 120 -18.683 6.923 -5.720 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.405 7.508 -5.379 1.00 0.31 C ATOM 1863 C GLN A 120 -17.398 8.117 -3.972 1.00 0.32 C ATOM 1864 O GLN A 120 -16.355 8.518 -3.470 1.00 0.33 O ATOM 1865 CB GLN A 120 -17.064 8.558 -6.418 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.377 8.113 -7.837 1.00 0.36 C ATOM 1867 CD GLN A 120 -18.673 8.700 -8.364 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -19.274 8.043 -9.345 1.00 1.15 O flip ATOM 1869 NE2 GLN A 120 -19.111 9.757 -7.919 1.00 0.55 N flip ATOM 0 H GLN A 120 -19.151 7.387 -6.499 1.00 0.31 H new ATOM 0 HA GLN A 120 -16.652 6.720 -5.375 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -17.618 9.471 -6.199 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -16.004 8.803 -6.345 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -16.558 8.405 -8.494 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -17.437 7.025 -7.867 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -18.620 10.234 -7.163 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -19.966 10.158 -8.305 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.560 8.184 -3.342 1.00 0.32 N ATOM 1879 CA VAL A 121 -18.660 8.668 -1.968 1.00 0.35 C ATOM 1880 C VAL A 121 -17.927 7.742 -0.989 1.00 0.31 C ATOM 1881 O VAL A 121 -17.585 8.144 0.123 1.00 0.36 O ATOM 1882 CB VAL A 121 -20.128 8.802 -1.522 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -20.848 9.863 -2.340 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -20.834 7.461 -1.640 1.00 0.38 C ATOM 0 H VAL A 121 -19.450 7.910 -3.758 1.00 0.32 H new ATOM 0 HA VAL A 121 -18.189 9.651 -1.953 1.00 0.35 H new ATOM 0 HB VAL A 121 -20.146 9.115 -0.478 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -21.883 9.939 -2.007 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -20.352 10.824 -2.206 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -20.826 9.587 -3.394 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -21.871 7.567 -1.322 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -20.804 7.124 -2.676 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.333 6.729 -1.006 1.00 0.38 H new ATOM 1894 N LEU A 122 -17.685 6.504 -1.412 1.00 0.24 N ATOM 1895 CA LEU A 122 -16.968 5.536 -0.586 1.00 0.21 C ATOM 1896 C LEU A 122 -15.480 5.788 -0.662 1.00 0.19 C ATOM 1897 O LEU A 122 -14.747 5.411 0.236 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.252 4.091 -1.017 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.628 3.529 -0.656 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -18.955 3.821 0.797 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.701 4.079 -1.579 1.00 0.22 C ATOM 0 H LEU A 122 -17.975 6.147 -2.322 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.320 5.664 0.437 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.131 4.027 -2.098 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.493 3.447 -0.573 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.602 2.447 -0.789 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -19.937 3.415 1.038 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.204 3.360 1.439 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -18.959 4.899 0.960 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.669 3.663 -1.300 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -19.734 5.165 -1.492 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.471 3.804 -2.608 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.050 6.413 -1.746 1.00 0.19 N ATOM 1914 CA VAL A 123 -13.639 6.713 -1.967 1.00 0.20 C ATOM 1915 C VAL A 123 -12.988 7.325 -0.730 1.00 0.22 C ATOM 1916 O VAL A 123 -12.005 6.795 -0.208 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.488 7.663 -3.165 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.067 8.185 -3.301 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -13.920 6.942 -4.427 1.00 0.23 C ATOM 0 H VAL A 123 -15.665 6.727 -2.497 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.129 5.773 -2.178 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.126 8.531 -3.001 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -12.005 8.853 -4.160 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -11.791 8.730 -2.398 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.384 7.348 -3.442 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -13.816 7.610 -5.282 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.294 6.062 -4.576 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -14.961 6.635 -4.332 1.00 0.23 H new ATOM 1929 N SER A 124 -13.542 8.427 -0.252 1.00 0.24 N ATOM 1930 CA SER A 124 -12.981 9.096 0.909 1.00 0.28 C ATOM 1931 C SER A 124 -13.232 8.267 2.172 1.00 0.27 C ATOM 1932 O SER A 124 -12.434 8.289 3.111 1.00 0.33 O ATOM 1933 CB SER A 124 -13.568 10.502 1.052 1.00 0.36 C ATOM 1934 OG SER A 124 -12.773 11.305 1.909 1.00 1.35 O ATOM 0 H SER A 124 -14.371 8.873 -0.645 1.00 0.24 H new ATOM 0 HA SER A 124 -11.904 9.192 0.772 1.00 0.28 H new ATOM 0 HB2 SER A 124 -13.638 10.971 0.071 1.00 0.36 H new ATOM 0 HB3 SER A 124 -14.582 10.437 1.447 1.00 0.36 H new ATOM 0 HG SER A 124 -13.036 11.149 2.840 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.335 7.515 2.176 1.00 0.23 N ATOM 1941 CA ARG A 125 -14.679 6.656 3.305 1.00 0.23 C ATOM 1942 C ARG A 125 -13.654 5.547 3.473 1.00 0.21 C ATOM 1943 O ARG A 125 -13.038 5.414 4.525 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.052 6.016 3.113 1.00 0.28 C ATOM 1945 CG ARG A 125 -17.201 6.999 3.122 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.527 6.292 3.331 1.00 0.55 C ATOM 1947 NE ARG A 125 -18.503 5.393 4.486 1.00 1.44 N ATOM 1948 CZ ARG A 125 -19.585 5.062 5.194 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -20.771 5.573 4.885 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -19.482 4.217 6.216 1.00 2.67 N ATOM 0 H ARG A 125 -15.005 7.486 1.407 1.00 0.23 H new ATOM 0 HA ARG A 125 -14.691 7.287 4.193 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.059 5.475 2.167 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -16.211 5.281 3.902 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -17.049 7.733 3.913 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -17.222 7.546 2.179 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -19.314 7.034 3.468 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -18.777 5.723 2.436 1.00 0.55 H new ATOM 0 HE ARG A 125 -17.606 4.996 4.766 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -20.859 6.222 4.103 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -21.594 5.316 5.430 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -18.575 3.820 6.460 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -20.310 3.966 6.755 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.495 4.752 2.426 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.564 3.635 2.427 1.00 0.19 C ATOM 1966 C ILE A 126 -11.192 4.083 2.910 1.00 0.20 C ATOM 1967 O ILE A 126 -10.628 3.480 3.813 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.456 3.013 1.018 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -13.842 2.537 0.564 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.462 1.858 1.014 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -13.925 2.136 -0.891 1.00 0.18 C ATOM 0 H ILE A 126 -14.008 4.863 1.552 1.00 0.19 H new ATOM 0 HA ILE A 126 -12.945 2.877 3.112 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.092 3.768 0.321 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.139 1.687 1.179 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.564 3.333 0.750 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.401 1.434 0.012 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.480 2.222 1.314 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -11.793 1.090 1.713 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -14.940 1.814 -1.122 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.663 2.988 -1.519 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.232 1.317 -1.083 1.00 0.18 H new ATOM 1983 N ALA A 127 -10.680 5.165 2.338 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.377 5.690 2.732 1.00 0.24 C ATOM 1985 C ALA A 127 -9.344 6.053 4.217 1.00 0.24 C ATOM 1986 O ALA A 127 -8.327 5.868 4.888 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.015 6.897 1.888 1.00 0.27 C ATOM 0 H ALA A 127 -11.145 5.696 1.601 1.00 0.21 H new ATOM 0 HA ALA A 127 -8.640 4.905 2.563 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.040 7.276 2.195 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -8.978 6.609 0.838 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -9.766 7.675 2.024 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.456 6.567 4.723 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.574 6.912 6.136 1.00 0.22 C ATOM 1995 C ALA A 128 -10.494 5.672 7.005 1.00 0.23 C ATOM 1996 O ALA A 128 -9.651 5.565 7.900 1.00 0.28 O ATOM 1997 CB ALA A 128 -11.894 7.611 6.397 1.00 0.23 C ATOM 0 H ALA A 128 -11.295 6.756 4.174 1.00 0.21 H new ATOM 0 HA ALA A 128 -9.748 7.577 6.386 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -11.969 7.863 7.455 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -11.947 8.523 5.802 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -12.716 6.950 6.122 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.389 4.742 6.727 1.00 0.25 N ATOM 2004 CA TRP A 129 -11.506 3.518 7.495 1.00 0.35 C ATOM 2005 C TRP A 129 -10.246 2.659 7.362 1.00 0.25 C ATOM 2006 O TRP A 129 -9.827 2.011 8.320 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.744 2.746 7.036 1.00 0.56 C ATOM 2008 CG TRP A 129 -14.044 3.428 7.357 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.724 4.312 6.569 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -14.826 3.277 8.548 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -15.873 4.724 7.195 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -15.959 4.103 8.413 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -14.677 2.526 9.717 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -16.936 4.195 9.401 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -15.648 2.619 10.696 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -16.765 3.448 10.533 1.00 3.91 C ATOM 0 H TRP A 129 -12.057 4.815 5.960 1.00 0.25 H new ATOM 0 HA TRP A 129 -11.615 3.773 8.549 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -12.684 2.590 5.959 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -12.738 1.760 7.501 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -14.403 4.640 5.592 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -16.552 5.384 6.816 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -13.819 1.885 9.853 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -17.798 4.834 9.277 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -15.544 2.042 11.603 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -17.506 3.498 11.317 1.00 3.91 H new ATOM 2027 N MET A 130 -9.631 2.681 6.181 1.00 0.24 N ATOM 2028 CA MET A 130 -8.393 1.942 5.942 1.00 0.26 C ATOM 2029 C MET A 130 -7.270 2.474 6.814 1.00 0.25 C ATOM 2030 O MET A 130 -6.590 1.716 7.508 1.00 0.29 O ATOM 2031 CB MET A 130 -7.993 2.029 4.476 1.00 0.31 C ATOM 2032 CG MET A 130 -8.809 1.125 3.577 1.00 0.29 C ATOM 2033 SD MET A 130 -7.820 -0.183 2.846 1.00 1.08 S ATOM 2034 CE MET A 130 -6.632 0.797 1.941 1.00 0.31 C ATOM 0 H MET A 130 -9.971 3.204 5.373 1.00 0.24 H new ATOM 0 HA MET A 130 -8.571 0.898 6.199 1.00 0.26 H new ATOM 0 HB2 MET A 130 -8.101 3.060 4.138 1.00 0.31 H new ATOM 0 HB3 MET A 130 -6.939 1.771 4.379 1.00 0.31 H new ATOM 0 HG2 MET A 130 -9.623 0.684 4.152 1.00 0.29 H new ATOM 0 HG3 MET A 130 -9.264 1.719 2.785 1.00 0.29 H new ATOM 0 HE1 MET A 130 -6.239 0.214 1.108 1.00 0.31 H new ATOM 0 HE2 MET A 130 -7.117 1.695 1.559 1.00 0.31 H new ATOM 0 HE3 MET A 130 -5.814 1.080 2.603 1.00 0.31 H new ATOM 2044 N ALA A 131 -7.087 3.786 6.784 1.00 0.24 N ATOM 2045 CA ALA A 131 -6.057 4.423 7.586 1.00 0.24 C ATOM 2046 C ALA A 131 -6.338 4.227 9.063 1.00 0.24 C ATOM 2047 O ALA A 131 -5.418 4.073 9.863 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.954 5.898 7.255 1.00 0.25 C ATOM 0 H ALA A 131 -7.638 4.428 6.214 1.00 0.24 H new ATOM 0 HA ALA A 131 -5.102 3.954 7.351 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -5.177 6.355 7.867 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.703 6.018 6.201 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -6.908 6.384 7.458 1.00 0.25 H new ATOM 2054 N THR A 132 -7.613 4.222 9.419 1.00 0.26 N ATOM 2055 CA THR A 132 -8.008 3.984 10.793 1.00 0.29 C ATOM 2056 C THR A 132 -7.628 2.576 11.233 1.00 0.30 C ATOM 2057 O THR A 132 -7.061 2.388 12.305 1.00 0.32 O ATOM 2058 CB THR A 132 -9.514 4.171 11.000 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.909 5.490 10.586 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.854 3.950 12.465 1.00 0.40 C ATOM 0 H THR A 132 -8.388 4.380 8.775 1.00 0.26 H new ATOM 0 HA THR A 132 -7.476 4.719 11.397 1.00 0.29 H new ATOM 0 HB THR A 132 -10.056 3.444 10.395 1.00 0.32 H new ATOM 0 HG1 THR A 132 -10.014 5.509 9.612 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.926 4.083 12.614 1.00 0.40 H new ATOM 0 HG22 THR A 132 -9.570 2.939 12.756 1.00 0.40 H new ATOM 0 HG23 THR A 132 -9.311 4.670 13.077 1.00 0.40 H new ATOM 2068 N TYR A 133 -7.957 1.587 10.411 1.00 0.30 N ATOM 2069 CA TYR A 133 -7.605 0.208 10.715 1.00 0.32 C ATOM 2070 C TYR A 133 -6.097 0.082 10.906 1.00 0.32 C ATOM 2071 O TYR A 133 -5.631 -0.639 11.789 1.00 0.37 O ATOM 2072 CB TYR A 133 -8.081 -0.744 9.617 1.00 0.33 C ATOM 2073 CG TYR A 133 -7.930 -2.197 10.002 1.00 0.93 C ATOM 2074 CD1 TYR A 133 -6.759 -2.895 9.726 1.00 1.72 C ATOM 2075 CD2 TYR A 133 -8.951 -2.865 10.661 1.00 1.29 C ATOM 2076 CE1 TYR A 133 -6.613 -4.216 10.101 1.00 2.40 C ATOM 2077 CE2 TYR A 133 -8.814 -4.186 11.035 1.00 1.93 C ATOM 2078 CZ TYR A 133 -7.645 -4.857 10.754 1.00 2.40 C ATOM 2079 OH TYR A 133 -7.501 -6.168 11.137 1.00 3.13 O ATOM 0 H TYR A 133 -8.464 1.714 9.535 1.00 0.30 H new ATOM 0 HA TYR A 133 -8.108 -0.072 11.641 1.00 0.32 H new ATOM 0 HB2 TYR A 133 -9.127 -0.539 9.392 1.00 0.33 H new ATOM 0 HB3 TYR A 133 -7.515 -0.553 8.705 1.00 0.33 H new ATOM 0 HD1 TYR A 133 -5.952 -2.396 9.211 1.00 1.72 H new ATOM 0 HD2 TYR A 133 -9.869 -2.342 10.885 1.00 1.29 H new ATOM 0 HE1 TYR A 133 -5.696 -4.744 9.884 1.00 2.40 H new ATOM 0 HE2 TYR A 133 -9.620 -4.691 11.546 1.00 1.93 H new ATOM 0 HH TYR A 133 -6.731 -6.561 10.675 1.00 3.13 H new ATOM 2089 N LEU A 134 -5.334 0.789 10.078 1.00 0.29 N ATOM 2090 CA LEU A 134 -3.894 0.852 10.257 1.00 0.30 C ATOM 2091 C LEU A 134 -3.597 1.470 11.620 1.00 0.32 C ATOM 2092 O LEU A 134 -2.876 0.890 12.426 1.00 0.35 O ATOM 2093 CB LEU A 134 -3.237 1.667 9.128 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.715 1.502 8.969 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -1.242 2.136 7.671 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -0.966 2.114 10.143 1.00 0.88 C ATOM 0 H LEU A 134 -5.689 1.321 9.283 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.476 -0.154 10.215 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -3.712 1.392 8.186 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.452 2.722 9.297 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.501 0.433 8.945 1.00 0.48 H new ATOM 0 HD11 LEU A 134 -0.164 2.009 7.576 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -1.739 1.655 6.829 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -1.483 3.199 7.676 1.00 0.95 H new ATOM 0 HD21 LEU A 134 0.106 1.981 10.000 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -1.194 3.178 10.205 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -1.273 1.623 11.066 1.00 0.88 H new ATOM 2108 N ASN A 135 -4.194 2.628 11.870 1.00 0.31 N ATOM 2109 CA ASN A 135 -4.030 3.351 13.134 1.00 0.35 C ATOM 2110 C ASN A 135 -4.278 2.455 14.341 1.00 0.38 C ATOM 2111 O ASN A 135 -3.474 2.415 15.273 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.993 4.541 13.192 1.00 0.36 C ATOM 2113 CG ASN A 135 -4.375 5.836 12.718 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -3.804 6.590 13.505 1.00 0.46 O ATOM 2115 ND2 ASN A 135 -4.475 6.102 11.430 1.00 0.34 N ATOM 0 H ASN A 135 -4.808 3.097 11.204 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.998 3.699 13.171 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.869 4.320 12.582 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -5.342 4.667 14.217 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -4.071 6.959 11.053 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -4.957 5.450 10.811 1.00 0.34 H new ATOM 2122 N ASP A 136 -5.388 1.732 14.319 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.795 0.942 15.463 1.00 0.42 C ATOM 2124 C ASP A 136 -5.034 -0.373 15.531 1.00 0.40 C ATOM 2125 O ASP A 136 -4.417 -0.697 16.545 1.00 0.43 O ATOM 2126 CB ASP A 136 -7.302 0.679 15.394 1.00 0.45 C ATOM 2127 CG ASP A 136 -7.785 -0.247 16.489 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -7.870 0.192 17.656 1.00 0.59 O ATOM 2129 OD2 ASP A 136 -8.070 -1.423 16.190 1.00 0.58 O ATOM 0 H ASP A 136 -6.020 1.678 13.520 1.00 0.38 H new ATOM 0 HA ASP A 136 -5.563 1.504 16.368 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -7.835 1.627 15.464 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -7.547 0.246 14.424 1.00 0.45 H new ATOM 2134 N HIS A 137 -5.066 -1.116 14.443 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.568 -2.479 14.443 1.00 0.38 C ATOM 2136 C HIS A 137 -3.102 -2.575 14.048 1.00 0.35 C ATOM 2137 O HIS A 137 -2.300 -3.192 14.747 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.388 -3.312 13.469 1.00 0.40 C ATOM 2139 CG HIS A 137 -5.815 -4.635 14.026 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -7.129 -4.954 14.286 1.00 1.18 N ATOM 2141 CD2 HIS A 137 -5.090 -5.727 14.369 1.00 1.45 C ATOM 2142 CE1 HIS A 137 -7.196 -6.183 14.765 1.00 1.13 C ATOM 2143 NE2 HIS A 137 -5.972 -6.673 14.824 1.00 1.34 N ATOM 0 H HIS A 137 -5.432 -0.799 13.545 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.660 -2.852 15.463 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -6.273 -2.747 13.176 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -4.803 -3.479 12.565 1.00 0.40 H new ATOM 0 HD2 HIS A 137 -4.018 -5.833 14.297 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -8.098 -6.699 15.058 1.00 1.13 H new ATOM 0 HE2 HIS A 137 -5.722 -7.605 15.155 1.00 1.34 H new ATOM 2152 N LEU A 138 -2.759 -1.961 12.930 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.506 -2.261 12.254 1.00 0.29 C ATOM 2154 C LEU A 138 -0.343 -1.444 12.778 1.00 0.27 C ATOM 2155 O LEU A 138 0.784 -1.919 12.780 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.679 -2.025 10.758 1.00 0.30 C ATOM 2157 CG LEU A 138 -2.915 -2.694 10.168 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -3.037 -2.376 8.694 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.867 -4.193 10.405 1.00 1.20 C ATOM 0 H LEU A 138 -3.329 -1.251 12.470 1.00 0.32 H new ATOM 0 HA LEU A 138 -1.266 -3.306 12.452 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -1.735 -0.952 10.573 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -0.795 -2.393 10.237 1.00 0.30 H new ATOM 0 HG LEU A 138 -3.800 -2.301 10.669 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -3.925 -2.862 8.289 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -3.121 -1.297 8.560 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -2.154 -2.739 8.169 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -3.756 -4.657 9.978 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -1.978 -4.608 9.931 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -2.833 -4.391 11.476 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.618 -0.229 13.221 1.00 0.30 N ATOM 2172 CA GLU A 139 0.433 0.704 13.618 1.00 0.31 C ATOM 2173 C GLU A 139 1.415 0.081 14.623 1.00 0.30 C ATOM 2174 O GLU A 139 2.622 0.123 14.390 1.00 0.30 O ATOM 2175 CB GLU A 139 -0.170 1.994 14.170 1.00 0.38 C ATOM 2176 CG GLU A 139 0.824 3.137 14.258 1.00 0.40 C ATOM 2177 CD GLU A 139 0.217 4.371 14.884 1.00 0.49 C ATOM 2178 OE1 GLU A 139 0.016 4.377 16.120 1.00 0.61 O ATOM 2179 OE2 GLU A 139 -0.073 5.332 14.149 1.00 0.75 O ATOM 0 H GLU A 139 -1.564 0.140 13.317 1.00 0.30 H new ATOM 0 HA GLU A 139 1.006 0.944 12.722 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -1.004 2.296 13.537 1.00 0.38 H new ATOM 0 HB3 GLU A 139 -0.577 1.800 15.162 1.00 0.38 H new ATOM 0 HG2 GLU A 139 1.688 2.822 14.843 1.00 0.40 H new ATOM 0 HG3 GLU A 139 1.187 3.379 13.259 1.00 0.40 H new ATOM 2186 N PRO A 140 0.941 -0.515 15.744 1.00 0.32 N ATOM 2187 CA PRO A 140 1.834 -1.192 16.692 1.00 0.34 C ATOM 2188 C PRO A 140 2.602 -2.330 16.027 1.00 0.32 C ATOM 2189 O PRO A 140 3.817 -2.446 16.186 1.00 0.34 O ATOM 2190 CB PRO A 140 0.891 -1.744 17.765 1.00 0.40 C ATOM 2191 CG PRO A 140 -0.356 -0.943 17.637 1.00 0.56 C ATOM 2192 CD PRO A 140 -0.466 -0.575 16.187 1.00 0.36 C ATOM 0 HA PRO A 140 2.590 -0.516 17.092 1.00 0.34 H new ATOM 0 HB2 PRO A 140 0.695 -2.805 17.609 1.00 0.40 H new ATOM 0 HB3 PRO A 140 1.324 -1.642 18.760 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -1.224 -1.518 17.960 1.00 0.56 H new ATOM 0 HG3 PRO A 140 -0.313 -0.052 18.263 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -1.033 -1.317 15.626 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -0.971 0.381 16.052 1.00 0.36 H new ATOM 2200 N TRP A 141 1.877 -3.149 15.270 1.00 0.31 N ATOM 2201 CA TRP A 141 2.453 -4.266 14.519 1.00 0.32 C ATOM 2202 C TRP A 141 3.601 -3.777 13.639 1.00 0.31 C ATOM 2203 O TRP A 141 4.710 -4.297 13.699 1.00 0.36 O ATOM 2204 CB TRP A 141 1.362 -4.889 13.645 1.00 0.35 C ATOM 2205 CG TRP A 141 1.390 -6.381 13.592 1.00 0.36 C ATOM 2206 CD1 TRP A 141 2.421 -7.173 13.186 1.00 0.43 C ATOM 2207 CD2 TRP A 141 0.315 -7.262 13.935 1.00 0.63 C ATOM 2208 NE1 TRP A 141 2.056 -8.493 13.260 1.00 0.60 N ATOM 2209 CE2 TRP A 141 0.769 -8.575 13.719 1.00 0.70 C ATOM 2210 CE3 TRP A 141 -0.985 -7.067 14.406 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 -0.034 -9.688 13.959 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 -1.780 -8.171 14.643 1.00 1.19 C ATOM 2213 CH2 TRP A 141 -1.303 -9.467 14.419 1.00 1.20 C ATOM 0 H TRP A 141 0.867 -3.058 15.158 1.00 0.31 H new ATOM 0 HA TRP A 141 2.842 -5.008 15.216 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.389 -4.569 14.017 1.00 0.35 H new ATOM 0 HB3 TRP A 141 1.459 -4.500 12.631 1.00 0.35 H new ATOM 0 HD1 TRP A 141 3.384 -6.814 12.855 1.00 0.43 H new ATOM 0 HE1 TRP A 141 2.648 -9.286 13.013 1.00 0.60 H new ATOM 0 HE3 TRP A 141 -1.362 -6.070 14.582 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 0.332 -10.689 13.788 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -2.787 -8.032 15.007 1.00 1.19 H new ATOM 0 HH2 TRP A 141 -1.950 -10.310 14.613 1.00 1.20 H new ATOM 2224 N ILE A 142 3.311 -2.769 12.836 1.00 0.26 N ATOM 2225 CA ILE A 142 4.304 -2.097 12.002 1.00 0.26 C ATOM 2226 C ILE A 142 5.566 -1.758 12.791 1.00 0.29 C ATOM 2227 O ILE A 142 6.674 -2.100 12.381 1.00 0.32 O ATOM 2228 CB ILE A 142 3.688 -0.804 11.438 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.625 -1.157 10.410 1.00 0.28 C ATOM 2230 CG2 ILE A 142 4.748 0.105 10.843 1.00 0.28 C ATOM 2231 CD1 ILE A 142 1.607 -0.068 10.196 1.00 0.26 C ATOM 0 H ILE A 142 2.370 -2.386 12.740 1.00 0.26 H new ATOM 0 HA ILE A 142 4.588 -2.771 11.194 1.00 0.26 H new ATOM 0 HB ILE A 142 3.223 -0.253 12.255 1.00 0.25 H new ATOM 0 HG12 ILE A 142 3.110 -1.381 9.460 1.00 0.28 H new ATOM 0 HG13 ILE A 142 2.112 -2.065 10.727 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.277 1.008 10.455 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.470 0.375 11.614 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.260 -0.414 10.033 1.00 0.28 H new ATOM 0 HD11 ILE A 142 0.881 -0.390 9.450 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.094 0.140 11.135 1.00 0.26 H new ATOM 0 HD13 ILE A 142 2.108 0.835 9.848 1.00 0.26 H new ATOM 2243 N GLN A 143 5.387 -1.083 13.914 1.00 0.30 N ATOM 2244 CA GLN A 143 6.507 -0.659 14.746 1.00 0.35 C ATOM 2245 C GLN A 143 7.334 -1.853 15.233 1.00 0.39 C ATOM 2246 O GLN A 143 8.550 -1.746 15.391 1.00 0.43 O ATOM 2247 CB GLN A 143 6.003 0.148 15.933 1.00 0.41 C ATOM 2248 CG GLN A 143 5.134 1.328 15.530 1.00 0.43 C ATOM 2249 CD GLN A 143 5.836 2.299 14.602 1.00 0.48 C ATOM 2250 OE1 GLN A 143 7.057 2.448 14.636 1.00 0.57 O ATOM 2251 NE2 GLN A 143 5.059 2.967 13.765 1.00 0.52 N ATOM 0 H GLN A 143 4.472 -0.814 14.275 1.00 0.30 H new ATOM 0 HA GLN A 143 7.156 -0.033 14.134 1.00 0.35 H new ATOM 0 HB2 GLN A 143 5.433 -0.506 16.593 1.00 0.41 H new ATOM 0 HB3 GLN A 143 6.856 0.512 16.505 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.233 0.957 15.042 1.00 0.43 H new ATOM 0 HG3 GLN A 143 4.815 1.859 16.427 1.00 0.43 H new ATOM 0 HE21 GLN A 143 4.051 2.812 13.771 1.00 0.52 H new ATOM 0 HE22 GLN A 143 5.468 3.637 13.114 1.00 0.52 H new ATOM 2260 N GLU A 144 6.671 -2.993 15.444 1.00 0.40 N ATOM 2261 CA GLU A 144 7.344 -4.222 15.859 1.00 0.47 C ATOM 2262 C GLU A 144 8.298 -4.708 14.775 1.00 0.48 C ATOM 2263 O GLU A 144 9.233 -5.463 15.034 1.00 0.55 O ATOM 2264 CB GLU A 144 6.297 -5.300 16.126 1.00 0.51 C ATOM 2265 CG GLU A 144 5.268 -4.903 17.156 1.00 0.52 C ATOM 2266 CD GLU A 144 5.785 -4.998 18.574 1.00 0.61 C ATOM 2267 OE1 GLU A 144 5.843 -6.121 19.115 1.00 0.78 O ATOM 2268 OE2 GLU A 144 6.141 -3.953 19.154 1.00 0.67 O ATOM 0 H GLU A 144 5.662 -3.088 15.333 1.00 0.40 H new ATOM 0 HA GLU A 144 7.918 -4.019 16.763 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.789 -5.541 15.192 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.800 -6.208 16.459 1.00 0.51 H new ATOM 0 HG2 GLU A 144 4.943 -3.881 16.961 1.00 0.52 H new ATOM 0 HG3 GLU A 144 4.391 -5.542 17.051 1.00 0.52 H new ATOM 2275 N ASN A 145 8.047 -4.256 13.562 1.00 0.44 N ATOM 2276 CA ASN A 145 8.767 -4.720 12.388 1.00 0.48 C ATOM 2277 C ASN A 145 9.625 -3.608 11.807 1.00 0.47 C ATOM 2278 O ASN A 145 10.220 -3.750 10.740 1.00 0.57 O ATOM 2279 CB ASN A 145 7.758 -5.231 11.364 1.00 0.49 C ATOM 2280 CG ASN A 145 7.070 -6.489 11.852 1.00 0.58 C ATOM 2281 OD1 ASN A 145 7.455 -7.605 11.500 1.00 0.93 O ATOM 2282 ND2 ASN A 145 6.065 -6.314 12.695 1.00 0.54 N ATOM 0 H ASN A 145 7.335 -3.554 13.360 1.00 0.44 H new ATOM 0 HA ASN A 145 9.439 -5.532 12.667 1.00 0.48 H new ATOM 0 HB2 ASN A 145 7.014 -4.460 11.167 1.00 0.49 H new ATOM 0 HB3 ASN A 145 8.265 -5.433 10.420 1.00 0.49 H new ATOM 0 HD21 ASN A 145 5.576 -7.122 13.080 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.779 -5.371 12.959 1.00 0.54 H new ATOM 2289 N GLY A 146 9.673 -2.495 12.519 1.00 0.42 N ATOM 2290 CA GLY A 146 10.552 -1.414 12.147 1.00 0.45 C ATOM 2291 C GLY A 146 9.813 -0.137 11.810 1.00 0.44 C ATOM 2292 O GLY A 146 10.177 0.942 12.278 1.00 0.56 O ATOM 0 H GLY A 146 9.113 -2.322 13.354 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.246 -1.220 12.965 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.149 -1.719 11.288 1.00 0.45 H new ATOM 2296 N GLY A 147 8.771 -0.251 11.006 1.00 0.36 N ATOM 2297 CA GLY A 147 8.023 0.922 10.609 1.00 0.36 C ATOM 2298 C GLY A 147 7.759 0.963 9.120 1.00 0.38 C ATOM 2299 O GLY A 147 8.043 0.000 8.407 1.00 0.49 O ATOM 0 H GLY A 147 8.429 -1.132 10.621 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.074 0.942 11.144 1.00 0.36 H new ATOM 0 HA3 GLY A 147 8.573 1.816 10.902 1.00 0.36 H new ATOM 2303 N TRP A 148 7.231 2.084 8.652 1.00 0.35 N ATOM 2304 CA TRP A 148 6.885 2.252 7.250 1.00 0.37 C ATOM 2305 C TRP A 148 8.122 2.582 6.435 1.00 0.38 C ATOM 2306 O TRP A 148 8.347 2.013 5.367 1.00 0.40 O ATOM 2307 CB TRP A 148 5.872 3.378 7.092 1.00 0.39 C ATOM 2308 CG TRP A 148 4.586 3.143 7.809 1.00 0.46 C ATOM 2309 CD1 TRP A 148 3.538 2.390 7.376 1.00 0.79 C ATOM 2310 CD2 TRP A 148 4.204 3.677 9.081 1.00 1.45 C ATOM 2311 NE1 TRP A 148 2.520 2.430 8.293 1.00 0.52 N ATOM 2312 CE2 TRP A 148 2.907 3.210 9.354 1.00 1.25 C ATOM 2313 CE3 TRP A 148 4.834 4.506 10.013 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 2.227 3.545 10.522 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 4.159 4.835 11.173 1.00 3.57 C ATOM 2316 CH2 TRP A 148 2.868 4.356 11.418 1.00 3.32 C ATOM 0 H TRP A 148 7.031 2.899 9.231 1.00 0.35 H new ATOM 0 HA TRP A 148 6.454 1.318 6.891 1.00 0.37 H new ATOM 0 HB2 TRP A 148 6.315 4.305 7.456 1.00 0.39 H new ATOM 0 HB3 TRP A 148 5.664 3.519 6.031 1.00 0.39 H new ATOM 0 HD1 TRP A 148 3.512 1.841 6.446 1.00 0.79 H new ATOM 0 HE1 TRP A 148 1.621 1.957 8.202 1.00 0.52 H new ATOM 0 HE3 TRP A 148 5.830 4.882 9.830 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 1.230 3.178 10.714 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 4.636 5.473 11.903 1.00 3.57 H new ATOM 0 HH2 TRP A 148 2.367 4.632 12.334 1.00 3.32 H new ATOM 2327 N ASP A 149 8.916 3.511 6.955 1.00 0.42 N ATOM 2328 CA ASP A 149 10.146 3.937 6.297 1.00 0.47 C ATOM 2329 C ASP A 149 11.052 2.743 6.067 1.00 0.47 C ATOM 2330 O ASP A 149 11.698 2.623 5.028 1.00 0.52 O ATOM 2331 CB ASP A 149 10.866 4.980 7.151 1.00 0.56 C ATOM 2332 CG ASP A 149 12.179 5.433 6.545 1.00 1.23 C ATOM 2333 OD1 ASP A 149 12.161 6.371 5.719 1.00 1.72 O ATOM 2334 OD2 ASP A 149 13.229 4.841 6.877 1.00 1.96 O ATOM 0 H ASP A 149 8.728 3.987 7.837 1.00 0.42 H new ATOM 0 HA ASP A 149 9.893 4.382 5.335 1.00 0.47 H new ATOM 0 HB2 ASP A 149 10.216 5.845 7.285 1.00 0.56 H new ATOM 0 HB3 ASP A 149 11.053 4.565 8.142 1.00 0.56 H new ATOM 2339 N THR A 150 11.061 1.843 7.038 1.00 0.47 N ATOM 2340 CA THR A 150 11.849 0.632 6.953 1.00 0.51 C ATOM 2341 C THR A 150 11.450 -0.208 5.742 1.00 0.50 C ATOM 2342 O THR A 150 12.305 -0.795 5.090 1.00 0.56 O ATOM 2343 CB THR A 150 11.717 -0.198 8.238 1.00 0.56 C ATOM 2344 OG1 THR A 150 12.163 0.583 9.355 1.00 0.62 O ATOM 2345 CG2 THR A 150 12.528 -1.479 8.136 1.00 0.67 C ATOM 0 H THR A 150 10.524 1.934 7.901 1.00 0.47 H new ATOM 0 HA THR A 150 12.891 0.929 6.833 1.00 0.51 H new ATOM 0 HB THR A 150 10.671 -0.470 8.379 1.00 0.56 H new ATOM 0 HG1 THR A 150 12.078 0.056 10.177 1.00 0.62 H new ATOM 0 HG21 THR A 150 12.420 -2.052 9.057 1.00 0.67 H new ATOM 0 HG22 THR A 150 12.167 -2.072 7.295 1.00 0.67 H new ATOM 0 HG23 THR A 150 13.579 -1.233 7.982 1.00 0.67 H new ATOM 2353 N PHE A 151 10.164 -0.236 5.415 1.00 0.45 N ATOM 2354 CA PHE A 151 9.700 -1.007 4.270 1.00 0.47 C ATOM 2355 C PHE A 151 10.295 -0.456 2.979 1.00 0.48 C ATOM 2356 O PHE A 151 10.622 -1.209 2.061 1.00 0.55 O ATOM 2357 CB PHE A 151 8.173 -1.016 4.178 1.00 0.47 C ATOM 2358 CG PHE A 151 7.675 -1.722 2.950 1.00 1.18 C ATOM 2359 CD1 PHE A 151 7.874 -3.083 2.792 1.00 1.80 C ATOM 2360 CD2 PHE A 151 7.031 -1.021 1.946 1.00 1.75 C ATOM 2361 CE1 PHE A 151 7.437 -3.734 1.657 1.00 2.65 C ATOM 2362 CE2 PHE A 151 6.595 -1.666 0.806 1.00 2.61 C ATOM 2363 CZ PHE A 151 6.797 -3.025 0.663 1.00 3.00 C ATOM 0 H PHE A 151 9.431 0.261 5.921 1.00 0.45 H new ATOM 0 HA PHE A 151 10.036 -2.034 4.410 1.00 0.47 H new ATOM 0 HB2 PHE A 151 7.762 -1.500 5.064 1.00 0.47 H new ATOM 0 HB3 PHE A 151 7.806 0.010 4.177 1.00 0.47 H new ATOM 0 HD1 PHE A 151 8.378 -3.642 3.567 1.00 1.80 H new ATOM 0 HD2 PHE A 151 6.868 0.041 2.055 1.00 1.75 H new ATOM 0 HE1 PHE A 151 7.596 -4.797 1.547 1.00 2.65 H new ATOM 0 HE2 PHE A 151 6.096 -1.109 0.027 1.00 2.61 H new ATOM 0 HZ PHE A 151 6.454 -3.532 -0.227 1.00 3.00 H new ATOM 2373 N VAL A 152 10.452 0.855 2.913 1.00 0.45 N ATOM 2374 CA VAL A 152 11.046 1.477 1.743 1.00 0.49 C ATOM 2375 C VAL A 152 12.555 1.230 1.739 1.00 0.57 C ATOM 2376 O VAL A 152 13.205 1.236 0.692 1.00 0.64 O ATOM 2377 CB VAL A 152 10.718 2.986 1.626 1.00 0.60 C ATOM 2378 CG1 VAL A 152 9.478 3.325 2.433 1.00 1.15 C ATOM 2379 CG2 VAL A 152 11.896 3.851 2.029 1.00 0.91 C ATOM 0 H VAL A 152 10.179 1.505 3.650 1.00 0.45 H new ATOM 0 HA VAL A 152 10.603 1.012 0.862 1.00 0.49 H new ATOM 0 HB VAL A 152 10.512 3.203 0.578 1.00 0.60 H new ATOM 0 HG11 VAL A 152 9.263 4.389 2.339 1.00 1.15 H new ATOM 0 HG12 VAL A 152 8.632 2.749 2.059 1.00 1.15 H new ATOM 0 HG13 VAL A 152 9.648 3.080 3.481 1.00 1.15 H new ATOM 0 HG21 VAL A 152 11.625 4.902 1.933 1.00 0.91 H new ATOM 0 HG22 VAL A 152 12.166 3.639 3.064 1.00 0.91 H new ATOM 0 HG23 VAL A 152 12.745 3.634 1.381 1.00 0.91 H new ATOM 2389 N GLU A 153 13.106 1.014 2.925 1.00 0.59 N ATOM 2390 CA GLU A 153 14.496 0.631 3.058 1.00 0.69 C ATOM 2391 C GLU A 153 14.680 -0.792 2.544 1.00 0.70 C ATOM 2392 O GLU A 153 15.760 -1.175 2.097 1.00 0.80 O ATOM 2393 CB GLU A 153 14.937 0.743 4.516 1.00 0.76 C ATOM 2394 CG GLU A 153 14.804 2.156 5.048 1.00 0.80 C ATOM 2395 CD GLU A 153 15.837 3.100 4.470 1.00 1.31 C ATOM 2396 OE1 GLU A 153 15.693 3.505 3.298 1.00 1.67 O ATOM 2397 OE2 GLU A 153 16.790 3.455 5.190 1.00 1.58 O ATOM 0 H GLU A 153 12.606 1.099 3.810 1.00 0.59 H new ATOM 0 HA GLU A 153 15.117 1.303 2.465 1.00 0.69 H new ATOM 0 HB2 GLU A 153 14.338 0.069 5.128 1.00 0.76 H new ATOM 0 HB3 GLU A 153 15.974 0.419 4.606 1.00 0.76 H new ATOM 0 HG2 GLU A 153 13.807 2.533 4.821 1.00 0.80 H new ATOM 0 HG3 GLU A 153 14.899 2.141 6.134 1.00 0.80 H new ATOM 2404 N LEU A 154 13.602 -1.570 2.610 1.00 0.67 N ATOM 2405 CA LEU A 154 13.608 -2.937 2.114 1.00 0.72 C ATOM 2406 C LEU A 154 13.360 -2.956 0.611 1.00 0.74 C ATOM 2407 O LEU A 154 14.193 -3.438 -0.155 1.00 0.83 O ATOM 2408 CB LEU A 154 12.536 -3.782 2.816 1.00 0.72 C ATOM 2409 CG LEU A 154 12.424 -3.590 4.331 1.00 0.83 C ATOM 2410 CD1 LEU A 154 11.480 -4.616 4.936 1.00 1.30 C ATOM 2411 CD2 LEU A 154 13.789 -3.656 4.996 1.00 1.14 C ATOM 0 H LEU A 154 12.710 -1.271 3.005 1.00 0.67 H new ATOM 0 HA LEU A 154 14.588 -3.364 2.327 1.00 0.72 H new ATOM 0 HB2 LEU A 154 11.569 -3.554 2.367 1.00 0.72 H new ATOM 0 HB3 LEU A 154 12.740 -4.834 2.616 1.00 0.72 H new ATOM 0 HG LEU A 154 12.012 -2.597 4.512 1.00 0.83 H new ATOM 0 HD11 LEU A 154 11.416 -4.461 6.013 1.00 1.30 H new ATOM 0 HD12 LEU A 154 10.490 -4.505 4.494 1.00 1.30 H new ATOM 0 HD13 LEU A 154 11.856 -5.619 4.736 1.00 1.30 H new ATOM 0 HD21 LEU A 154 13.677 -3.516 6.071 1.00 1.14 H new ATOM 0 HD22 LEU A 154 14.242 -4.628 4.802 1.00 1.14 H new ATOM 0 HD23 LEU A 154 14.429 -2.871 4.593 1.00 1.14 H new ATOM 2423 N TYR A 155 12.223 -2.410 0.188 1.00 0.69 N ATOM 2424 CA TYR A 155 11.843 -2.457 -1.214 1.00 0.78 C ATOM 2425 C TYR A 155 11.822 -1.055 -1.808 1.00 0.77 C ATOM 2426 O TYR A 155 12.337 -0.837 -2.905 1.00 1.15 O ATOM 2427 CB TYR A 155 10.466 -3.109 -1.349 1.00 0.86 C ATOM 2428 CG TYR A 155 10.084 -3.478 -2.766 1.00 1.40 C ATOM 2429 CD1 TYR A 155 10.733 -4.505 -3.442 1.00 1.83 C ATOM 2430 CD2 TYR A 155 9.087 -2.784 -3.433 1.00 2.24 C ATOM 2431 CE1 TYR A 155 10.392 -4.829 -4.743 1.00 2.65 C ATOM 2432 CE2 TYR A 155 8.743 -3.098 -4.733 1.00 3.16 C ATOM 2433 CZ TYR A 155 9.368 -4.191 -5.358 1.00 3.24 C ATOM 2434 OH TYR A 155 9.056 -4.429 -6.683 1.00 4.24 O ATOM 0 H TYR A 155 11.555 -1.934 0.794 1.00 0.69 H new ATOM 0 HA TYR A 155 12.577 -3.049 -1.761 1.00 0.78 H new ATOM 0 HB2 TYR A 155 10.442 -4.008 -0.733 1.00 0.86 H new ATOM 0 HB3 TYR A 155 9.715 -2.428 -0.949 1.00 0.86 H new ATOM 0 HD1 TYR A 155 11.515 -5.058 -2.944 1.00 1.83 H new ATOM 0 HD2 TYR A 155 8.569 -1.983 -2.927 1.00 2.24 H new ATOM 0 HE1 TYR A 155 10.944 -5.593 -5.270 1.00 2.65 H new ATOM 0 HE2 TYR A 155 8.005 -2.513 -5.261 1.00 3.16 H new ATOM 0 HH TYR A 155 8.289 -3.876 -6.943 1.00 4.24 H new ATOM 2444 N GLY A 156 11.279 -0.109 -1.040 1.00 0.66 N ATOM 2445 CA GLY A 156 11.140 1.263 -1.496 1.00 0.64 C ATOM 2446 C GLY A 156 10.555 1.394 -2.878 1.00 0.78 C ATOM 2447 O GLY A 156 9.822 0.524 -3.354 1.00 1.10 O ATOM 0 H GLY A 156 10.929 -0.275 -0.096 1.00 0.66 H new ATOM 0 HA2 GLY A 156 10.509 1.806 -0.793 1.00 0.64 H new ATOM 0 HA3 GLY A 156 12.119 1.741 -1.481 1.00 0.64 H new ATOM 2451 N ASN A 157 10.859 2.502 -3.500 1.00 0.70 N ATOM 2452 CA ASN A 157 10.322 2.826 -4.785 1.00 0.80 C ATOM 2453 C ASN A 157 11.371 2.617 -5.855 1.00 1.14 C ATOM 2454 O ASN A 157 12.320 3.386 -5.952 1.00 1.29 O ATOM 2455 CB ASN A 157 9.842 4.267 -4.764 1.00 0.70 C ATOM 2456 CG ASN A 157 9.371 4.739 -6.120 1.00 0.77 C ATOM 2457 OD1 ASN A 157 8.128 4.441 -6.438 1.00 0.88 O flip ATOM 2458 ND2 ASN A 157 10.123 5.346 -6.880 1.00 0.76 N flip ATOM 0 H ASN A 157 11.492 3.207 -3.122 1.00 0.70 H new ATOM 0 HA ASN A 157 9.480 2.173 -5.015 1.00 0.80 H new ATOM 0 HB2 ASN A 157 9.028 4.365 -4.046 1.00 0.70 H new ATOM 0 HB3 ASN A 157 10.651 4.911 -4.419 1.00 0.70 H new ATOM 0 HD21 ASN A 157 11.079 5.556 -6.592 1.00 0.76 H new ATOM 0 HD22 ASN A 157 9.791 5.640 -7.799 1.00 0.76 H new ATOM 2969 N GLY B1005 -12.367 -13.375 1.046 1.00 1.02 N ATOM 2970 CA GLY B1005 -12.157 -14.225 2.230 1.00 1.07 C ATOM 2971 C GLY B1005 -10.998 -15.227 2.102 1.00 1.05 C ATOM 2972 O GLY B1005 -10.203 -15.389 3.028 1.00 1.20 O ATOM 0 HA2 GLY B1005 -11.972 -13.585 3.092 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -13.075 -14.776 2.433 1.00 1.07 H new ATOM 2976 N ARG B1006 -10.918 -15.918 0.962 1.00 1.08 N ATOM 2977 CA ARG B1006 -9.838 -16.869 0.710 1.00 1.08 C ATOM 2978 C ARG B1006 -8.794 -16.353 -0.284 1.00 1.04 C ATOM 2979 O ARG B1006 -7.640 -16.767 -0.232 1.00 1.10 O ATOM 2980 CB ARG B1006 -10.401 -18.174 0.158 1.00 1.14 C ATOM 2981 CG ARG B1006 -11.235 -18.952 1.146 1.00 1.24 C ATOM 2982 CD ARG B1006 -10.442 -19.256 2.405 1.00 1.55 C ATOM 2983 NE ARG B1006 -11.249 -19.905 3.435 1.00 1.88 N ATOM 2984 CZ ARG B1006 -10.944 -19.884 4.729 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -9.897 -19.191 5.157 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -11.696 -20.535 5.603 1.00 2.87 N ATOM 0 H ARG B1006 -11.590 -15.835 0.199 1.00 1.08 H new ATOM 0 HA ARG B1006 -9.349 -17.020 1.672 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -11.009 -17.953 -0.719 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -9.575 -18.801 -0.177 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -12.128 -18.382 1.403 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -11.572 -19.883 0.690 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -9.598 -19.898 2.152 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -10.029 -18.329 2.803 1.00 1.55 H new ATOM 0 HE ARG B1006 -12.092 -20.401 3.146 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -9.323 -18.672 4.493 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -9.666 -19.177 6.150 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -12.513 -21.056 5.285 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -11.458 -20.516 6.595 1.00 2.87 H new ATOM 3000 N ALA B1007 -9.189 -15.460 -1.182 1.00 1.02 N ATOM 3001 CA ALA B1007 -8.369 -15.153 -2.356 1.00 1.05 C ATOM 3002 C ALA B1007 -7.205 -14.217 -2.050 1.00 1.02 C ATOM 3003 O ALA B1007 -6.051 -14.595 -2.236 1.00 1.31 O ATOM 3004 CB ALA B1007 -9.222 -14.583 -3.475 1.00 1.10 C ATOM 0 H ALA B1007 -10.063 -14.938 -1.125 1.00 1.02 H new ATOM 0 HA ALA B1007 -7.934 -16.099 -2.678 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -8.592 -14.362 -4.337 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -9.983 -15.310 -3.759 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -9.704 -13.667 -3.134 1.00 1.10 H new ATOM 3010 N LEU B1008 -7.497 -13.002 -1.591 1.00 0.84 N ATOM 3011 CA LEU B1008 -6.442 -12.014 -1.350 1.00 0.83 C ATOM 3012 C LEU B1008 -5.552 -12.515 -0.225 1.00 0.78 C ATOM 3013 O LEU B1008 -4.327 -12.437 -0.304 1.00 0.79 O ATOM 3014 CB LEU B1008 -7.019 -10.629 -0.994 1.00 0.90 C ATOM 3015 CG LEU B1008 -8.045 -10.037 -1.971 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -7.573 -10.195 -3.400 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -9.418 -10.670 -1.787 1.00 1.33 C ATOM 0 H LEU B1008 -8.441 -12.679 -1.380 1.00 0.84 H new ATOM 0 HA LEU B1008 -5.864 -11.894 -2.267 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -7.485 -10.697 -0.011 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -6.189 -9.927 -0.905 1.00 0.90 H new ATOM 0 HG LEU B1008 -8.137 -8.973 -1.751 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -8.314 -9.769 -4.077 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -6.623 -9.676 -3.529 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -7.442 -11.253 -3.625 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -10.120 -10.228 -2.494 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -9.351 -11.743 -1.965 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -9.767 -10.492 -0.770 1.00 1.33 H new ATOM 3029 N ALA B1009 -6.208 -13.013 0.816 1.00 0.78 N ATOM 3030 CA ALA B1009 -5.582 -13.742 1.905 1.00 0.78 C ATOM 3031 C ALA B1009 -4.450 -14.630 1.386 1.00 0.80 C ATOM 3032 O ALA B1009 -3.314 -14.592 1.861 1.00 0.76 O ATOM 3033 CB ALA B1009 -6.608 -14.638 2.569 1.00 0.88 C ATOM 0 H ALA B1009 -7.217 -12.917 0.926 1.00 0.78 H new ATOM 0 HA ALA B1009 -5.182 -13.015 2.612 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -6.138 -15.185 3.386 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -7.423 -14.030 2.961 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -7.001 -15.345 1.838 1.00 0.88 H new ATOM 3039 N ALA B1010 -4.810 -15.428 0.378 1.00 0.89 N ATOM 3040 CA ALA B1010 -3.937 -16.438 -0.202 1.00 0.94 C ATOM 3041 C ALA B1010 -2.890 -15.824 -1.122 1.00 0.92 C ATOM 3042 O ALA B1010 -1.711 -16.168 -1.054 1.00 0.92 O ATOM 3043 CB ALA B1010 -4.777 -17.439 -0.979 1.00 1.03 C ATOM 0 H ALA B1010 -5.730 -15.386 -0.061 1.00 0.89 H new ATOM 0 HA ALA B1010 -3.409 -16.936 0.612 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -4.128 -18.198 -1.416 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -5.490 -17.915 -0.306 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -5.316 -16.923 -1.773 1.00 1.03 H new ATOM 3049 N PHE B1011 -3.326 -14.928 -1.993 1.00 0.93 N ATOM 3050 CA PHE B1011 -2.428 -14.300 -2.952 1.00 0.93 C ATOM 3051 C PHE B1011 -1.443 -13.370 -2.252 1.00 0.85 C ATOM 3052 O PHE B1011 -0.343 -13.126 -2.750 1.00 0.89 O ATOM 3053 CB PHE B1011 -3.225 -13.545 -4.020 1.00 0.97 C ATOM 3054 CG PHE B1011 -3.725 -14.430 -5.129 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -2.858 -14.855 -6.119 1.00 1.50 C ATOM 3056 CD2 PHE B1011 -5.053 -14.839 -5.190 1.00 1.18 C ATOM 3057 CE1 PHE B1011 -3.297 -15.666 -7.143 1.00 1.67 C ATOM 3058 CE2 PHE B1011 -5.496 -15.646 -6.214 1.00 1.32 C ATOM 3059 CZ PHE B1011 -4.618 -16.062 -7.193 1.00 1.46 C ATOM 0 H PHE B1011 -4.296 -14.619 -2.057 1.00 0.93 H new ATOM 0 HA PHE B1011 -1.854 -15.085 -3.444 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -4.075 -13.052 -3.548 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -2.597 -12.762 -4.445 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -1.823 -14.547 -6.089 1.00 1.50 H new ATOM 0 HD2 PHE B1011 -5.745 -14.520 -4.425 1.00 1.18 H new ATOM 0 HE1 PHE B1011 -2.607 -15.992 -7.907 1.00 1.67 H new ATOM 0 HE2 PHE B1011 -6.531 -15.953 -6.251 1.00 1.32 H new ATOM 0 HZ PHE B1011 -4.963 -16.696 -7.996 1.00 1.46 H new ATOM 3069 N GLY B1012 -1.836 -12.881 -1.085 1.00 0.78 N ATOM 3070 CA GLY B1012 -0.980 -12.011 -0.307 1.00 0.72 C ATOM 3071 C GLY B1012 0.171 -12.753 0.330 1.00 0.73 C ATOM 3072 O GLY B1012 1.128 -12.141 0.797 1.00 0.78 O ATOM 0 H GLY B1012 -2.743 -13.074 -0.660 1.00 0.78 H new ATOM 0 HA2 GLY B1012 -0.589 -11.222 -0.949 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -1.570 -11.526 0.470 1.00 0.72 H new ATOM 3076 N ASP B1013 0.080 -14.075 0.345 1.00 0.78 N ATOM 3077 CA ASP B1013 1.150 -14.914 0.874 1.00 0.86 C ATOM 3078 C ASP B1013 2.412 -14.773 0.020 1.00 0.93 C ATOM 3079 O ASP B1013 3.523 -15.048 0.470 1.00 1.06 O ATOM 3080 CB ASP B1013 0.692 -16.374 0.902 1.00 0.98 C ATOM 3081 CG ASP B1013 1.597 -17.272 1.718 1.00 1.18 C ATOM 3082 OD1 ASP B1013 2.598 -17.772 1.160 1.00 1.48 O ATOM 3083 OD2 ASP B1013 1.339 -17.454 2.924 1.00 1.90 O ATOM 0 H ASP B1013 -0.726 -14.593 -0.004 1.00 0.78 H new ATOM 0 HA ASP B1013 1.384 -14.592 1.889 1.00 0.86 H new ATOM 0 HB2 ASP B1013 -0.318 -16.422 1.309 1.00 0.98 H new ATOM 0 HB3 ASP B1013 0.643 -16.751 -0.119 1.00 0.98 H new ATOM 3088 N CYS B1014 2.229 -14.305 -1.212 1.00 0.93 N ATOM 3089 CA CYS B1014 3.325 -14.167 -2.168 1.00 1.06 C ATOM 3090 C CYS B1014 3.922 -12.758 -2.152 1.00 1.08 C ATOM 3091 O CYS B1014 4.345 -12.244 -3.188 1.00 1.44 O ATOM 3092 CB CYS B1014 2.836 -14.504 -3.578 1.00 1.12 C ATOM 3093 SG CYS B1014 2.785 -16.287 -3.956 1.00 1.34 S ATOM 0 H CYS B1014 1.322 -14.012 -1.575 1.00 0.93 H new ATOM 0 HA CYS B1014 4.108 -14.865 -1.872 1.00 1.06 H new ATOM 0 HB2 CYS B1014 1.837 -14.089 -3.711 1.00 1.12 H new ATOM 0 HB3 CYS B1014 3.485 -14.011 -4.301 1.00 1.12 H new ATOM 0 HG CYS B1014 2.356 -16.461 -5.171 1.00 1.34 H new