USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1346 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 106 GLN :FLIP amide:sc= -3.45! C(o=-8.3!,f=-4.4!) USER MOD Set 1.2: A 108 TYR OH : rot 60:sc= -0.988! USER MOD Set 2.1: A 69 TYR OH : rot 180:sc= 0.514 USER MOD Set 2.2: A 70 GLN : amide:sc= 0.529 K(o=1,f=-0.56!) USER MOD Set 3.1: A 20 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 26 CYS SG : rot 168:sc= -0.769 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.455 USER MOD Single : A 14 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.081) USER MOD Single : A 16 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.19) USER MOD Single : A 22 CYS SG : rot -103:sc= 0.827 USER MOD Single : A 24 CYS SG : rot 23:sc= 0.0809 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -29:sc= 0.312! USER MOD Single : A 36 CYS SG : rot 44:sc= -2.34! USER MOD Single : A 37 ASN : amide:sc= -2.71! C(o=-2.7!,f=-6.2!) USER MOD Single : A 38 SER OG : rot 52:sc= 1.19 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.655 X(o=-0.65,f=-0.39) USER MOD Single : A 55 SER OG : rot 57:sc= 0.294 USER MOD Single : A 57 HIS : no HD1:sc= -0.0753 X(o=-0.075,f=-0.075) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0889 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.31! C(o=-2.3!,f=-3.7!) USER MOD Single : A 81 SER OG : rot -109:sc= 0.0198 USER MOD Single : A 82 CYS SG : rot -16:sc= -0.513! USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 88 SER OG : rot -3:sc= 0.773 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.99!) USER MOD Single : A 94 LYS NZ :NH3+ -173:sc= 0.0483 (180deg=0.0396) USER MOD Single : A 96 GLN : amide:sc= -8.38! C(o=-8.4!,f=-12!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN :FLIP amide:sc= -0.58 F(o=-2.6,f=-0.58) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0586 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot -103:sc= -13! USER MOD Single : A 116 SER OG : rot -119:sc= -1 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -3.85! C(o=-5.3!,f=-3.9!) USER MOD Single : A 122 HIS : no HD1:sc= -1.88! C(o=-1.9!,f=-3.8!) USER MOD Single : A 127 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-4.8!) USER MOD Single : A 128 SER OG : rot 28:sc= -0.0234 USER MOD Single : A 129 CYS SG : rot 107:sc= -2.51! USER MOD Single : A 130 LYS NZ :NH3+ 144:sc= -2.33! (180deg=-7!) USER MOD Single : A 135 THR OG1 : rot 42:sc= 0.691 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 ASN :FLIP amide:sc= -1.2 F(o=-4!,f=-1.2) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -2.63! C(o=-2.6!,f=-7.3!) USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 161:sc= -0.0846 (180deg=-0.637) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 70:sc= 0.0582 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG : rot 180:sc= -0.409 USER MOD Single : A 170 GLN : amide:sc= -0.0303 X(o=-0.03,f=-0.03) USER MOD Single : A 171 SER OG : rot -112:sc= -0.388 USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 -9.379 -9.667 -11.556 1.00 0.01 N ATOM 58 CA GLY A 5 -9.288 -8.803 -10.345 1.00 0.01 C ATOM 59 C GLY A 5 -10.603 -8.050 -10.125 1.00 0.01 C ATOM 60 O GLY A 5 -11.295 -7.691 -11.057 1.00 0.01 O ATOM 0 HA2 GLY A 5 -9.061 -9.414 -9.471 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -8.469 -8.092 -10.458 1.00 0.01 H new ATOM 64 N LYS A 6 -10.948 -7.814 -8.888 1.00 0.00 N ATOM 65 CA LYS A 6 -12.216 -7.087 -8.578 1.00 0.01 C ATOM 66 C LYS A 6 -12.080 -6.363 -7.235 1.00 0.01 C ATOM 67 O LYS A 6 -11.551 -6.900 -6.276 1.00 0.00 O ATOM 68 CB LYS A 6 -13.385 -8.072 -8.511 1.00 0.02 C ATOM 69 CG LYS A 6 -14.653 -7.337 -8.062 1.00 0.02 C ATOM 70 CD LYS A 6 -15.884 -8.190 -8.381 1.00 0.02 C ATOM 71 CE LYS A 6 -15.815 -9.503 -7.598 1.00 0.02 C ATOM 72 NZ LYS A 6 -17.154 -10.159 -7.605 1.00 0.02 N ATOM 0 H LYS A 6 -10.403 -8.095 -8.073 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.408 -6.360 -9.367 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.544 -8.529 -9.487 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -13.154 -8.879 -7.815 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -14.607 -7.133 -6.992 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.725 -6.374 -8.567 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -16.793 -7.647 -8.121 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -15.930 -8.395 -9.451 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -15.072 -10.165 -8.043 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -15.498 -9.311 -6.573 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -17.106 -11.051 -7.073 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -17.852 -9.528 -7.162 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -17.439 -10.356 -8.586 1.00 0.02 H new ATOM 86 N ILE A 7 -12.575 -5.145 -7.169 1.00 0.02 N ATOM 87 CA ILE A 7 -12.512 -4.345 -5.903 1.00 0.00 C ATOM 88 C ILE A 7 -13.901 -3.767 -5.601 1.00 0.02 C ATOM 89 O ILE A 7 -14.609 -3.334 -6.490 1.00 0.01 O ATOM 90 CB ILE A 7 -11.466 -3.234 -6.056 1.00 0.02 C ATOM 91 CG1 ILE A 7 -11.558 -2.266 -4.872 1.00 0.02 C ATOM 92 CG2 ILE A 7 -11.708 -2.469 -7.355 1.00 0.01 C ATOM 93 CD1 ILE A 7 -10.349 -1.322 -4.885 1.00 0.02 C ATOM 0 H ILE A 7 -13.025 -4.668 -7.950 1.00 0.02 H new ATOM 0 HA ILE A 7 -12.216 -4.979 -5.067 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.474 -3.684 -6.080 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -12.482 -1.691 -4.930 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -11.588 -2.823 -3.935 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -10.962 -1.681 -7.458 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -11.632 -3.153 -8.200 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -12.703 -2.025 -7.336 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -10.416 -0.634 -4.042 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -9.431 -1.905 -4.806 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -10.340 -0.755 -5.816 1.00 0.02 H new ATOM 105 N SER A 8 -14.289 -3.749 -4.345 1.00 0.02 N ATOM 106 CA SER A 8 -15.630 -3.192 -3.956 1.00 0.02 C ATOM 107 C SER A 8 -15.451 -2.048 -2.950 1.00 0.01 C ATOM 108 O SER A 8 -14.758 -2.178 -1.961 1.00 0.02 O ATOM 109 CB SER A 8 -16.489 -4.287 -3.319 1.00 0.30 C ATOM 110 OG SER A 8 -16.359 -5.484 -4.074 1.00 0.39 O ATOM 0 H SER A 8 -13.731 -4.099 -3.566 1.00 0.02 H new ATOM 0 HA SER A 8 -16.123 -2.817 -4.853 1.00 0.02 H new ATOM 0 HB2 SER A 8 -16.176 -4.457 -2.289 1.00 0.30 H new ATOM 0 HB3 SER A 8 -17.533 -3.975 -3.288 1.00 0.30 H new ATOM 0 HG SER A 8 -16.907 -6.188 -3.668 1.00 0.39 H new ATOM 116 N PHE A 9 -16.094 -0.929 -3.197 1.00 0.02 N ATOM 117 CA PHE A 9 -15.999 0.245 -2.270 1.00 0.01 C ATOM 118 C PHE A 9 -17.354 0.455 -1.574 1.00 0.01 C ATOM 119 O PHE A 9 -18.393 0.305 -2.187 1.00 0.02 O ATOM 120 CB PHE A 9 -15.664 1.504 -3.080 1.00 0.02 C ATOM 121 CG PHE A 9 -14.578 1.212 -4.090 1.00 0.01 C ATOM 122 CD1 PHE A 9 -14.886 0.520 -5.268 1.00 0.01 C ATOM 123 CD2 PHE A 9 -13.268 1.649 -3.858 1.00 0.01 C ATOM 124 CE1 PHE A 9 -13.885 0.264 -6.211 1.00 0.02 C ATOM 125 CE2 PHE A 9 -12.267 1.394 -4.804 1.00 0.02 C ATOM 126 CZ PHE A 9 -12.576 0.701 -5.980 1.00 0.02 C ATOM 0 H PHE A 9 -16.688 -0.778 -4.012 1.00 0.02 H new ATOM 0 HA PHE A 9 -15.222 0.059 -1.528 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -16.557 1.863 -3.592 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -15.340 2.299 -2.409 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -15.896 0.184 -5.448 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -13.030 2.183 -2.950 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -14.123 -0.271 -7.118 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -11.257 1.732 -4.626 1.00 0.02 H new ATOM 0 HZ PHE A 9 -11.804 0.504 -6.709 1.00 0.02 H new ATOM 136 N TYR A 10 -17.354 0.796 -0.303 1.00 0.02 N ATOM 137 CA TYR A 10 -18.648 1.012 0.436 1.00 0.01 C ATOM 138 C TYR A 10 -18.679 2.428 1.024 1.00 0.02 C ATOM 139 O TYR A 10 -17.686 2.927 1.514 1.00 0.01 O ATOM 140 CB TYR A 10 -18.756 -0.009 1.576 1.00 0.02 C ATOM 141 CG TYR A 10 -18.335 -1.374 1.081 1.00 0.02 C ATOM 142 CD1 TYR A 10 -16.981 -1.644 0.836 1.00 0.02 C ATOM 143 CD2 TYR A 10 -19.295 -2.373 0.869 1.00 0.00 C ATOM 144 CE1 TYR A 10 -16.590 -2.907 0.381 1.00 0.02 C ATOM 145 CE2 TYR A 10 -18.902 -3.636 0.414 1.00 0.02 C ATOM 146 CZ TYR A 10 -17.551 -3.903 0.169 1.00 0.00 C ATOM 147 OH TYR A 10 -17.164 -5.148 -0.280 1.00 0.02 O ATOM 0 H TYR A 10 -16.513 0.935 0.257 1.00 0.02 H new ATOM 0 HA TYR A 10 -19.483 0.888 -0.254 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -18.125 0.296 2.411 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -19.780 -0.046 1.947 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -16.240 -0.876 0.999 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -20.338 -2.168 1.057 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -15.547 -3.114 0.193 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -19.642 -4.406 0.252 1.00 0.02 H new ATOM 0 HH TYR A 10 -17.953 -5.722 -0.374 1.00 0.02 H new ATOM 157 N GLU A 11 -19.802 3.098 0.949 1.00 0.00 N ATOM 158 CA GLU A 11 -19.867 4.495 1.471 1.00 0.02 C ATOM 159 C GLU A 11 -19.764 4.535 2.995 1.00 0.03 C ATOM 160 O GLU A 11 -19.317 5.521 3.548 1.00 0.03 O ATOM 161 CB GLU A 11 -21.196 5.133 1.055 1.00 0.00 C ATOM 162 CG GLU A 11 -21.333 5.086 -0.466 1.00 0.00 C ATOM 163 CD GLU A 11 -22.426 6.063 -0.913 1.00 0.02 C ATOM 164 OE1 GLU A 11 -23.475 6.071 -0.289 1.00 0.02 O ATOM 165 OE2 GLU A 11 -22.194 6.785 -1.869 1.00 0.01 O ATOM 0 H GLU A 11 -20.670 2.740 0.551 1.00 0.00 H new ATOM 0 HA GLU A 11 -19.024 5.044 1.052 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -22.027 4.604 1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.240 6.165 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.384 5.346 -0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.581 4.075 -0.788 1.00 0.00 H new ATOM 172 N ASP A 12 -20.169 3.497 3.693 1.00 0.02 N ATOM 173 CA ASP A 12 -20.082 3.516 5.189 1.00 0.01 C ATOM 174 C ASP A 12 -19.071 2.474 5.672 1.00 0.02 C ATOM 175 O ASP A 12 -18.596 1.644 4.922 1.00 0.02 O ATOM 176 CB ASP A 12 -21.450 3.189 5.791 1.00 0.01 C ATOM 177 CG ASP A 12 -22.525 4.041 5.112 1.00 0.01 C ATOM 178 OD1 ASP A 12 -22.164 4.888 4.313 1.00 0.02 O ATOM 179 OD2 ASP A 12 -23.690 3.829 5.402 1.00 0.03 O ATOM 0 H ASP A 12 -20.554 2.642 3.292 1.00 0.02 H new ATOM 0 HA ASP A 12 -19.763 4.509 5.505 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -21.673 2.130 5.659 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -21.442 3.382 6.864 1.00 0.01 H new ATOM 184 N ARG A 13 -18.742 2.532 6.931 1.00 0.02 N ATOM 185 CA ARG A 13 -17.759 1.578 7.518 1.00 0.02 C ATOM 186 C ARG A 13 -18.411 0.205 7.711 1.00 0.00 C ATOM 187 O ARG A 13 -19.614 0.078 7.797 1.00 0.02 O ATOM 188 CB ARG A 13 -17.312 2.125 8.875 1.00 0.00 C ATOM 189 CG ARG A 13 -16.400 3.336 8.663 1.00 0.01 C ATOM 190 CD ARG A 13 -16.088 3.989 10.013 1.00 0.02 C ATOM 191 NE ARG A 13 -15.487 5.333 9.789 1.00 0.03 N ATOM 192 CZ ARG A 13 -15.419 6.189 10.772 1.00 0.02 C ATOM 193 NH1 ARG A 13 -15.878 5.866 11.951 1.00 0.02 N ATOM 194 NH2 ARG A 13 -14.893 7.366 10.576 1.00 0.02 N ATOM 0 H ARG A 13 -19.119 3.212 7.591 1.00 0.02 H new ATOM 0 HA ARG A 13 -16.904 1.469 6.851 1.00 0.02 H new ATOM 0 HB2 ARG A 13 -18.181 2.410 9.468 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.784 1.353 9.434 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.476 3.026 8.175 1.00 0.01 H new ATOM 0 HG3 ARG A 13 -16.883 4.056 8.003 1.00 0.01 H new ATOM 0 HD2 ARG A 13 -16.999 4.081 10.604 1.00 0.02 H new ATOM 0 HD3 ARG A 13 -15.401 3.362 10.582 1.00 0.02 H new ATOM 0 HE ARG A 13 -15.129 5.585 8.868 1.00 0.03 H new ATOM 0 HH11 ARG A 13 -16.289 4.945 12.103 1.00 0.02 H new ATOM 0 HH12 ARG A 13 -15.825 6.535 12.720 1.00 0.02 H new ATOM 0 HH21 ARG A 13 -14.535 7.618 9.655 1.00 0.02 H new ATOM 0 HH22 ARG A 13 -14.840 8.035 11.344 1.00 0.02 H new ATOM 208 N ASN A 14 -17.601 -0.820 7.793 1.00 0.02 N ATOM 209 CA ASN A 14 -18.118 -2.207 8.000 1.00 0.02 C ATOM 210 C ASN A 14 -18.932 -2.681 6.790 1.00 0.02 C ATOM 211 O ASN A 14 -19.864 -3.453 6.905 1.00 0.02 O ATOM 212 CB ASN A 14 -18.970 -2.243 9.276 1.00 0.26 C ATOM 213 CG ASN A 14 -19.094 -3.687 9.776 1.00 0.12 C ATOM 214 OD1 ASN A 14 -20.186 -4.207 9.905 1.00 0.74 O ATOM 215 ND2 ASN A 14 -18.014 -4.362 10.064 1.00 0.46 N ATOM 0 H ASN A 14 -16.586 -0.753 7.724 1.00 0.02 H new ATOM 0 HA ASN A 14 -17.273 -2.887 8.110 1.00 0.02 H new ATOM 0 HB2 ASN A 14 -18.515 -1.620 10.046 1.00 0.26 H new ATOM 0 HB3 ASN A 14 -19.959 -1.831 9.076 1.00 0.26 H new ATOM 0 HD21 ASN A 14 -18.087 -5.324 10.396 1.00 0.46 H new ATOM 0 HD22 ASN A 14 -17.097 -3.928 9.956 1.00 0.46 H new ATOM 222 N PHE A 15 -18.537 -2.241 5.624 1.00 0.02 N ATOM 223 CA PHE A 15 -19.216 -2.667 4.362 1.00 0.02 C ATOM 224 C PHE A 15 -20.721 -2.376 4.416 1.00 0.00 C ATOM 225 O PHE A 15 -21.532 -3.167 3.981 1.00 0.02 O ATOM 226 CB PHE A 15 -18.988 -4.179 4.152 1.00 0.02 C ATOM 227 CG PHE A 15 -17.677 -4.587 4.784 1.00 0.02 C ATOM 228 CD1 PHE A 15 -16.470 -4.324 4.126 1.00 0.02 C ATOM 229 CD2 PHE A 15 -17.671 -5.223 6.031 1.00 0.02 C ATOM 230 CE1 PHE A 15 -15.257 -4.697 4.717 1.00 0.02 C ATOM 231 CE2 PHE A 15 -16.459 -5.595 6.621 1.00 0.02 C ATOM 232 CZ PHE A 15 -15.252 -5.333 5.965 1.00 0.02 C ATOM 0 H PHE A 15 -17.760 -1.594 5.490 1.00 0.02 H new ATOM 0 HA PHE A 15 -18.792 -2.103 3.531 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -19.808 -4.745 4.594 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -18.978 -4.411 3.087 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -16.474 -3.834 3.164 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -18.603 -5.426 6.538 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -14.325 -4.494 4.211 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -16.455 -6.085 7.584 1.00 0.02 H new ATOM 0 HZ PHE A 15 -14.316 -5.621 6.421 1.00 0.02 H new ATOM 242 N GLN A 16 -21.086 -1.232 4.930 1.00 0.02 N ATOM 243 CA GLN A 16 -22.530 -0.844 5.003 1.00 0.02 C ATOM 244 C GLN A 16 -22.756 0.341 4.060 1.00 0.02 C ATOM 245 O GLN A 16 -21.816 0.970 3.608 1.00 0.02 O ATOM 246 CB GLN A 16 -22.869 -0.423 6.438 1.00 0.02 C ATOM 247 CG GLN A 16 -23.053 -1.669 7.308 1.00 0.00 C ATOM 248 CD GLN A 16 -24.387 -2.336 6.967 1.00 0.00 C ATOM 249 OE1 GLN A 16 -25.430 -1.889 7.401 1.00 0.02 O ATOM 250 NE2 GLN A 16 -24.397 -3.393 6.201 1.00 0.02 N ATOM 0 H GLN A 16 -20.439 -0.540 5.308 1.00 0.02 H new ATOM 0 HA GLN A 16 -23.163 -1.683 4.715 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -22.072 0.201 6.843 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -23.779 0.177 6.447 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -22.232 -2.367 7.141 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -23.030 -1.396 8.363 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -23.521 -3.767 5.837 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -25.281 -3.844 5.966 1.00 0.02 H new ATOM 259 N GLY A 17 -23.986 0.656 3.751 1.00 0.03 N ATOM 260 CA GLY A 17 -24.250 1.806 2.836 1.00 0.03 C ATOM 261 C GLY A 17 -24.268 1.340 1.375 1.00 0.02 C ATOM 262 O GLY A 17 -24.297 0.160 1.087 1.00 0.02 O ATOM 0 H GLY A 17 -24.816 0.170 4.090 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -25.205 2.267 3.088 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -23.483 2.569 2.971 1.00 0.03 H new ATOM 266 N ARG A 18 -24.239 2.264 0.455 1.00 0.00 N ATOM 267 CA ARG A 18 -24.240 1.894 -0.990 1.00 0.02 C ATOM 268 C ARG A 18 -22.892 1.261 -1.342 1.00 0.02 C ATOM 269 O ARG A 18 -21.860 1.640 -0.819 1.00 0.02 O ATOM 270 CB ARG A 18 -24.470 3.154 -1.830 1.00 0.79 C ATOM 271 CG ARG A 18 -24.250 2.835 -3.311 1.00 1.49 C ATOM 272 CD ARG A 18 -24.815 3.971 -4.165 1.00 1.42 C ATOM 273 NE ARG A 18 -26.293 4.046 -3.982 1.00 2.07 N ATOM 274 CZ ARG A 18 -26.946 5.106 -4.371 1.00 2.35 C ATOM 275 NH1 ARG A 18 -26.306 6.104 -4.915 1.00 2.53 N ATOM 276 NH2 ARG A 18 -28.239 5.169 -4.213 1.00 2.76 N ATOM 0 H ARG A 18 -24.214 3.266 0.643 1.00 0.00 H new ATOM 0 HA ARG A 18 -25.036 1.179 -1.197 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -25.483 3.526 -1.675 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -23.788 3.943 -1.513 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -23.186 2.708 -3.513 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -24.738 1.895 -3.568 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -24.355 4.917 -3.880 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -24.576 3.803 -5.215 1.00 1.42 H new ATOM 0 HE ARG A 18 -26.794 3.268 -3.552 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -25.294 6.056 -5.036 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -26.817 6.933 -5.219 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -28.739 4.390 -3.785 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -28.750 5.998 -4.517 1.00 2.76 H new ATOM 290 N ARG A 19 -22.901 0.279 -2.212 1.00 0.02 N ATOM 291 CA ARG A 19 -21.634 -0.421 -2.600 1.00 0.02 C ATOM 292 C ARG A 19 -21.393 -0.287 -4.106 1.00 0.02 C ATOM 293 O ARG A 19 -22.314 -0.225 -4.896 1.00 0.02 O ATOM 294 CB ARG A 19 -21.774 -1.906 -2.254 1.00 0.85 C ATOM 295 CG ARG A 19 -20.430 -2.616 -2.439 1.00 1.31 C ATOM 296 CD ARG A 19 -20.619 -4.127 -2.266 1.00 1.34 C ATOM 297 NE ARG A 19 -21.224 -4.696 -3.502 1.00 1.50 N ATOM 298 CZ ARG A 19 -21.206 -5.985 -3.702 1.00 1.63 C ATOM 299 NH1 ARG A 19 -20.660 -6.776 -2.818 1.00 1.72 N ATOM 300 NH2 ARG A 19 -21.734 -6.485 -4.786 1.00 1.89 N ATOM 0 H ARG A 19 -23.740 -0.071 -2.674 1.00 0.02 H new ATOM 0 HA ARG A 19 -20.796 0.025 -2.064 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -22.115 -2.017 -1.225 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -22.529 -2.367 -2.891 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -20.027 -2.401 -3.428 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -19.708 -2.244 -1.712 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -19.660 -4.604 -2.065 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -21.261 -4.328 -1.408 1.00 1.34 H new ATOM 0 HE ARG A 19 -21.652 -4.078 -4.192 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -20.247 -6.386 -1.971 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -20.646 -7.784 -2.975 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -22.161 -5.868 -5.477 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -21.720 -7.493 -4.942 1.00 1.89 H new ATOM 314 N TYR A 20 -20.146 -0.262 -4.501 1.00 0.02 N ATOM 315 CA TYR A 20 -19.793 -0.156 -5.952 1.00 0.02 C ATOM 316 C TYR A 20 -18.725 -1.205 -6.267 1.00 0.02 C ATOM 317 O TYR A 20 -17.720 -1.288 -5.597 1.00 0.02 O ATOM 318 CB TYR A 20 -19.244 1.241 -6.253 1.00 0.02 C ATOM 319 CG TYR A 20 -18.780 1.298 -7.691 1.00 0.01 C ATOM 320 CD1 TYR A 20 -19.714 1.194 -8.729 1.00 0.02 C ATOM 321 CD2 TYR A 20 -17.418 1.454 -7.989 1.00 0.01 C ATOM 322 CE1 TYR A 20 -19.288 1.246 -10.062 1.00 0.02 C ATOM 323 CE2 TYR A 20 -16.994 1.506 -9.321 1.00 0.02 C ATOM 324 CZ TYR A 20 -17.929 1.402 -10.359 1.00 0.02 C ATOM 325 OH TYR A 20 -17.510 1.455 -11.674 1.00 0.01 O ATOM 0 H TYR A 20 -19.345 -0.311 -3.872 1.00 0.02 H new ATOM 0 HA TYR A 20 -20.679 -0.324 -6.564 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -20.014 1.992 -6.078 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -18.416 1.471 -5.583 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -20.763 1.074 -8.502 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -16.696 1.534 -7.189 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -20.009 1.166 -10.862 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -15.945 1.626 -9.549 1.00 0.02 H new ATOM 0 HH TYR A 20 -16.537 1.567 -11.703 1.00 0.01 H new ATOM 335 N ASP A 21 -18.945 -2.016 -7.273 1.00 0.01 N ATOM 336 CA ASP A 21 -17.954 -3.083 -7.639 1.00 0.02 C ATOM 337 C ASP A 21 -17.323 -2.758 -8.993 1.00 0.00 C ATOM 338 O ASP A 21 -17.994 -2.349 -9.920 1.00 0.01 O ATOM 339 CB ASP A 21 -18.688 -4.423 -7.734 1.00 0.12 C ATOM 340 CG ASP A 21 -19.948 -4.253 -8.585 1.00 0.41 C ATOM 341 OD1 ASP A 21 -20.160 -3.161 -9.085 1.00 1.12 O ATOM 342 OD2 ASP A 21 -20.680 -5.219 -8.721 1.00 0.56 O ATOM 0 H ASP A 21 -19.776 -1.986 -7.863 1.00 0.01 H new ATOM 0 HA ASP A 21 -17.172 -3.134 -6.881 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -18.036 -5.177 -8.176 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -18.954 -4.776 -6.738 1.00 0.12 H new ATOM 347 N CYS A 22 -16.026 -2.929 -9.103 1.00 0.01 N ATOM 348 CA CYS A 22 -15.318 -2.626 -10.388 1.00 0.00 C ATOM 349 C CYS A 22 -14.423 -3.806 -10.774 1.00 0.02 C ATOM 350 O CYS A 22 -13.765 -4.405 -9.942 1.00 0.01 O ATOM 351 CB CYS A 22 -14.472 -1.364 -10.207 1.00 0.00 C ATOM 352 SG CYS A 22 -13.963 -0.741 -11.828 1.00 0.02 S ATOM 0 H CYS A 22 -15.424 -3.268 -8.352 1.00 0.01 H new ATOM 0 HA CYS A 22 -16.047 -2.463 -11.182 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -15.044 -0.603 -9.676 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.595 -1.585 -9.599 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.720 -1.057 -12.044 1.00 0.02 H new ATOM 358 N ASP A 23 -14.404 -4.148 -12.042 1.00 0.01 N ATOM 359 CA ASP A 23 -13.569 -5.295 -12.525 1.00 0.02 C ATOM 360 C ASP A 23 -12.508 -4.789 -13.505 1.00 0.00 C ATOM 361 O ASP A 23 -11.843 -5.563 -14.164 1.00 0.02 O ATOM 362 CB ASP A 23 -14.472 -6.308 -13.234 1.00 0.16 C ATOM 363 CG ASP A 23 -13.693 -7.601 -13.479 1.00 0.17 C ATOM 364 OD1 ASP A 23 -13.229 -8.183 -12.512 1.00 0.20 O ATOM 365 OD2 ASP A 23 -13.576 -7.989 -14.631 1.00 0.17 O ATOM 0 H ASP A 23 -14.938 -3.675 -12.771 1.00 0.01 H new ATOM 0 HA ASP A 23 -13.076 -5.767 -11.676 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -15.354 -6.512 -12.627 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -14.824 -5.898 -14.181 1.00 0.16 H new ATOM 370 N CYS A 24 -12.332 -3.499 -13.599 1.00 0.01 N ATOM 371 CA CYS A 24 -11.303 -2.947 -14.526 1.00 0.01 C ATOM 372 C CYS A 24 -10.939 -1.533 -14.062 1.00 0.01 C ATOM 373 O CYS A 24 -11.534 -1.010 -13.140 1.00 0.01 O ATOM 374 CB CYS A 24 -11.863 -2.894 -15.951 1.00 0.62 C ATOM 375 SG CYS A 24 -11.843 -4.556 -16.670 1.00 1.23 S ATOM 0 H CYS A 24 -12.858 -2.802 -13.072 1.00 0.01 H new ATOM 0 HA CYS A 24 -10.418 -3.583 -14.520 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -12.881 -2.504 -15.939 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -11.268 -2.215 -16.562 1.00 0.62 H new ATOM 0 HG CYS A 24 -11.836 -5.441 -15.718 1.00 1.23 H new ATOM 381 N ASP A 25 -9.972 -0.904 -14.674 1.00 0.02 N ATOM 382 CA ASP A 25 -9.593 0.472 -14.240 1.00 0.01 C ATOM 383 C ASP A 25 -10.779 1.423 -14.413 1.00 0.02 C ATOM 384 O ASP A 25 -11.538 1.318 -15.358 1.00 0.00 O ATOM 385 CB ASP A 25 -8.431 0.970 -15.103 1.00 0.01 C ATOM 386 CG ASP A 25 -8.771 0.766 -16.581 1.00 0.01 C ATOM 387 OD1 ASP A 25 -9.514 1.573 -17.113 1.00 0.01 O ATOM 388 OD2 ASP A 25 -8.283 -0.192 -17.154 1.00 0.01 O ATOM 0 H ASP A 25 -9.430 -1.281 -15.452 1.00 0.02 H new ATOM 0 HA ASP A 25 -9.300 0.445 -13.190 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -8.242 2.025 -14.904 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -7.519 0.430 -14.851 1.00 0.01 H new ATOM 393 N CYS A 26 -10.930 2.365 -13.514 1.00 0.01 N ATOM 394 CA CYS A 26 -12.050 3.356 -13.620 1.00 0.01 C ATOM 395 C CYS A 26 -11.479 4.763 -13.425 1.00 0.01 C ATOM 396 O CYS A 26 -10.916 5.077 -12.395 1.00 0.01 O ATOM 397 CB CYS A 26 -13.105 3.070 -12.549 1.00 0.01 C ATOM 398 SG CYS A 26 -14.555 4.116 -12.835 1.00 0.02 S ATOM 0 H CYS A 26 -10.322 2.492 -12.705 1.00 0.01 H new ATOM 0 HA CYS A 26 -12.520 3.278 -14.600 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.391 2.018 -12.577 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -12.694 3.263 -11.558 1.00 0.01 H new ATOM 0 HG CYS A 26 -15.541 3.702 -12.096 1.00 0.02 H new ATOM 404 N ALA A 27 -11.578 5.604 -14.421 1.00 0.01 N ATOM 405 CA ALA A 27 -11.001 6.973 -14.299 1.00 0.01 C ATOM 406 C ALA A 27 -11.911 7.879 -13.468 1.00 0.01 C ATOM 407 O ALA A 27 -11.464 8.833 -12.864 1.00 0.02 O ATOM 408 CB ALA A 27 -10.820 7.574 -15.695 1.00 0.24 C ATOM 0 H ALA A 27 -12.033 5.402 -15.311 1.00 0.01 H new ATOM 0 HA ALA A 27 -10.037 6.899 -13.796 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -10.398 8.575 -15.608 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -10.146 6.945 -16.277 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -11.787 7.630 -16.195 1.00 0.24 H new ATOM 414 N ASP A 28 -13.186 7.594 -13.427 1.00 0.01 N ATOM 415 CA ASP A 28 -14.119 8.444 -12.630 1.00 0.02 C ATOM 416 C ASP A 28 -15.320 7.597 -12.200 1.00 0.01 C ATOM 417 O ASP A 28 -16.225 7.343 -12.970 1.00 0.02 O ATOM 418 CB ASP A 28 -14.602 9.620 -13.484 1.00 0.67 C ATOM 419 CG ASP A 28 -14.993 9.114 -14.875 1.00 0.90 C ATOM 420 OD1 ASP A 28 -14.099 8.860 -15.665 1.00 1.14 O ATOM 421 OD2 ASP A 28 -16.180 8.987 -15.125 1.00 0.87 O ATOM 0 H ASP A 28 -13.622 6.809 -13.911 1.00 0.01 H new ATOM 0 HA ASP A 28 -13.604 8.829 -11.750 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -15.455 10.103 -13.008 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.816 10.371 -13.566 1.00 0.67 H new ATOM 426 N PHE A 29 -15.327 7.161 -10.967 1.00 0.02 N ATOM 427 CA PHE A 29 -16.453 6.326 -10.443 1.00 0.02 C ATOM 428 C PHE A 29 -17.357 7.178 -9.544 1.00 0.00 C ATOM 429 O PHE A 29 -18.225 6.687 -8.850 1.00 0.02 O ATOM 430 CB PHE A 29 -15.888 5.132 -9.664 1.00 2.87 C ATOM 431 CG PHE A 29 -15.292 5.590 -8.352 1.00 3.99 C ATOM 432 CD1 PHE A 29 -14.066 6.265 -8.337 1.00 4.68 C ATOM 433 CD2 PHE A 29 -15.962 5.331 -7.149 1.00 4.52 C ATOM 434 CE1 PHE A 29 -13.510 6.679 -7.121 1.00 5.85 C ATOM 435 CE2 PHE A 29 -15.407 5.746 -5.934 1.00 5.75 C ATOM 436 CZ PHE A 29 -14.182 6.419 -5.921 1.00 6.37 C ATOM 0 H PHE A 29 -14.589 7.351 -10.289 1.00 0.02 H new ATOM 0 HA PHE A 29 -17.048 5.951 -11.276 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -16.679 4.405 -9.477 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -15.127 4.629 -10.260 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -13.549 6.466 -9.264 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -16.908 4.810 -7.160 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -12.563 7.199 -7.109 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -15.924 5.547 -5.007 1.00 5.75 H new ATOM 0 HZ PHE A 29 -13.753 6.739 -4.983 1.00 6.37 H new ATOM 446 N ARG A 30 -17.125 8.463 -9.540 1.00 0.01 N ATOM 447 CA ARG A 30 -17.925 9.383 -8.682 1.00 0.00 C ATOM 448 C ARG A 30 -19.416 9.307 -9.027 1.00 0.01 C ATOM 449 O ARG A 30 -20.257 9.625 -8.209 1.00 0.02 O ATOM 450 CB ARG A 30 -17.441 10.819 -8.889 1.00 0.32 C ATOM 451 CG ARG A 30 -15.926 10.882 -8.684 1.00 0.86 C ATOM 452 CD ARG A 30 -15.490 12.341 -8.538 1.00 1.62 C ATOM 453 NE ARG A 30 -16.157 13.166 -9.585 1.00 2.25 N ATOM 454 CZ ARG A 30 -16.173 14.466 -9.478 1.00 2.70 C ATOM 455 NH1 ARG A 30 -15.602 15.044 -8.457 1.00 3.11 N ATOM 456 NH2 ARG A 30 -16.760 15.189 -10.392 1.00 3.02 N ATOM 0 H ARG A 30 -16.406 8.920 -10.102 1.00 0.01 H new ATOM 0 HA ARG A 30 -17.792 9.081 -7.643 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -17.697 11.159 -9.892 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -17.942 11.487 -8.188 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -15.645 10.317 -7.795 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -15.415 10.422 -9.529 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -15.750 12.712 -7.547 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -14.407 12.419 -8.633 1.00 1.62 H new ATOM 0 HE ARG A 30 -16.601 12.714 -10.385 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -15.143 14.479 -7.742 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -15.615 16.061 -8.374 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -17.206 14.738 -11.190 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -16.772 16.205 -10.308 1.00 3.02 H new ATOM 470 N SER A 31 -19.766 8.916 -10.225 1.00 0.02 N ATOM 471 CA SER A 31 -21.212 8.858 -10.592 1.00 0.02 C ATOM 472 C SER A 31 -21.875 7.642 -9.946 1.00 0.01 C ATOM 473 O SER A 31 -23.084 7.550 -9.867 1.00 0.02 O ATOM 474 CB SER A 31 -21.339 8.753 -12.112 1.00 0.37 C ATOM 475 OG SER A 31 -22.652 8.321 -12.443 1.00 0.88 O ATOM 0 H SER A 31 -19.118 8.636 -10.961 1.00 0.02 H new ATOM 0 HA SER A 31 -21.706 9.762 -10.236 1.00 0.02 H new ATOM 0 HB2 SER A 31 -21.134 9.719 -12.574 1.00 0.37 H new ATOM 0 HB3 SER A 31 -20.603 8.050 -12.503 1.00 0.37 H new ATOM 0 HG SER A 31 -22.738 8.254 -13.417 1.00 0.88 H new ATOM 481 N TYR A 32 -21.090 6.697 -9.499 1.00 0.01 N ATOM 482 CA TYR A 32 -21.659 5.465 -8.872 1.00 0.01 C ATOM 483 C TYR A 32 -21.471 5.530 -7.359 1.00 0.02 C ATOM 484 O TYR A 32 -22.148 4.852 -6.611 1.00 0.02 O ATOM 485 CB TYR A 32 -20.912 4.246 -9.414 1.00 0.02 C ATOM 486 CG TYR A 32 -21.000 4.225 -10.922 1.00 0.02 C ATOM 487 CD1 TYR A 32 -20.120 5.002 -11.684 1.00 0.01 C ATOM 488 CD2 TYR A 32 -21.961 3.428 -11.557 1.00 0.01 C ATOM 489 CE1 TYR A 32 -20.201 4.982 -13.081 1.00 0.02 C ATOM 490 CE2 TYR A 32 -22.040 3.409 -12.954 1.00 0.00 C ATOM 491 CZ TYR A 32 -21.161 4.185 -13.716 1.00 0.02 C ATOM 492 OH TYR A 32 -21.240 4.165 -15.093 1.00 0.02 O ATOM 0 H TYR A 32 -20.071 6.725 -9.541 1.00 0.01 H new ATOM 0 HA TYR A 32 -22.721 5.391 -9.105 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -19.868 4.278 -9.101 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -21.340 3.332 -9.002 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -19.379 5.617 -11.194 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -22.640 2.829 -10.969 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -19.523 5.582 -13.670 1.00 0.02 H new ATOM 0 HE2 TYR A 32 -22.781 2.794 -13.444 1.00 0.00 H new ATOM 0 HH TYR A 32 -21.959 3.560 -15.371 1.00 0.02 H new ATOM 502 N LEU A 33 -20.536 6.318 -6.899 1.00 0.02 N ATOM 503 CA LEU A 33 -20.276 6.406 -5.432 1.00 0.02 C ATOM 504 C LEU A 33 -19.785 7.821 -5.083 1.00 0.02 C ATOM 505 O LEU A 33 -18.856 8.337 -5.673 1.00 0.02 O ATOM 506 CB LEU A 33 -19.164 5.403 -5.094 1.00 1.66 C ATOM 507 CG LEU A 33 -19.195 5.055 -3.590 1.00 2.38 C ATOM 508 CD1 LEU A 33 -20.155 3.885 -3.329 1.00 3.32 C ATOM 509 CD2 LEU A 33 -17.788 4.662 -3.125 1.00 2.80 C ATOM 0 H LEU A 33 -19.938 6.907 -7.479 1.00 0.02 H new ATOM 0 HA LEU A 33 -21.185 6.189 -4.872 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -19.290 4.497 -5.687 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -18.193 5.824 -5.357 1.00 1.66 H new ATOM 0 HG LEU A 33 -19.540 5.929 -3.038 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -20.165 3.653 -2.264 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -21.160 4.160 -3.649 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -19.823 3.010 -3.888 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -17.811 4.417 -2.063 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -17.447 3.795 -3.691 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -17.104 5.495 -3.290 1.00 2.80 H new ATOM 521 N SER A 34 -20.431 8.451 -4.135 1.00 0.02 N ATOM 522 CA SER A 34 -20.045 9.840 -3.742 1.00 0.02 C ATOM 523 C SER A 34 -18.931 9.829 -2.688 1.00 0.00 C ATOM 524 O SER A 34 -18.334 10.847 -2.401 1.00 0.01 O ATOM 525 CB SER A 34 -21.269 10.556 -3.171 1.00 0.02 C ATOM 526 OG SER A 34 -20.886 11.847 -2.716 1.00 0.02 O ATOM 0 H SER A 34 -21.215 8.060 -3.613 1.00 0.02 H new ATOM 0 HA SER A 34 -19.676 10.359 -4.627 1.00 0.02 H new ATOM 0 HB2 SER A 34 -22.044 10.641 -3.933 1.00 0.02 H new ATOM 0 HB3 SER A 34 -21.692 9.979 -2.349 1.00 0.02 H new ATOM 0 HG SER A 34 -19.948 11.829 -2.431 1.00 0.02 H new ATOM 532 N ARG A 35 -18.639 8.695 -2.108 1.00 0.02 N ATOM 533 CA ARG A 35 -17.562 8.628 -1.074 1.00 0.01 C ATOM 534 C ARG A 35 -17.310 7.156 -0.743 1.00 0.02 C ATOM 535 O ARG A 35 -18.134 6.304 -1.011 1.00 0.02 O ATOM 536 CB ARG A 35 -18.012 9.364 0.190 1.00 0.02 C ATOM 537 CG ARG A 35 -16.961 9.180 1.288 1.00 0.02 C ATOM 538 CD ARG A 35 -17.222 10.181 2.416 1.00 0.02 C ATOM 539 NE ARG A 35 -18.674 10.182 2.751 1.00 0.02 N ATOM 540 CZ ARG A 35 -19.086 10.722 3.866 1.00 0.02 C ATOM 541 NH1 ARG A 35 -18.226 11.257 4.689 1.00 0.00 N ATOM 542 NH2 ARG A 35 -20.358 10.726 4.158 1.00 0.02 N ATOM 0 H ARG A 35 -19.102 7.808 -2.306 1.00 0.02 H new ATOM 0 HA ARG A 35 -16.652 9.096 -1.449 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -18.150 10.424 -0.023 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -18.975 8.979 0.525 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -16.998 8.162 1.675 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -15.962 9.329 0.879 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -16.635 9.916 3.295 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -16.907 11.179 2.111 1.00 0.02 H new ATOM 0 HE ARG A 35 -19.346 9.761 2.109 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -17.232 11.253 4.461 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.548 11.679 5.560 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -21.030 10.307 3.515 1.00 0.02 H new ATOM 0 HH22 ARG A 35 -20.680 11.148 5.029 1.00 0.02 H new ATOM 556 N CYS A 36 -16.183 6.840 -0.152 1.00 0.02 N ATOM 557 CA CYS A 36 -15.880 5.422 0.208 1.00 0.02 C ATOM 558 C CYS A 36 -15.146 5.401 1.554 1.00 0.02 C ATOM 559 O CYS A 36 -14.050 5.918 1.658 1.00 0.02 O ATOM 560 CB CYS A 36 -14.981 4.809 -0.874 1.00 0.02 C ATOM 561 SG CYS A 36 -13.791 6.052 -1.436 1.00 0.02 S ATOM 0 H CYS A 36 -15.456 7.510 0.098 1.00 0.02 H new ATOM 0 HA CYS A 36 -16.804 4.848 0.281 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -14.457 3.939 -0.478 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -15.586 4.462 -1.712 1.00 0.02 H new ATOM 0 HG CYS A 36 -13.305 6.683 -0.409 1.00 0.02 H new ATOM 567 N ASN A 37 -15.727 4.839 2.593 1.00 0.02 N ATOM 568 CA ASN A 37 -15.035 4.834 3.928 1.00 0.01 C ATOM 569 C ASN A 37 -14.511 3.434 4.251 1.00 0.02 C ATOM 570 O ASN A 37 -13.906 3.198 5.279 1.00 0.02 O ATOM 571 CB ASN A 37 -16.013 5.266 5.023 1.00 0.02 C ATOM 572 CG ASN A 37 -16.383 6.738 4.827 1.00 0.01 C ATOM 573 OD1 ASN A 37 -15.807 7.609 5.448 1.00 0.03 O ATOM 574 ND2 ASN A 37 -17.329 7.055 3.985 1.00 0.02 N ATOM 0 H ASN A 37 -16.642 4.388 2.576 1.00 0.02 H new ATOM 0 HA ASN A 37 -14.198 5.531 3.885 1.00 0.01 H new ATOM 0 HB2 ASN A 37 -16.910 4.647 4.989 1.00 0.02 H new ATOM 0 HB3 ASN A 37 -15.563 5.121 6.005 1.00 0.02 H new ATOM 0 HD21 ASN A 37 -17.584 8.033 3.849 1.00 0.02 H new ATOM 0 HD22 ASN A 37 -17.813 6.324 3.463 1.00 0.02 H new ATOM 581 N SER A 38 -14.715 2.515 3.352 1.00 0.02 N ATOM 582 CA SER A 38 -14.219 1.126 3.546 1.00 0.02 C ATOM 583 C SER A 38 -14.066 0.496 2.164 1.00 0.01 C ATOM 584 O SER A 38 -14.710 0.905 1.216 1.00 0.02 O ATOM 585 CB SER A 38 -15.203 0.316 4.391 1.00 0.01 C ATOM 586 OG SER A 38 -14.823 -1.054 4.375 1.00 0.02 O ATOM 0 H SER A 38 -15.213 2.670 2.476 1.00 0.02 H new ATOM 0 HA SER A 38 -13.264 1.135 4.072 1.00 0.02 H new ATOM 0 HB2 SER A 38 -15.214 0.690 5.415 1.00 0.01 H new ATOM 0 HB3 SER A 38 -16.214 0.429 4.000 1.00 0.01 H new ATOM 0 HG SER A 38 -13.876 -1.134 4.615 1.00 0.02 H new ATOM 592 N ILE A 39 -13.205 -0.478 2.024 1.00 0.02 N ATOM 593 CA ILE A 39 -13.000 -1.100 0.679 1.00 0.02 C ATOM 594 C ILE A 39 -12.681 -2.587 0.823 1.00 0.02 C ATOM 595 O ILE A 39 -12.034 -3.014 1.759 1.00 0.02 O ATOM 596 CB ILE A 39 -11.815 -0.415 -0.010 1.00 0.00 C ATOM 597 CG1 ILE A 39 -11.942 1.106 0.137 1.00 0.01 C ATOM 598 CG2 ILE A 39 -11.805 -0.782 -1.495 1.00 0.01 C ATOM 599 CD1 ILE A 39 -10.848 1.799 -0.680 1.00 0.00 C ATOM 0 H ILE A 39 -12.638 -0.869 2.776 1.00 0.02 H new ATOM 0 HA ILE A 39 -13.911 -0.981 0.093 1.00 0.02 H new ATOM 0 HB ILE A 39 -10.887 -0.748 0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.925 1.433 -0.203 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -11.858 1.387 1.187 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -10.962 -0.294 -1.985 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -11.711 -1.863 -1.602 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -12.735 -0.451 -1.958 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -10.943 2.880 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.869 1.483 -0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.952 1.529 -1.731 1.00 0.00 H new ATOM 611 N ARG A 40 -13.105 -3.366 -0.141 1.00 0.02 N ATOM 612 CA ARG A 40 -12.811 -4.829 -0.141 1.00 0.02 C ATOM 613 C ARG A 40 -12.114 -5.171 -1.459 1.00 0.01 C ATOM 614 O ARG A 40 -12.651 -4.932 -2.522 1.00 0.02 O ATOM 615 CB ARG A 40 -14.098 -5.650 -0.029 1.00 0.01 C ATOM 616 CG ARG A 40 -13.751 -7.108 0.299 1.00 0.02 C ATOM 617 CD ARG A 40 -15.041 -7.938 0.502 1.00 0.02 C ATOM 618 NE ARG A 40 -14.909 -8.804 1.717 1.00 0.02 N ATOM 619 CZ ARG A 40 -13.833 -9.520 1.927 1.00 0.02 C ATOM 620 NH1 ARG A 40 -12.892 -9.582 1.027 1.00 0.02 N ATOM 621 NH2 ARG A 40 -13.718 -10.203 3.032 1.00 0.02 N ATOM 0 H ARG A 40 -13.651 -3.043 -0.940 1.00 0.02 H new ATOM 0 HA ARG A 40 -12.179 -5.068 0.714 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -14.740 -5.235 0.748 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -14.656 -5.600 -0.964 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -13.158 -7.538 -0.508 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -13.139 -7.149 1.200 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -15.898 -7.273 0.611 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -15.227 -8.556 -0.376 1.00 0.02 H new ATOM 0 HE ARG A 40 -15.672 -8.837 2.394 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -12.990 -9.070 0.150 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -12.057 -10.142 1.200 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -14.464 -10.178 3.727 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -12.882 -10.763 3.201 1.00 0.02 H new ATOM 635 N VAL A 41 -10.956 -5.774 -1.407 1.00 0.02 N ATOM 636 CA VAL A 41 -10.265 -6.186 -2.666 1.00 0.01 C ATOM 637 C VAL A 41 -10.428 -7.697 -2.779 1.00 0.02 C ATOM 638 O VAL A 41 -9.923 -8.443 -1.967 1.00 0.02 O ATOM 639 CB VAL A 41 -8.791 -5.796 -2.611 1.00 0.01 C ATOM 640 CG1 VAL A 41 -8.148 -6.068 -3.974 1.00 0.02 C ATOM 641 CG2 VAL A 41 -8.685 -4.302 -2.299 1.00 0.00 C ATOM 0 H VAL A 41 -10.457 -6.000 -0.546 1.00 0.02 H new ATOM 0 HA VAL A 41 -10.694 -5.689 -3.536 1.00 0.01 H new ATOM 0 HB VAL A 41 -8.282 -6.376 -1.841 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -7.094 -5.791 -3.941 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -8.237 -7.128 -4.214 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -8.654 -5.479 -4.739 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -7.635 -4.013 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.188 -3.731 -3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.156 -4.097 -1.338 1.00 0.00 H new ATOM 651 N GLU A 42 -11.157 -8.153 -3.764 1.00 0.01 N ATOM 652 CA GLU A 42 -11.388 -9.615 -3.904 1.00 0.01 C ATOM 653 C GLU A 42 -10.225 -10.258 -4.647 1.00 0.02 C ATOM 654 O GLU A 42 -9.860 -11.384 -4.374 1.00 0.01 O ATOM 655 CB GLU A 42 -12.689 -9.856 -4.674 1.00 0.99 C ATOM 656 CG GLU A 42 -13.883 -9.559 -3.766 1.00 1.86 C ATOM 657 CD GLU A 42 -14.006 -10.659 -2.711 1.00 3.10 C ATOM 658 OE1 GLU A 42 -14.421 -11.750 -3.066 1.00 3.67 O ATOM 659 OE2 GLU A 42 -13.684 -10.393 -1.564 1.00 3.81 O ATOM 0 H GLU A 42 -11.601 -7.573 -4.476 1.00 0.01 H new ATOM 0 HA GLU A 42 -11.465 -10.061 -2.912 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -12.724 -9.219 -5.558 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -12.732 -10.888 -5.023 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -13.755 -8.590 -3.284 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -14.798 -9.502 -4.356 1.00 1.86 H new ATOM 666 N GLY A 43 -9.638 -9.577 -5.592 1.00 0.01 N ATOM 667 CA GLY A 43 -8.510 -10.208 -6.330 1.00 0.02 C ATOM 668 C GLY A 43 -7.705 -9.159 -7.082 1.00 0.02 C ATOM 669 O GLY A 43 -8.243 -8.154 -7.499 1.00 0.02 O ATOM 0 H GLY A 43 -9.884 -8.630 -5.881 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -7.863 -10.738 -5.631 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -8.896 -10.948 -7.031 1.00 0.02 H new ATOM 673 N GLY A 44 -6.436 -9.397 -7.279 1.00 0.00 N ATOM 674 CA GLY A 44 -5.601 -8.417 -8.028 1.00 0.01 C ATOM 675 C GLY A 44 -5.099 -7.318 -7.089 1.00 0.01 C ATOM 676 O GLY A 44 -5.520 -7.210 -5.954 1.00 0.01 O ATOM 0 H GLY A 44 -5.942 -10.228 -6.953 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.754 -8.927 -8.487 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -6.184 -7.976 -8.836 1.00 0.01 H new ATOM 680 N THR A 45 -4.221 -6.480 -7.582 1.00 0.01 N ATOM 681 CA THR A 45 -3.690 -5.340 -6.765 1.00 0.00 C ATOM 682 C THR A 45 -4.055 -4.039 -7.484 1.00 0.01 C ATOM 683 O THR A 45 -3.956 -3.955 -8.690 1.00 0.01 O ATOM 684 CB THR A 45 -2.165 -5.457 -6.654 1.00 0.73 C ATOM 685 OG1 THR A 45 -1.840 -6.582 -5.851 1.00 0.88 O ATOM 686 CG2 THR A 45 -1.592 -4.189 -6.012 1.00 1.48 C ATOM 0 H THR A 45 -3.844 -6.537 -8.528 1.00 0.01 H new ATOM 0 HA THR A 45 -4.118 -5.354 -5.763 1.00 0.00 H new ATOM 0 HB THR A 45 -1.738 -5.579 -7.649 1.00 0.73 H new ATOM 0 HG1 THR A 45 -0.866 -6.662 -5.779 1.00 0.88 H new ATOM 0 HG21 THR A 45 -0.508 -4.278 -5.936 1.00 1.48 H new ATOM 0 HG22 THR A 45 -1.843 -3.325 -6.627 1.00 1.48 H new ATOM 0 HG23 THR A 45 -2.017 -4.062 -5.016 1.00 1.48 H new ATOM 694 N TRP A 46 -4.544 -3.046 -6.773 1.00 0.02 N ATOM 695 CA TRP A 46 -4.982 -1.780 -7.452 1.00 0.01 C ATOM 696 C TRP A 46 -4.341 -0.538 -6.834 1.00 0.01 C ATOM 697 O TRP A 46 -4.002 -0.488 -5.669 1.00 0.01 O ATOM 698 CB TRP A 46 -6.502 -1.657 -7.325 1.00 0.00 C ATOM 699 CG TRP A 46 -7.153 -2.849 -7.950 1.00 0.01 C ATOM 700 CD1 TRP A 46 -7.062 -4.117 -7.486 1.00 0.01 C ATOM 701 CD2 TRP A 46 -7.992 -2.907 -9.138 1.00 0.01 C ATOM 702 NE1 TRP A 46 -7.792 -4.949 -8.313 1.00 0.00 N ATOM 703 CE2 TRP A 46 -8.385 -4.251 -9.348 1.00 0.01 C ATOM 704 CE3 TRP A 46 -8.447 -1.934 -10.046 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -9.199 -4.616 -10.420 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -9.267 -2.297 -11.126 1.00 0.02 C ATOM 707 CH2 TRP A 46 -9.643 -3.637 -11.314 1.00 0.01 C ATOM 0 H TRP A 46 -4.658 -3.057 -5.759 1.00 0.02 H new ATOM 0 HA TRP A 46 -4.669 -1.836 -8.495 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.785 -1.584 -6.275 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.846 -0.745 -7.812 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -6.509 -4.428 -6.612 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -7.882 -5.956 -8.176 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -8.164 -0.901 -9.911 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -9.485 -5.648 -10.559 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -9.611 -1.541 -11.817 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -10.274 -3.911 -12.147 1.00 0.01 H new ATOM 718 N ALA A 47 -4.248 0.492 -7.633 1.00 0.01 N ATOM 719 CA ALA A 47 -3.717 1.803 -7.165 1.00 0.01 C ATOM 720 C ALA A 47 -4.927 2.727 -7.102 1.00 0.01 C ATOM 721 O ALA A 47 -5.717 2.784 -8.023 1.00 0.01 O ATOM 722 CB ALA A 47 -2.684 2.342 -8.158 1.00 0.24 C ATOM 0 H ALA A 47 -4.525 0.477 -8.614 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.218 1.721 -6.199 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -2.304 3.300 -7.804 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -1.859 1.635 -8.245 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -3.152 2.475 -9.133 1.00 0.24 H new ATOM 728 N VAL A 48 -5.065 3.467 -6.031 1.00 0.01 N ATOM 729 CA VAL A 48 -6.216 4.418 -5.902 1.00 0.02 C ATOM 730 C VAL A 48 -5.675 5.841 -5.765 1.00 0.01 C ATOM 731 O VAL A 48 -4.647 6.060 -5.155 1.00 0.01 O ATOM 732 CB VAL A 48 -7.057 4.055 -4.676 1.00 0.09 C ATOM 733 CG1 VAL A 48 -7.544 2.611 -4.802 1.00 0.48 C ATOM 734 CG2 VAL A 48 -6.202 4.197 -3.416 1.00 0.65 C ATOM 0 H VAL A 48 -4.427 3.455 -5.235 1.00 0.01 H new ATOM 0 HA VAL A 48 -6.847 4.353 -6.789 1.00 0.02 H new ATOM 0 HB VAL A 48 -7.916 4.723 -4.611 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -8.143 2.352 -3.929 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -8.151 2.509 -5.702 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -6.686 1.942 -4.865 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -6.798 3.939 -2.541 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -5.344 3.527 -3.481 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -5.853 5.226 -3.327 1.00 0.65 H new ATOM 744 N TYR A 49 -6.354 6.805 -6.339 1.00 0.01 N ATOM 745 CA TYR A 49 -5.880 8.226 -6.261 1.00 0.01 C ATOM 746 C TYR A 49 -6.947 9.099 -5.597 1.00 0.01 C ATOM 747 O TYR A 49 -8.136 8.870 -5.710 1.00 0.02 O ATOM 748 CB TYR A 49 -5.596 8.743 -7.673 1.00 0.01 C ATOM 749 CG TYR A 49 -4.339 8.089 -8.206 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.339 6.722 -8.508 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.177 8.848 -8.400 1.00 0.01 C ATOM 752 CE1 TYR A 49 -3.179 6.115 -9.003 1.00 0.01 C ATOM 753 CE2 TYR A 49 -2.018 8.241 -8.896 1.00 0.01 C ATOM 754 CZ TYR A 49 -2.019 6.874 -9.198 1.00 0.02 C ATOM 755 OH TYR A 49 -0.875 6.275 -9.687 1.00 0.01 O ATOM 0 H TYR A 49 -7.220 6.670 -6.861 1.00 0.01 H new ATOM 0 HA TYR A 49 -4.968 8.269 -5.665 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -6.439 8.524 -8.329 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -5.477 9.826 -7.658 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.234 6.136 -8.359 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -3.176 9.902 -8.166 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -3.179 5.060 -9.235 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -1.123 8.827 -9.046 1.00 0.01 H new ATOM 0 HH TYR A 49 -0.163 6.944 -9.763 1.00 0.01 H new ATOM 765 N GLU A 50 -6.501 10.081 -4.861 1.00 0.01 N ATOM 766 CA GLU A 50 -7.430 10.976 -4.120 1.00 0.01 C ATOM 767 C GLU A 50 -8.279 11.807 -5.086 1.00 0.01 C ATOM 768 O GLU A 50 -9.417 12.116 -4.793 1.00 0.02 O ATOM 769 CB GLU A 50 -6.599 11.916 -3.237 1.00 0.02 C ATOM 770 CG GLU A 50 -7.488 12.532 -2.147 1.00 0.01 C ATOM 771 CD GLU A 50 -7.691 11.526 -1.009 1.00 0.02 C ATOM 772 OE1 GLU A 50 -7.448 10.351 -1.232 1.00 0.02 O ATOM 773 OE2 GLU A 50 -8.084 11.950 0.064 1.00 0.01 O ATOM 0 H GLU A 50 -5.513 10.303 -4.741 1.00 0.01 H new ATOM 0 HA GLU A 50 -8.101 10.368 -3.513 1.00 0.01 H new ATOM 0 HB2 GLU A 50 -5.776 11.367 -2.780 1.00 0.02 H new ATOM 0 HB3 GLU A 50 -6.156 12.704 -3.846 1.00 0.02 H new ATOM 0 HG2 GLU A 50 -7.028 13.442 -1.762 1.00 0.01 H new ATOM 0 HG3 GLU A 50 -8.452 12.816 -2.569 1.00 0.01 H new ATOM 780 N ARG A 51 -7.741 12.196 -6.223 1.00 0.02 N ATOM 781 CA ARG A 51 -8.532 13.036 -7.185 1.00 0.02 C ATOM 782 C ARG A 51 -8.548 12.355 -8.571 1.00 0.01 C ATOM 783 O ARG A 51 -7.681 11.553 -8.880 1.00 0.02 O ATOM 784 CB ARG A 51 -7.843 14.416 -7.286 1.00 0.02 C ATOM 785 CG ARG A 51 -8.470 15.399 -6.288 1.00 0.01 C ATOM 786 CD ARG A 51 -7.619 16.668 -6.218 1.00 0.02 C ATOM 787 NE ARG A 51 -8.117 17.536 -5.115 1.00 0.02 N ATOM 788 CZ ARG A 51 -7.380 18.519 -4.675 1.00 0.02 C ATOM 789 NH1 ARG A 51 -6.206 18.739 -5.199 1.00 0.02 N ATOM 790 NH2 ARG A 51 -7.816 19.283 -3.711 1.00 0.01 N ATOM 0 H ARG A 51 -6.793 11.969 -6.525 1.00 0.02 H new ATOM 0 HA ARG A 51 -9.560 13.151 -6.841 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -6.777 14.313 -7.084 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -7.940 14.805 -8.300 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -9.486 15.646 -6.595 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -8.538 14.939 -5.302 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -6.574 16.409 -6.049 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -7.665 17.203 -7.166 1.00 0.02 H new ATOM 0 HE ARG A 51 -9.034 17.362 -4.704 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -5.864 18.143 -5.953 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -5.630 19.507 -4.855 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -8.734 19.112 -3.300 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -7.239 20.051 -3.368 1.00 0.01 H new ATOM 804 N PRO A 52 -9.530 12.675 -9.403 1.00 0.02 N ATOM 805 CA PRO A 52 -9.637 12.065 -10.762 1.00 0.02 C ATOM 806 C PRO A 52 -8.353 12.207 -11.587 1.00 0.01 C ATOM 807 O PRO A 52 -7.462 12.971 -11.274 1.00 0.02 O ATOM 808 CB PRO A 52 -10.810 12.848 -11.398 1.00 0.02 C ATOM 809 CG PRO A 52 -11.262 13.938 -10.407 1.00 0.01 C ATOM 810 CD PRO A 52 -10.600 13.657 -9.051 1.00 0.01 C ATOM 0 HA PRO A 52 -9.799 10.988 -10.720 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -10.498 13.298 -12.341 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -11.637 12.175 -11.624 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -10.978 14.925 -10.772 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -12.347 13.935 -10.308 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -10.188 14.563 -8.607 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -11.308 13.244 -8.333 1.00 0.01 H new ATOM 818 N ASN A 53 -8.301 11.475 -12.667 1.00 0.02 N ATOM 819 CA ASN A 53 -7.135 11.537 -13.586 1.00 0.02 C ATOM 820 C ASN A 53 -5.862 11.055 -12.893 1.00 0.01 C ATOM 821 O ASN A 53 -4.778 11.547 -13.136 1.00 0.01 O ATOM 822 CB ASN A 53 -6.957 12.978 -14.073 1.00 0.01 C ATOM 823 CG ASN A 53 -8.330 13.597 -14.342 1.00 0.02 C ATOM 824 OD1 ASN A 53 -8.583 14.727 -13.972 1.00 0.02 O ATOM 825 ND2 ASN A 53 -9.235 12.901 -14.973 1.00 0.01 N ATOM 0 H ASN A 53 -9.033 10.825 -12.954 1.00 0.02 H new ATOM 0 HA ASN A 53 -7.321 10.880 -14.435 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -6.422 13.563 -13.325 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -6.354 12.995 -14.981 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -10.154 13.305 -15.155 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -9.024 11.953 -15.284 1.00 0.01 H new ATOM 832 N PHE A 54 -5.995 10.068 -12.050 1.00 0.02 N ATOM 833 CA PHE A 54 -4.811 9.505 -11.348 1.00 0.01 C ATOM 834 C PHE A 54 -3.917 10.625 -10.814 1.00 0.01 C ATOM 835 O PHE A 54 -2.725 10.656 -11.048 1.00 0.02 O ATOM 836 CB PHE A 54 -4.029 8.617 -12.326 1.00 1.78 C ATOM 837 CG PHE A 54 -5.004 7.901 -13.236 1.00 2.32 C ATOM 838 CD1 PHE A 54 -6.016 7.106 -12.686 1.00 2.53 C ATOM 839 CD2 PHE A 54 -4.898 8.034 -14.628 1.00 2.77 C ATOM 840 CE1 PHE A 54 -6.924 6.446 -13.524 1.00 3.03 C ATOM 841 CE2 PHE A 54 -5.806 7.376 -15.465 1.00 3.32 C ATOM 842 CZ PHE A 54 -6.819 6.582 -14.914 1.00 3.39 C ATOM 0 H PHE A 54 -6.883 9.624 -11.816 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.144 8.909 -10.498 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -3.341 9.223 -12.915 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -3.427 7.893 -11.777 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -6.097 7.001 -11.614 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -4.115 8.644 -15.054 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -7.705 5.833 -13.099 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -5.725 7.481 -16.537 1.00 3.32 H new ATOM 0 HZ PHE A 54 -7.519 6.074 -15.561 1.00 3.39 H new ATOM 852 N SER A 55 -4.508 11.547 -10.091 1.00 0.02 N ATOM 853 CA SER A 55 -3.731 12.694 -9.515 1.00 0.02 C ATOM 854 C SER A 55 -3.972 12.778 -8.005 1.00 0.01 C ATOM 855 O SER A 55 -4.895 12.182 -7.480 1.00 0.01 O ATOM 856 CB SER A 55 -4.196 13.993 -10.173 1.00 1.90 C ATOM 857 OG SER A 55 -3.810 13.990 -11.541 1.00 2.33 O ATOM 0 H SER A 55 -5.504 11.555 -9.873 1.00 0.02 H new ATOM 0 HA SER A 55 -2.668 12.542 -9.701 1.00 0.02 H new ATOM 0 HB2 SER A 55 -5.278 14.090 -10.089 1.00 1.90 H new ATOM 0 HB3 SER A 55 -3.758 14.850 -9.661 1.00 1.90 H new ATOM 0 HG SER A 55 -4.181 13.198 -11.984 1.00 2.33 H new ATOM 863 N GLY A 56 -3.139 13.499 -7.294 1.00 0.02 N ATOM 864 CA GLY A 56 -3.304 13.610 -5.814 1.00 0.02 C ATOM 865 C GLY A 56 -2.562 12.462 -5.121 1.00 0.02 C ATOM 866 O GLY A 56 -1.689 11.843 -5.698 1.00 0.00 O ATOM 0 H GLY A 56 -2.349 14.017 -7.679 1.00 0.02 H new ATOM 0 HA2 GLY A 56 -2.917 14.568 -5.467 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -4.362 13.581 -5.554 1.00 0.02 H new ATOM 870 N HIS A 57 -2.885 12.182 -3.889 1.00 0.02 N ATOM 871 CA HIS A 57 -2.177 11.085 -3.162 1.00 0.02 C ATOM 872 C HIS A 57 -2.479 9.737 -3.819 1.00 0.01 C ATOM 873 O HIS A 57 -3.597 9.470 -4.206 1.00 0.01 O ATOM 874 CB HIS A 57 -2.645 11.059 -1.707 1.00 0.00 C ATOM 875 CG HIS A 57 -2.512 12.433 -1.114 1.00 0.01 C ATOM 876 ND1 HIS A 57 -3.605 13.142 -0.639 1.00 0.01 N ATOM 877 CD2 HIS A 57 -1.423 13.243 -0.909 1.00 0.01 C ATOM 878 CE1 HIS A 57 -3.154 14.322 -0.179 1.00 0.02 C ATOM 879 NE2 HIS A 57 -1.829 14.436 -0.319 1.00 0.01 N ATOM 0 H HIS A 57 -3.607 12.663 -3.353 1.00 0.02 H new ATOM 0 HA HIS A 57 -1.103 11.265 -3.201 1.00 0.02 H new ATOM 0 HB2 HIS A 57 -3.682 10.727 -1.653 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.051 10.345 -1.135 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.405 12.992 -1.167 1.00 0.01 H new ATOM 0 HE1 HIS A 57 -3.785 15.085 0.251 1.00 0.02 H new ATOM 0 HE2 HIS A 57 -1.243 15.227 -0.051 1.00 0.01 H new ATOM 887 N MET A 58 -1.483 8.885 -3.940 1.00 0.02 N ATOM 888 CA MET A 58 -1.688 7.537 -4.568 1.00 0.02 C ATOM 889 C MET A 58 -1.363 6.439 -3.547 1.00 0.01 C ATOM 890 O MET A 58 -0.394 6.521 -2.818 1.00 0.01 O ATOM 891 CB MET A 58 -0.754 7.401 -5.777 1.00 2.61 C ATOM 892 CG MET A 58 0.709 7.561 -5.339 1.00 3.46 C ATOM 893 SD MET A 58 1.355 5.959 -4.793 1.00 4.50 S ATOM 894 CE MET A 58 2.049 5.436 -6.381 1.00 5.01 C ATOM 0 H MET A 58 -0.530 9.069 -3.628 1.00 0.02 H new ATOM 0 HA MET A 58 -2.725 7.436 -4.888 1.00 0.02 H new ATOM 0 HB2 MET A 58 -0.896 6.428 -6.247 1.00 2.61 H new ATOM 0 HB3 MET A 58 -1.002 8.155 -6.524 1.00 2.61 H new ATOM 0 HG2 MET A 58 1.307 7.944 -6.166 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.780 8.288 -4.530 1.00 3.46 H new ATOM 0 HE1 MET A 58 2.507 4.453 -6.272 1.00 5.01 H new ATOM 0 HE2 MET A 58 1.255 5.386 -7.126 1.00 5.01 H new ATOM 0 HE3 MET A 58 2.803 6.154 -6.703 1.00 5.01 H new ATOM 904 N TYR A 59 -2.178 5.414 -3.490 1.00 0.02 N ATOM 905 CA TYR A 59 -1.946 4.293 -2.519 1.00 0.01 C ATOM 906 C TYR A 59 -2.134 2.946 -3.227 1.00 0.01 C ATOM 907 O TYR A 59 -3.042 2.761 -4.014 1.00 0.02 O ATOM 908 CB TYR A 59 -2.954 4.391 -1.375 1.00 0.01 C ATOM 909 CG TYR A 59 -2.666 5.623 -0.551 1.00 0.01 C ATOM 910 CD1 TYR A 59 -1.720 5.571 0.479 1.00 0.01 C ATOM 911 CD2 TYR A 59 -3.347 6.816 -0.816 1.00 0.01 C ATOM 912 CE1 TYR A 59 -1.455 6.712 1.245 1.00 0.02 C ATOM 913 CE2 TYR A 59 -3.083 7.958 -0.051 1.00 0.01 C ATOM 914 CZ TYR A 59 -2.137 7.905 0.980 1.00 0.01 C ATOM 915 OH TYR A 59 -1.875 9.031 1.735 1.00 0.01 O ATOM 0 H TYR A 59 -3.003 5.303 -4.080 1.00 0.02 H new ATOM 0 HA TYR A 59 -0.931 4.366 -2.129 1.00 0.01 H new ATOM 0 HB2 TYR A 59 -3.968 4.436 -1.773 1.00 0.01 H new ATOM 0 HB3 TYR A 59 -2.897 3.501 -0.749 1.00 0.01 H new ATOM 0 HD1 TYR A 59 -1.194 4.650 0.683 1.00 0.01 H new ATOM 0 HD2 TYR A 59 -4.077 6.856 -1.611 1.00 0.01 H new ATOM 0 HE1 TYR A 59 -0.725 6.672 2.040 1.00 0.02 H new ATOM 0 HE2 TYR A 59 -3.608 8.879 -0.256 1.00 0.01 H new ATOM 0 HH TYR A 59 -2.433 9.773 1.420 1.00 0.01 H new ATOM 925 N ILE A 60 -1.272 2.002 -2.936 1.00 0.02 N ATOM 926 CA ILE A 60 -1.368 0.645 -3.560 1.00 0.01 C ATOM 927 C ILE A 60 -2.141 -0.282 -2.614 1.00 0.01 C ATOM 928 O ILE A 60 -1.877 -0.321 -1.428 1.00 0.01 O ATOM 929 CB ILE A 60 0.043 0.089 -3.782 1.00 0.45 C ATOM 930 CG1 ILE A 60 0.928 1.164 -4.428 1.00 1.35 C ATOM 931 CG2 ILE A 60 -0.024 -1.135 -4.696 1.00 1.21 C ATOM 932 CD1 ILE A 60 0.228 1.748 -5.659 1.00 1.72 C ATOM 0 H ILE A 60 -0.496 2.116 -2.284 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.885 0.710 -4.517 1.00 0.01 H new ATOM 0 HB ILE A 60 0.469 -0.200 -2.821 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.137 1.956 -3.708 1.00 1.35 H new ATOM 0 HG13 ILE A 60 1.887 0.733 -4.715 1.00 1.35 H new ATOM 0 HG21 ILE A 60 0.981 -1.528 -4.852 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -0.646 -1.901 -4.233 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -0.455 -0.849 -5.656 1.00 1.21 H new ATOM 0 HD11 ILE A 60 0.863 2.510 -6.111 1.00 1.72 H new ATOM 0 HD12 ILE A 60 0.042 0.954 -6.383 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -0.720 2.196 -5.360 1.00 1.72 H new ATOM 944 N LEU A 61 -3.116 -1.005 -3.121 1.00 0.01 N ATOM 945 CA LEU A 61 -3.938 -1.907 -2.241 1.00 0.01 C ATOM 946 C LEU A 61 -3.825 -3.388 -2.706 1.00 0.01 C ATOM 947 O LEU A 61 -4.363 -3.740 -3.740 1.00 0.00 O ATOM 948 CB LEU A 61 -5.421 -1.446 -2.340 1.00 0.01 C ATOM 949 CG LEU A 61 -5.916 -0.876 -0.997 1.00 0.02 C ATOM 950 CD1 LEU A 61 -7.213 -0.094 -1.218 1.00 0.01 C ATOM 951 CD2 LEU A 61 -6.187 -2.024 -0.019 1.00 0.01 C ATOM 0 H LEU A 61 -3.379 -1.010 -4.106 1.00 0.01 H new ATOM 0 HA LEU A 61 -3.576 -1.847 -1.215 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -5.518 -0.689 -3.118 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -6.048 -2.288 -2.634 1.00 0.01 H new ATOM 0 HG LEU A 61 -5.152 -0.215 -0.587 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -7.562 0.308 -0.267 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -7.030 0.725 -1.913 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -7.972 -0.758 -1.631 1.00 0.01 H new ATOM 0 HD21 LEU A 61 -6.537 -1.618 0.930 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -6.949 -2.684 -0.435 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -5.268 -2.588 0.144 1.00 0.01 H new ATOM 963 N PRO A 62 -3.177 -4.271 -1.954 1.00 0.02 N ATOM 964 CA PRO A 62 -3.106 -5.705 -2.358 1.00 0.01 C ATOM 965 C PRO A 62 -4.431 -6.417 -2.034 1.00 0.00 C ATOM 966 O PRO A 62 -5.279 -5.874 -1.353 1.00 0.02 O ATOM 967 CB PRO A 62 -1.953 -6.234 -1.492 1.00 1.47 C ATOM 968 CG PRO A 62 -1.742 -5.244 -0.332 1.00 1.29 C ATOM 969 CD PRO A 62 -2.466 -3.929 -0.683 1.00 0.82 C ATOM 0 HA PRO A 62 -2.945 -5.862 -3.424 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -2.188 -7.227 -1.109 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.043 -6.328 -2.084 1.00 1.47 H new ATOM 0 HG2 PRO A 62 -2.134 -5.658 0.597 1.00 1.29 H new ATOM 0 HG3 PRO A 62 -0.679 -5.062 -0.176 1.00 1.29 H new ATOM 0 HD2 PRO A 62 -3.161 -3.628 0.101 1.00 0.82 H new ATOM 0 HD3 PRO A 62 -1.765 -3.106 -0.821 1.00 0.82 H new ATOM 977 N GLN A 63 -4.625 -7.615 -2.516 1.00 0.02 N ATOM 978 CA GLN A 63 -5.902 -8.337 -2.232 1.00 0.00 C ATOM 979 C GLN A 63 -6.161 -8.397 -0.723 1.00 0.00 C ATOM 980 O GLN A 63 -5.253 -8.597 0.059 1.00 0.02 O ATOM 981 CB GLN A 63 -5.802 -9.762 -2.779 1.00 1.27 C ATOM 982 CG GLN A 63 -4.577 -10.455 -2.176 1.00 1.67 C ATOM 983 CD GLN A 63 -4.400 -11.829 -2.821 1.00 2.43 C ATOM 984 OE1 GLN A 63 -3.488 -12.034 -3.596 1.00 4.25 O ATOM 985 NE2 GLN A 63 -5.241 -12.787 -2.534 1.00 3.04 N ATOM 0 H GLN A 63 -3.957 -8.125 -3.093 1.00 0.02 H new ATOM 0 HA GLN A 63 -6.724 -7.804 -2.710 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.706 -10.321 -2.536 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -5.723 -9.741 -3.866 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -3.686 -9.848 -2.338 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -4.699 -10.560 -1.098 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -6.007 -12.615 -1.883 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -5.131 -13.707 -2.961 1.00 3.04 H new ATOM 994 N GLY A 64 -7.392 -8.235 -0.299 1.00 0.02 N ATOM 995 CA GLY A 64 -7.679 -8.301 1.165 1.00 0.01 C ATOM 996 C GLY A 64 -8.961 -7.530 1.499 1.00 0.02 C ATOM 997 O GLY A 64 -9.635 -7.004 0.635 1.00 0.02 O ATOM 0 H GLY A 64 -8.200 -8.062 -0.897 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -7.783 -9.341 1.474 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -6.841 -7.884 1.724 1.00 0.01 H new ATOM 1001 N GLU A 65 -9.304 -7.471 2.761 1.00 0.02 N ATOM 1002 CA GLU A 65 -10.544 -6.748 3.191 1.00 0.02 C ATOM 1003 C GLU A 65 -10.173 -5.618 4.153 1.00 0.02 C ATOM 1004 O GLU A 65 -9.452 -5.811 5.111 1.00 0.02 O ATOM 1005 CB GLU A 65 -11.468 -7.734 3.910 1.00 0.77 C ATOM 1006 CG GLU A 65 -12.713 -6.997 4.404 1.00 0.49 C ATOM 1007 CD GLU A 65 -13.752 -8.010 4.886 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -13.528 -8.613 5.922 1.00 0.71 O ATOM 1009 OE2 GLU A 65 -14.757 -8.164 4.211 1.00 0.96 O ATOM 0 H GLU A 65 -8.773 -7.897 3.521 1.00 0.02 H new ATOM 0 HA GLU A 65 -11.046 -6.331 2.318 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -11.754 -8.540 3.234 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -10.946 -8.192 4.750 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -12.448 -6.319 5.215 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -13.129 -6.388 3.602 1.00 0.49 H new ATOM 1016 N TYR A 66 -10.689 -4.438 3.903 1.00 0.02 N ATOM 1017 CA TYR A 66 -10.415 -3.266 4.787 1.00 0.02 C ATOM 1018 C TYR A 66 -11.765 -2.734 5.311 1.00 0.02 C ATOM 1019 O TYR A 66 -12.434 -1.982 4.624 1.00 0.02 O ATOM 1020 CB TYR A 66 -9.732 -2.182 3.952 1.00 0.01 C ATOM 1021 CG TYR A 66 -8.437 -2.729 3.404 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -8.445 -3.524 2.251 1.00 0.02 C ATOM 1023 CD2 TYR A 66 -7.229 -2.449 4.053 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -7.244 -4.038 1.748 1.00 0.02 C ATOM 1025 CE2 TYR A 66 -6.028 -2.963 3.549 1.00 0.02 C ATOM 1026 CZ TYR A 66 -6.036 -3.757 2.396 1.00 0.02 C ATOM 1027 OH TYR A 66 -4.852 -4.265 1.900 1.00 0.01 O ATOM 0 H TYR A 66 -11.298 -4.237 3.110 1.00 0.02 H new ATOM 0 HA TYR A 66 -9.774 -3.547 5.623 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -10.384 -1.868 3.136 1.00 0.01 H new ATOM 0 HB3 TYR A 66 -9.540 -1.300 4.564 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -9.377 -3.740 1.750 1.00 0.02 H new ATOM 0 HD2 TYR A 66 -7.223 -1.837 4.943 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -7.250 -4.652 0.859 1.00 0.02 H new ATOM 0 HE2 TYR A 66 -5.096 -2.747 4.050 1.00 0.02 H new ATOM 0 HH TYR A 66 -4.108 -3.974 2.468 1.00 0.01 H new ATOM 1037 N PRO A 67 -12.190 -3.126 6.503 1.00 0.01 N ATOM 1038 CA PRO A 67 -13.502 -2.656 7.039 1.00 0.02 C ATOM 1039 C PRO A 67 -13.541 -1.150 7.349 1.00 0.02 C ATOM 1040 O PRO A 67 -14.575 -0.625 7.710 1.00 0.02 O ATOM 1041 CB PRO A 67 -13.676 -3.500 8.322 1.00 0.02 C ATOM 1042 CG PRO A 67 -12.422 -4.382 8.505 1.00 0.02 C ATOM 1043 CD PRO A 67 -11.421 -4.055 7.381 1.00 0.01 C ATOM 0 HA PRO A 67 -14.303 -2.784 6.311 1.00 0.02 H new ATOM 0 HB2 PRO A 67 -13.811 -2.850 9.187 1.00 0.02 H new ATOM 0 HB3 PRO A 67 -14.568 -4.122 8.248 1.00 0.02 H new ATOM 0 HG2 PRO A 67 -11.969 -4.198 9.479 1.00 0.02 H new ATOM 0 HG3 PRO A 67 -12.694 -5.437 8.474 1.00 0.02 H new ATOM 0 HD2 PRO A 67 -10.517 -3.586 7.770 1.00 0.01 H new ATOM 0 HD3 PRO A 67 -11.110 -4.952 6.845 1.00 0.01 H new ATOM 1051 N GLU A 68 -12.451 -0.444 7.200 1.00 0.01 N ATOM 1052 CA GLU A 68 -12.477 1.022 7.479 1.00 0.01 C ATOM 1053 C GLU A 68 -11.317 1.674 6.727 1.00 0.03 C ATOM 1054 O GLU A 68 -10.343 1.040 6.379 1.00 0.02 O ATOM 1055 CB GLU A 68 -12.312 1.281 8.982 1.00 0.69 C ATOM 1056 CG GLU A 68 -13.565 0.826 9.735 1.00 1.09 C ATOM 1057 CD GLU A 68 -13.547 1.407 11.150 1.00 1.35 C ATOM 1058 OE1 GLU A 68 -13.245 2.582 11.281 1.00 2.02 O ATOM 1059 OE2 GLU A 68 -13.836 0.668 12.077 1.00 1.55 O ATOM 0 H GLU A 68 -11.550 -0.816 6.899 1.00 0.01 H new ATOM 0 HA GLU A 68 -13.430 1.439 7.155 1.00 0.01 H new ATOM 0 HB2 GLU A 68 -11.439 0.747 9.357 1.00 0.69 H new ATOM 0 HB3 GLU A 68 -12.137 2.342 9.159 1.00 0.69 H new ATOM 0 HG2 GLU A 68 -14.460 1.155 9.206 1.00 1.09 H new ATOM 0 HG3 GLU A 68 -13.602 -0.263 9.777 1.00 1.09 H new ATOM 1066 N TYR A 69 -11.450 2.938 6.433 1.00 0.02 N ATOM 1067 CA TYR A 69 -10.400 3.641 5.647 1.00 0.02 C ATOM 1068 C TYR A 69 -9.044 3.627 6.358 1.00 0.01 C ATOM 1069 O TYR A 69 -8.009 3.475 5.737 1.00 0.01 O ATOM 1070 CB TYR A 69 -10.850 5.075 5.363 1.00 0.02 C ATOM 1071 CG TYR A 69 -11.018 5.827 6.661 1.00 0.02 C ATOM 1072 CD1 TYR A 69 -12.191 5.672 7.413 1.00 0.02 C ATOM 1073 CD2 TYR A 69 -10.004 6.681 7.114 1.00 0.02 C ATOM 1074 CE1 TYR A 69 -12.348 6.371 8.615 1.00 0.02 C ATOM 1075 CE2 TYR A 69 -10.163 7.379 8.317 1.00 0.02 C ATOM 1076 CZ TYR A 69 -11.335 7.224 9.066 1.00 0.02 C ATOM 1077 OH TYR A 69 -11.489 7.911 10.253 1.00 0.01 O ATOM 0 H TYR A 69 -12.245 3.516 6.705 1.00 0.02 H new ATOM 0 HA TYR A 69 -10.267 3.109 4.705 1.00 0.02 H new ATOM 0 HB2 TYR A 69 -10.116 5.578 4.734 1.00 0.02 H new ATOM 0 HB3 TYR A 69 -11.791 5.068 4.812 1.00 0.02 H new ATOM 0 HD1 TYR A 69 -12.973 5.013 7.065 1.00 0.02 H new ATOM 0 HD2 TYR A 69 -9.100 6.801 6.535 1.00 0.02 H new ATOM 0 HE1 TYR A 69 -13.251 6.252 9.195 1.00 0.02 H new ATOM 0 HE2 TYR A 69 -9.381 8.037 8.667 1.00 0.02 H new ATOM 0 HH TYR A 69 -10.693 8.458 10.420 1.00 0.01 H new ATOM 1087 N GLN A 70 -9.035 3.792 7.655 1.00 0.01 N ATOM 1088 CA GLN A 70 -7.748 3.790 8.408 1.00 0.02 C ATOM 1089 C GLN A 70 -7.024 2.452 8.219 1.00 0.01 C ATOM 1090 O GLN A 70 -5.821 2.355 8.357 1.00 0.02 O ATOM 1091 CB GLN A 70 -8.037 3.995 9.898 1.00 0.01 C ATOM 1092 CG GLN A 70 -8.752 5.330 10.103 1.00 0.01 C ATOM 1093 CD GLN A 70 -8.741 5.695 11.588 1.00 0.02 C ATOM 1094 OE1 GLN A 70 -7.836 5.326 12.310 1.00 0.01 O ATOM 1095 NE2 GLN A 70 -9.716 6.411 12.079 1.00 0.02 N ATOM 0 H GLN A 70 -9.869 3.929 8.227 1.00 0.01 H new ATOM 0 HA GLN A 70 -7.116 4.595 8.032 1.00 0.02 H new ATOM 0 HB2 GLN A 70 -8.654 3.179 10.275 1.00 0.01 H new ATOM 0 HB3 GLN A 70 -7.106 3.979 10.465 1.00 0.01 H new ATOM 0 HG2 GLN A 70 -8.260 6.110 9.523 1.00 0.01 H new ATOM 0 HG3 GLN A 70 -9.778 5.264 9.742 1.00 0.01 H new ATOM 0 HE21 GLN A 70 -10.476 6.721 11.474 1.00 0.02 H new ATOM 0 HE22 GLN A 70 -9.718 6.660 13.068 1.00 0.02 H new ATOM 1104 N ARG A 71 -7.763 1.420 7.898 1.00 0.01 N ATOM 1105 CA ARG A 71 -7.135 0.081 7.693 1.00 0.02 C ATOM 1106 C ARG A 71 -6.306 0.111 6.410 1.00 0.01 C ATOM 1107 O ARG A 71 -5.437 -0.710 6.190 1.00 0.02 O ATOM 1108 CB ARG A 71 -8.225 -0.990 7.578 1.00 0.34 C ATOM 1109 CG ARG A 71 -9.068 -1.027 8.866 1.00 0.72 C ATOM 1110 CD ARG A 71 -8.367 -1.875 9.936 1.00 1.04 C ATOM 1111 NE ARG A 71 -9.267 -2.030 11.114 1.00 1.67 N ATOM 1112 CZ ARG A 71 -9.017 -2.946 12.009 1.00 2.47 C ATOM 1113 NH1 ARG A 71 -7.980 -3.727 11.871 1.00 2.54 N ATOM 1114 NH2 ARG A 71 -9.805 -3.083 13.040 1.00 3.42 N ATOM 0 H ARG A 71 -8.774 1.448 7.769 1.00 0.01 H new ATOM 0 HA ARG A 71 -6.492 -0.156 8.541 1.00 0.02 H new ATOM 0 HB2 ARG A 71 -8.865 -0.778 6.721 1.00 0.34 H new ATOM 0 HB3 ARG A 71 -7.771 -1.965 7.403 1.00 0.34 H new ATOM 0 HG2 ARG A 71 -9.221 -0.014 9.238 1.00 0.72 H new ATOM 0 HG3 ARG A 71 -10.054 -1.441 8.652 1.00 0.72 H new ATOM 0 HD2 ARG A 71 -8.110 -2.853 9.530 1.00 1.04 H new ATOM 0 HD3 ARG A 71 -7.433 -1.400 10.238 1.00 1.04 H new ATOM 0 HE ARG A 71 -10.078 -1.420 11.220 1.00 1.67 H new ATOM 0 HH11 ARG A 71 -7.366 -3.621 11.064 1.00 2.54 H new ATOM 0 HH12 ARG A 71 -7.784 -4.443 12.570 1.00 2.54 H new ATOM 0 HH21 ARG A 71 -10.616 -2.474 13.146 1.00 3.42 H new ATOM 0 HH22 ARG A 71 -9.610 -3.799 13.740 1.00 3.42 H new ATOM 1128 N TRP A 72 -6.580 1.067 5.566 1.00 0.02 N ATOM 1129 CA TRP A 72 -5.841 1.208 4.276 1.00 0.01 C ATOM 1130 C TRP A 72 -4.927 2.437 4.401 1.00 0.01 C ATOM 1131 O TRP A 72 -4.339 2.902 3.447 1.00 0.02 O ATOM 1132 CB TRP A 72 -6.896 1.366 3.152 1.00 0.02 C ATOM 1133 CG TRP A 72 -6.414 2.245 2.041 1.00 0.01 C ATOM 1134 CD1 TRP A 72 -5.360 1.984 1.235 1.00 0.01 C ATOM 1135 CD2 TRP A 72 -6.968 3.514 1.593 1.00 0.02 C ATOM 1136 NE1 TRP A 72 -5.226 3.020 0.329 1.00 0.02 N ATOM 1137 CE2 TRP A 72 -6.195 3.986 0.509 1.00 0.02 C ATOM 1138 CE3 TRP A 72 -8.056 4.295 2.023 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 -6.489 5.191 -0.128 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 -8.357 5.509 1.384 1.00 0.02 C ATOM 1141 CH2 TRP A 72 -7.574 5.957 0.311 1.00 0.02 C ATOM 0 H TRP A 72 -7.301 1.773 5.718 1.00 0.02 H new ATOM 0 HA TRP A 72 -5.219 0.344 4.041 1.00 0.01 H new ATOM 0 HB2 TRP A 72 -7.148 0.384 2.752 1.00 0.02 H new ATOM 0 HB3 TRP A 72 -7.811 1.783 3.572 1.00 0.02 H new ATOM 0 HD1 TRP A 72 -4.727 1.110 1.290 1.00 0.01 H new ATOM 0 HE1 TRP A 72 -4.499 3.065 -0.385 1.00 0.02 H new ATOM 0 HE3 TRP A 72 -8.664 3.959 2.850 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 -5.883 5.531 -0.955 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 -9.196 6.100 1.721 1.00 0.02 H new ATOM 0 HH2 TRP A 72 -7.808 6.892 -0.176 1.00 0.02 H new ATOM 1152 N MET A 73 -4.806 2.950 5.592 1.00 0.02 N ATOM 1153 CA MET A 73 -3.940 4.141 5.828 1.00 0.02 C ATOM 1154 C MET A 73 -4.442 5.340 5.011 1.00 0.01 C ATOM 1155 O MET A 73 -3.705 6.261 4.720 1.00 0.02 O ATOM 1156 CB MET A 73 -2.496 3.815 5.427 1.00 0.02 C ATOM 1157 CG MET A 73 -2.130 2.412 5.914 1.00 0.01 C ATOM 1158 SD MET A 73 -0.331 2.213 5.880 1.00 0.01 S ATOM 1159 CE MET A 73 -0.266 0.601 6.698 1.00 0.01 C ATOM 0 H MET A 73 -5.276 2.591 6.423 1.00 0.02 H new ATOM 0 HA MET A 73 -3.978 4.397 6.887 1.00 0.02 H new ATOM 0 HB2 MET A 73 -2.387 3.875 4.344 1.00 0.02 H new ATOM 0 HB3 MET A 73 -1.814 4.549 5.857 1.00 0.02 H new ATOM 0 HG2 MET A 73 -2.505 2.257 6.926 1.00 0.01 H new ATOM 0 HG3 MET A 73 -2.602 1.661 5.281 1.00 0.01 H new ATOM 0 HE1 MET A 73 0.772 0.278 6.784 1.00 0.01 H new ATOM 0 HE2 MET A 73 -0.706 0.680 7.692 1.00 0.01 H new ATOM 0 HE3 MET A 73 -0.825 -0.128 6.111 1.00 0.01 H new ATOM 1169 N GLY A 74 -5.693 5.322 4.635 1.00 0.02 N ATOM 1170 CA GLY A 74 -6.247 6.449 3.832 1.00 0.02 C ATOM 1171 C GLY A 74 -6.091 7.754 4.610 1.00 0.01 C ATOM 1172 O GLY A 74 -6.261 7.790 5.812 1.00 0.01 O ATOM 0 H GLY A 74 -6.354 4.576 4.849 1.00 0.02 H new ATOM 0 HA2 GLY A 74 -5.727 6.519 2.876 1.00 0.02 H new ATOM 0 HA3 GLY A 74 -7.299 6.269 3.610 1.00 0.02 H new ATOM 1176 N LEU A 75 -5.815 8.838 3.935 1.00 0.02 N ATOM 1177 CA LEU A 75 -5.706 10.142 4.653 1.00 0.02 C ATOM 1178 C LEU A 75 -7.131 10.655 4.900 1.00 0.01 C ATOM 1179 O LEU A 75 -7.412 11.292 5.896 1.00 0.02 O ATOM 1180 CB LEU A 75 -4.917 11.142 3.796 1.00 0.55 C ATOM 1181 CG LEU A 75 -4.646 12.432 4.598 1.00 0.58 C ATOM 1182 CD1 LEU A 75 -3.428 12.245 5.513 1.00 0.98 C ATOM 1183 CD2 LEU A 75 -4.365 13.587 3.630 1.00 0.42 C ATOM 0 H LEU A 75 -5.662 8.878 2.927 1.00 0.02 H new ATOM 0 HA LEU A 75 -5.180 10.021 5.600 1.00 0.02 H new ATOM 0 HB2 LEU A 75 -3.974 10.697 3.480 1.00 0.55 H new ATOM 0 HB3 LEU A 75 -5.477 11.378 2.891 1.00 0.55 H new ATOM 0 HG LEU A 75 -5.523 12.656 5.205 1.00 0.58 H new ATOM 0 HD11 LEU A 75 -3.249 13.163 6.072 1.00 0.98 H new ATOM 0 HD12 LEU A 75 -3.617 11.427 6.208 1.00 0.98 H new ATOM 0 HD13 LEU A 75 -2.551 12.012 4.909 1.00 0.98 H new ATOM 0 HD21 LEU A 75 -4.174 14.498 4.197 1.00 0.42 H new ATOM 0 HD22 LEU A 75 -3.493 13.348 3.022 1.00 0.42 H new ATOM 0 HD23 LEU A 75 -5.229 13.737 2.982 1.00 0.42 H new ATOM 1195 N ASN A 76 -8.037 10.348 4.006 1.00 0.01 N ATOM 1196 CA ASN A 76 -9.458 10.757 4.151 1.00 0.02 C ATOM 1197 C ASN A 76 -10.273 9.791 3.290 1.00 0.02 C ATOM 1198 O ASN A 76 -9.739 8.823 2.785 1.00 0.02 O ATOM 1199 CB ASN A 76 -9.644 12.195 3.659 1.00 0.02 C ATOM 1200 CG ASN A 76 -11.005 12.720 4.122 1.00 0.02 C ATOM 1201 OD1 ASN A 76 -11.764 13.251 3.335 1.00 0.01 O ATOM 1202 ND2 ASN A 76 -11.348 12.593 5.375 1.00 0.02 N ATOM 0 H ASN A 76 -7.839 9.815 3.159 1.00 0.01 H new ATOM 0 HA ASN A 76 -9.778 10.723 5.192 1.00 0.02 H new ATOM 0 HB2 ASN A 76 -8.847 12.829 4.046 1.00 0.02 H new ATOM 0 HB3 ASN A 76 -9.579 12.230 2.571 1.00 0.02 H new ATOM 0 HD21 ASN A 76 -12.253 12.939 5.694 1.00 0.02 H new ATOM 0 HD22 ASN A 76 -10.711 12.147 6.035 1.00 0.02 H new ATOM 1209 N ASP A 77 -11.551 10.016 3.121 1.00 0.01 N ATOM 1210 CA ASP A 77 -12.373 9.070 2.297 1.00 0.01 C ATOM 1211 C ASP A 77 -12.556 9.606 0.872 1.00 0.01 C ATOM 1212 O ASP A 77 -13.548 9.321 0.230 1.00 0.01 O ATOM 1213 CB ASP A 77 -13.751 8.912 2.943 1.00 0.01 C ATOM 1214 CG ASP A 77 -13.583 8.557 4.421 1.00 0.01 C ATOM 1215 OD1 ASP A 77 -12.938 7.560 4.703 1.00 0.01 O ATOM 1216 OD2 ASP A 77 -14.101 9.291 5.248 1.00 0.02 O ATOM 0 H ASP A 77 -12.061 10.807 3.514 1.00 0.01 H new ATOM 0 HA ASP A 77 -11.857 8.111 2.251 1.00 0.01 H new ATOM 0 HB2 ASP A 77 -14.320 9.836 2.842 1.00 0.01 H new ATOM 0 HB3 ASP A 77 -14.317 8.132 2.433 1.00 0.01 H new ATOM 1221 N ARG A 78 -11.630 10.391 0.368 1.00 0.01 N ATOM 1222 CA ARG A 78 -11.793 10.944 -1.017 1.00 0.01 C ATOM 1223 C ARG A 78 -11.031 10.092 -2.039 1.00 0.02 C ATOM 1224 O ARG A 78 -9.831 9.932 -1.957 1.00 0.02 O ATOM 1225 CB ARG A 78 -11.277 12.385 -1.052 1.00 0.43 C ATOM 1226 CG ARG A 78 -12.048 13.227 -0.037 1.00 0.80 C ATOM 1227 CD ARG A 78 -11.361 14.584 0.128 1.00 1.00 C ATOM 1228 NE ARG A 78 -11.379 15.311 -1.172 1.00 1.30 N ATOM 1229 CZ ARG A 78 -11.124 16.591 -1.209 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -10.853 17.236 -0.107 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -11.140 17.227 -2.349 1.00 3.20 N ATOM 0 H ARG A 78 -10.776 10.670 0.851 1.00 0.01 H new ATOM 0 HA ARG A 78 -12.851 10.925 -1.279 1.00 0.01 H new ATOM 0 HB2 ARG A 78 -10.211 12.407 -0.824 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -11.397 12.801 -2.052 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -13.076 13.366 -0.371 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -12.091 12.710 0.922 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -11.870 15.171 0.892 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -10.334 14.445 0.465 1.00 1.00 H new ATOM 0 HE ARG A 78 -11.591 14.808 -2.034 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -10.840 16.740 0.784 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -10.654 18.236 -0.137 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -11.352 16.724 -3.211 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -10.941 18.227 -2.378 1.00 3.20 H new ATOM 1245 N LEU A 79 -11.722 9.570 -3.019 1.00 0.01 N ATOM 1246 CA LEU A 79 -11.059 8.750 -4.084 1.00 0.01 C ATOM 1247 C LEU A 79 -11.774 9.046 -5.409 1.00 0.01 C ATOM 1248 O LEU A 79 -12.973 8.889 -5.514 1.00 0.02 O ATOM 1249 CB LEU A 79 -11.181 7.259 -3.740 1.00 1.04 C ATOM 1250 CG LEU A 79 -10.122 6.865 -2.692 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -10.365 5.413 -2.252 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -8.697 7.003 -3.277 1.00 2.61 C ATOM 0 H LEU A 79 -12.730 9.677 -3.130 1.00 0.01 H new ATOM 0 HA LEU A 79 -10.000 8.998 -4.160 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -12.179 7.048 -3.356 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -11.052 6.659 -4.641 1.00 1.04 H new ATOM 0 HG LEU A 79 -10.207 7.532 -1.834 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -9.619 5.128 -1.510 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -11.361 5.326 -1.817 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -10.288 4.753 -3.116 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -7.964 6.720 -2.521 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -8.595 6.350 -4.144 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -8.526 8.036 -3.579 1.00 2.61 H new ATOM 1264 N GLY A 80 -11.059 9.523 -6.406 1.00 0.02 N ATOM 1265 CA GLY A 80 -11.713 9.888 -7.711 1.00 0.02 C ATOM 1266 C GLY A 80 -11.353 8.921 -8.848 1.00 0.02 C ATOM 1267 O GLY A 80 -12.013 8.904 -9.869 1.00 0.01 O ATOM 0 H GLY A 80 -10.051 9.675 -6.373 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -12.795 9.900 -7.579 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -11.415 10.898 -7.991 1.00 0.02 H new ATOM 1271 N SER A 81 -10.330 8.118 -8.715 1.00 0.01 N ATOM 1272 CA SER A 81 -9.986 7.187 -9.837 1.00 0.01 C ATOM 1273 C SER A 81 -9.184 5.995 -9.312 1.00 0.02 C ATOM 1274 O SER A 81 -8.540 6.063 -8.282 1.00 0.01 O ATOM 1275 CB SER A 81 -9.162 7.937 -10.884 1.00 0.01 C ATOM 1276 OG SER A 81 -7.965 8.417 -10.283 1.00 0.01 O ATOM 0 H SER A 81 -9.726 8.064 -7.895 1.00 0.01 H new ATOM 0 HA SER A 81 -10.908 6.819 -10.288 1.00 0.01 H new ATOM 0 HB2 SER A 81 -8.925 7.277 -11.718 1.00 0.01 H new ATOM 0 HB3 SER A 81 -9.738 8.769 -11.290 1.00 0.01 H new ATOM 0 HG SER A 81 -8.011 9.392 -10.195 1.00 0.01 H new ATOM 1282 N CYS A 82 -9.219 4.896 -10.030 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.458 3.681 -9.594 1.00 0.01 C ATOM 1284 C CYS A 82 -7.918 2.930 -10.820 1.00 0.01 C ATOM 1285 O CYS A 82 -8.528 2.918 -11.869 1.00 0.01 O ATOM 1286 CB CYS A 82 -9.381 2.755 -8.799 1.00 0.01 C ATOM 1287 SG CYS A 82 -10.260 3.716 -7.543 1.00 0.02 S ATOM 0 H CYS A 82 -9.742 4.788 -10.899 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.622 3.993 -8.967 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -10.093 2.272 -9.468 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -8.800 1.963 -8.326 1.00 0.01 H new ATOM 0 HG CYS A 82 -9.667 4.861 -7.379 1.00 0.02 H new ATOM 1293 N ARG A 83 -6.779 2.293 -10.685 1.00 0.01 N ATOM 1294 CA ARG A 83 -6.189 1.528 -11.832 1.00 0.01 C ATOM 1295 C ARG A 83 -5.634 0.192 -11.327 1.00 0.01 C ATOM 1296 O ARG A 83 -5.097 0.098 -10.241 1.00 0.01 O ATOM 1297 CB ARG A 83 -5.023 2.315 -12.432 1.00 0.01 C ATOM 1298 CG ARG A 83 -5.548 3.563 -13.143 1.00 0.01 C ATOM 1299 CD ARG A 83 -4.373 4.469 -13.515 1.00 0.01 C ATOM 1300 NE ARG A 83 -3.301 3.657 -14.157 1.00 0.01 N ATOM 1301 CZ ARG A 83 -2.345 4.248 -14.821 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -2.334 5.549 -14.925 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -1.402 3.539 -15.382 1.00 0.01 N ATOM 0 H ARG A 83 -6.230 2.270 -9.826 1.00 0.01 H new ATOM 0 HA ARG A 83 -6.966 1.366 -12.579 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -4.323 2.601 -11.647 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -4.474 1.689 -13.135 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -6.100 3.279 -14.039 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -6.243 4.098 -12.496 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -4.706 5.253 -14.195 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -3.985 4.963 -12.624 1.00 0.01 H new ATOM 0 HE ARG A 83 -3.314 2.640 -14.078 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -3.071 6.102 -14.488 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -1.588 6.013 -15.443 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -1.412 2.522 -15.302 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -0.656 4.002 -15.901 1.00 0.01 H new ATOM 1317 N ALA A 84 -5.765 -0.848 -12.111 1.00 0.01 N ATOM 1318 CA ALA A 84 -5.252 -2.178 -11.682 1.00 0.01 C ATOM 1319 C ALA A 84 -3.737 -2.243 -11.905 1.00 0.01 C ATOM 1320 O ALA A 84 -3.234 -1.913 -12.962 1.00 0.00 O ATOM 1321 CB ALA A 84 -5.927 -3.273 -12.509 1.00 0.43 C ATOM 0 H ALA A 84 -6.206 -0.830 -13.030 1.00 0.01 H new ATOM 0 HA ALA A 84 -5.472 -2.324 -10.624 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -5.553 -4.248 -12.196 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -7.005 -3.232 -12.356 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -5.705 -3.121 -13.565 1.00 0.43 H new ATOM 1327 N VAL A 85 -3.015 -2.692 -10.914 1.00 0.01 N ATOM 1328 CA VAL A 85 -1.534 -2.818 -11.042 1.00 0.01 C ATOM 1329 C VAL A 85 -1.199 -4.220 -11.558 1.00 0.01 C ATOM 1330 O VAL A 85 -1.596 -5.208 -10.972 1.00 0.01 O ATOM 1331 CB VAL A 85 -0.876 -2.608 -9.676 1.00 0.98 C ATOM 1332 CG1 VAL A 85 0.640 -2.479 -9.851 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -1.422 -1.329 -9.035 1.00 1.12 C ATOM 0 H VAL A 85 -3.392 -2.980 -10.011 1.00 0.01 H new ATOM 0 HA VAL A 85 -1.161 -2.066 -11.737 1.00 0.01 H new ATOM 0 HB VAL A 85 -1.098 -3.461 -9.035 1.00 0.98 H new ATOM 0 HG11 VAL A 85 1.107 -2.329 -8.878 1.00 1.25 H new ATOM 0 HG12 VAL A 85 1.032 -3.388 -10.306 1.00 1.25 H new ATOM 0 HG13 VAL A 85 0.861 -1.627 -10.494 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -0.953 -1.181 -8.062 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -1.202 -0.477 -9.678 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -2.501 -1.418 -8.908 1.00 1.12 H new ATOM 1343 N HIS A 86 -0.470 -4.328 -12.637 1.00 0.01 N ATOM 1344 CA HIS A 86 -0.114 -5.680 -13.163 1.00 0.01 C ATOM 1345 C HIS A 86 1.233 -6.099 -12.577 1.00 0.01 C ATOM 1346 O HIS A 86 2.185 -5.343 -12.571 1.00 0.00 O ATOM 1347 CB HIS A 86 -0.001 -5.619 -14.689 1.00 0.21 C ATOM 1348 CG HIS A 86 -1.222 -4.948 -15.258 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -1.138 -3.956 -16.222 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -2.561 -5.118 -15.009 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -2.392 -3.571 -16.518 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -3.298 -4.247 -15.807 1.00 1.71 N ATOM 0 H HIS A 86 -0.106 -3.542 -13.176 1.00 0.01 H new ATOM 0 HA HIS A 86 -0.884 -6.399 -12.883 1.00 0.01 H new ATOM 0 HB2 HIS A 86 0.896 -5.069 -14.976 1.00 0.21 H new ATOM 0 HB3 HIS A 86 0.097 -6.625 -15.097 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -2.979 -5.820 -14.302 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -2.637 -2.808 -17.242 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -4.312 -4.147 -15.841 1.00 1.71 H new ATOM 1360 N LEU A 87 1.317 -7.306 -12.080 1.00 0.01 N ATOM 1361 CA LEU A 87 2.594 -7.802 -11.482 1.00 0.01 C ATOM 1362 C LEU A 87 3.330 -8.651 -12.521 1.00 0.01 C ATOM 1363 O LEU A 87 2.729 -9.431 -13.232 1.00 0.01 O ATOM 1364 CB LEU A 87 2.267 -8.667 -10.252 1.00 0.67 C ATOM 1365 CG LEU A 87 1.061 -8.088 -9.506 1.00 1.25 C ATOM 1366 CD1 LEU A 87 0.811 -8.907 -8.238 1.00 1.63 C ATOM 1367 CD2 LEU A 87 1.340 -6.631 -9.123 1.00 1.34 C ATOM 0 H LEU A 87 0.548 -7.976 -12.063 1.00 0.01 H new ATOM 0 HA LEU A 87 3.221 -6.962 -11.183 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.055 -9.690 -10.563 1.00 0.67 H new ATOM 0 HB3 LEU A 87 3.130 -8.708 -9.587 1.00 0.67 H new ATOM 0 HG LEU A 87 0.183 -8.129 -10.151 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -0.047 -8.498 -7.704 1.00 1.63 H new ATOM 0 HD12 LEU A 87 0.610 -9.944 -8.508 1.00 1.63 H new ATOM 0 HD13 LEU A 87 1.692 -8.864 -7.597 1.00 1.63 H new ATOM 0 HD21 LEU A 87 0.480 -6.223 -8.593 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.218 -6.586 -8.479 1.00 1.34 H new ATOM 0 HD23 LEU A 87 1.521 -6.046 -10.025 1.00 1.34 H new ATOM 1379 N SER A 88 4.635 -8.530 -12.591 1.00 0.01 N ATOM 1380 CA SER A 88 5.438 -9.348 -13.552 1.00 0.01 C ATOM 1381 C SER A 88 6.294 -10.333 -12.753 1.00 0.01 C ATOM 1382 O SER A 88 7.079 -9.916 -11.925 1.00 0.01 O ATOM 1383 CB SER A 88 6.346 -8.430 -14.372 1.00 0.81 C ATOM 1384 OG SER A 88 7.429 -7.996 -13.561 1.00 1.08 O ATOM 0 H SER A 88 5.183 -7.891 -12.015 1.00 0.01 H new ATOM 0 HA SER A 88 4.776 -9.889 -14.228 1.00 0.01 H new ATOM 0 HB2 SER A 88 6.722 -8.959 -15.248 1.00 0.81 H new ATOM 0 HB3 SER A 88 5.782 -7.571 -14.736 1.00 0.81 H new ATOM 0 HG SER A 88 7.314 -8.339 -12.650 1.00 1.08 H new ATOM 1390 N SER A 89 6.208 -11.616 -13.010 1.00 0.01 N ATOM 1391 CA SER A 89 7.087 -12.588 -12.277 1.00 0.01 C ATOM 1392 C SER A 89 8.012 -13.242 -13.300 1.00 0.01 C ATOM 1393 O SER A 89 7.568 -13.633 -14.361 1.00 0.01 O ATOM 1394 CB SER A 89 6.253 -13.684 -11.609 1.00 0.43 C ATOM 1395 OG SER A 89 5.537 -13.127 -10.515 1.00 1.26 O ATOM 0 H SER A 89 5.572 -12.032 -13.690 1.00 0.01 H new ATOM 0 HA SER A 89 7.646 -12.057 -11.507 1.00 0.01 H new ATOM 0 HB2 SER A 89 5.560 -14.119 -12.329 1.00 0.43 H new ATOM 0 HB3 SER A 89 6.900 -14.490 -11.263 1.00 0.43 H new ATOM 0 HG SER A 89 5.000 -13.826 -10.086 1.00 1.26 H new ATOM 1401 N GLY A 90 9.294 -13.336 -13.048 1.00 0.01 N ATOM 1402 CA GLY A 90 10.174 -13.937 -14.111 1.00 0.00 C ATOM 1403 C GLY A 90 11.493 -14.523 -13.564 1.00 0.00 C ATOM 1404 O GLY A 90 11.837 -15.644 -13.884 1.00 0.01 O ATOM 0 H GLY A 90 9.760 -13.038 -12.191 1.00 0.01 H new ATOM 0 HA2 GLY A 90 9.622 -14.724 -14.625 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.406 -13.173 -14.853 1.00 0.00 H new ATOM 1408 N GLY A 91 12.252 -13.808 -12.758 1.00 0.00 N ATOM 1409 CA GLY A 91 13.520 -14.410 -12.261 1.00 0.00 C ATOM 1410 C GLY A 91 14.106 -13.598 -11.100 1.00 0.00 C ATOM 1411 O GLY A 91 13.612 -13.667 -9.992 1.00 0.01 O ATOM 0 H GLY A 91 12.050 -12.862 -12.435 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.335 -15.434 -11.935 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.244 -14.460 -13.074 1.00 0.00 H new ATOM 1415 N GLN A 92 15.163 -12.848 -11.328 1.00 1.80 N ATOM 1416 CA GLN A 92 15.790 -12.052 -10.217 1.00 2.31 C ATOM 1417 C GLN A 92 15.783 -10.559 -10.560 1.00 1.91 C ATOM 1418 O GLN A 92 16.366 -10.119 -11.532 1.00 2.31 O ATOM 1419 CB GLN A 92 17.226 -12.541 -10.010 1.00 2.11 C ATOM 1420 CG GLN A 92 17.898 -11.704 -8.921 1.00 2.86 C ATOM 1421 CD GLN A 92 19.217 -12.363 -8.511 1.00 3.70 C ATOM 1422 OE1 GLN A 92 19.712 -13.237 -9.195 1.00 3.99 O ATOM 1423 NE2 GLN A 92 19.813 -11.977 -7.416 1.00 4.43 N ATOM 0 H GLN A 92 15.619 -12.753 -12.235 1.00 1.80 H new ATOM 0 HA GLN A 92 15.218 -12.191 -9.300 1.00 2.31 H new ATOM 0 HB2 GLN A 92 17.226 -13.593 -9.726 1.00 2.11 H new ATOM 0 HB3 GLN A 92 17.786 -12.462 -10.942 1.00 2.11 H new ATOM 0 HG2 GLN A 92 18.082 -10.694 -9.286 1.00 2.86 H new ATOM 0 HG3 GLN A 92 17.239 -11.616 -8.057 1.00 2.86 H new ATOM 0 HE21 GLN A 92 19.398 -11.243 -6.841 1.00 4.43 H new ATOM 0 HE22 GLN A 92 20.693 -12.409 -7.135 1.00 4.43 H new ATOM 1432 N ALA A 93 15.108 -9.786 -9.748 1.00 0.01 N ATOM 1433 CA ALA A 93 15.041 -8.318 -10.006 1.00 0.01 C ATOM 1434 C ALA A 93 16.351 -7.661 -9.551 1.00 0.01 C ATOM 1435 O ALA A 93 16.808 -7.869 -8.446 1.00 0.01 O ATOM 1436 CB ALA A 93 13.874 -7.712 -9.221 1.00 2.99 C ATOM 0 H ALA A 93 14.603 -10.107 -8.922 1.00 0.01 H new ATOM 0 HA ALA A 93 14.893 -8.144 -11.072 1.00 0.01 H new ATOM 0 HB1 ALA A 93 13.826 -6.640 -9.410 1.00 2.99 H new ATOM 0 HB2 ALA A 93 12.941 -8.178 -9.538 1.00 2.99 H new ATOM 0 HB3 ALA A 93 14.023 -7.886 -8.155 1.00 2.99 H new ATOM 1442 N LYS A 94 16.959 -6.876 -10.407 1.00 0.00 N ATOM 1443 CA LYS A 94 18.251 -6.199 -10.056 1.00 0.01 C ATOM 1444 C LYS A 94 18.154 -4.709 -10.411 1.00 0.01 C ATOM 1445 O LYS A 94 17.573 -4.345 -11.414 1.00 0.01 O ATOM 1446 CB LYS A 94 19.366 -6.861 -10.870 1.00 2.49 C ATOM 1447 CG LYS A 94 20.669 -6.073 -10.702 1.00 3.43 C ATOM 1448 CD LYS A 94 21.854 -6.883 -11.266 1.00 4.11 C ATOM 1449 CE LYS A 94 22.395 -7.847 -10.203 1.00 5.23 C ATOM 1450 NZ LYS A 94 23.612 -8.530 -10.729 1.00 6.36 N ATOM 0 H LYS A 94 16.613 -6.672 -11.345 1.00 0.00 H new ATOM 0 HA LYS A 94 18.461 -6.292 -8.990 1.00 0.01 H new ATOM 0 HB2 LYS A 94 19.508 -7.890 -10.540 1.00 2.49 H new ATOM 0 HB3 LYS A 94 19.087 -6.899 -11.923 1.00 2.49 H new ATOM 0 HG2 LYS A 94 20.594 -5.116 -11.219 1.00 3.43 H new ATOM 0 HG3 LYS A 94 20.837 -5.854 -9.648 1.00 3.43 H new ATOM 0 HD2 LYS A 94 21.535 -7.443 -12.145 1.00 4.11 H new ATOM 0 HD3 LYS A 94 22.645 -6.206 -11.589 1.00 4.11 H new ATOM 0 HE2 LYS A 94 22.636 -7.302 -9.290 1.00 5.23 H new ATOM 0 HE3 LYS A 94 21.635 -8.583 -9.943 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 23.912 -9.268 -10.061 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 23.396 -8.963 -11.650 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 24.377 -7.835 -10.844 1.00 6.36 H new ATOM 1464 N ILE A 95 18.706 -3.841 -9.588 1.00 0.00 N ATOM 1465 CA ILE A 95 18.633 -2.364 -9.874 1.00 0.01 C ATOM 1466 C ILE A 95 20.024 -1.733 -9.773 1.00 0.01 C ATOM 1467 O ILE A 95 20.842 -2.116 -8.956 1.00 0.01 O ATOM 1468 CB ILE A 95 17.691 -1.698 -8.864 1.00 0.34 C ATOM 1469 CG1 ILE A 95 17.716 -0.179 -9.063 1.00 0.30 C ATOM 1470 CG2 ILE A 95 18.132 -2.033 -7.439 1.00 0.36 C ATOM 1471 CD1 ILE A 95 16.562 0.460 -8.285 1.00 1.09 C ATOM 0 H ILE A 95 19.203 -4.090 -8.733 1.00 0.00 H new ATOM 0 HA ILE A 95 18.254 -2.216 -10.885 1.00 0.01 H new ATOM 0 HB ILE A 95 16.679 -2.070 -9.022 1.00 0.34 H new ATOM 0 HG12 ILE A 95 18.668 0.227 -8.721 1.00 0.30 H new ATOM 0 HG13 ILE A 95 17.630 0.061 -10.123 1.00 0.30 H new ATOM 0 HG21 ILE A 95 17.458 -1.556 -6.728 1.00 0.36 H new ATOM 0 HG22 ILE A 95 18.107 -3.113 -7.295 1.00 0.36 H new ATOM 0 HG23 ILE A 95 19.147 -1.669 -7.277 1.00 0.36 H new ATOM 0 HD11 ILE A 95 16.581 1.540 -8.428 1.00 1.09 H new ATOM 0 HD12 ILE A 95 15.614 0.063 -8.648 1.00 1.09 H new ATOM 0 HD13 ILE A 95 16.668 0.232 -7.224 1.00 1.09 H new ATOM 1483 N GLN A 96 20.274 -0.726 -10.582 1.00 0.01 N ATOM 1484 CA GLN A 96 21.580 0.008 -10.540 1.00 0.01 C ATOM 1485 C GLN A 96 21.272 1.485 -10.267 1.00 0.01 C ATOM 1486 O GLN A 96 20.383 2.046 -10.877 1.00 0.00 O ATOM 1487 CB GLN A 96 22.319 -0.142 -11.877 1.00 0.53 C ATOM 1488 CG GLN A 96 21.326 -0.039 -13.034 1.00 0.82 C ATOM 1489 CD GLN A 96 20.592 -1.373 -13.208 1.00 1.25 C ATOM 1490 OE1 GLN A 96 20.733 -2.271 -12.400 1.00 1.75 O ATOM 1491 NE2 GLN A 96 19.811 -1.543 -14.239 1.00 2.05 N ATOM 0 H GLN A 96 19.616 -0.378 -11.280 1.00 0.01 H new ATOM 0 HA GLN A 96 22.221 -0.400 -9.758 1.00 0.01 H new ATOM 0 HB2 GLN A 96 23.081 0.632 -11.970 1.00 0.53 H new ATOM 0 HB3 GLN A 96 22.834 -1.102 -11.912 1.00 0.53 H new ATOM 0 HG2 GLN A 96 20.609 0.759 -12.840 1.00 0.82 H new ATOM 0 HG3 GLN A 96 21.851 0.221 -13.954 1.00 0.82 H new ATOM 0 HE21 GLN A 96 19.691 -0.791 -14.918 1.00 2.05 H new ATOM 0 HE22 GLN A 96 19.320 -2.428 -14.366 1.00 2.05 H new ATOM 1500 N VAL A 97 21.979 2.130 -9.367 1.00 0.01 N ATOM 1501 CA VAL A 97 21.693 3.579 -9.076 1.00 0.01 C ATOM 1502 C VAL A 97 22.961 4.414 -9.261 1.00 0.01 C ATOM 1503 O VAL A 97 24.061 3.954 -9.026 1.00 0.01 O ATOM 1504 CB VAL A 97 21.195 3.721 -7.635 1.00 0.77 C ATOM 1505 CG1 VAL A 97 19.969 2.829 -7.428 1.00 1.10 C ATOM 1506 CG2 VAL A 97 22.301 3.295 -6.666 1.00 1.03 C ATOM 0 H VAL A 97 22.738 1.721 -8.823 1.00 0.01 H new ATOM 0 HA VAL A 97 20.929 3.936 -9.766 1.00 0.01 H new ATOM 0 HB VAL A 97 20.926 4.760 -7.447 1.00 0.77 H new ATOM 0 HG11 VAL A 97 19.615 2.930 -6.402 1.00 1.10 H new ATOM 0 HG12 VAL A 97 19.179 3.130 -8.116 1.00 1.10 H new ATOM 0 HG13 VAL A 97 20.239 1.790 -7.618 1.00 1.10 H new ATOM 0 HG21 VAL A 97 21.945 3.397 -5.641 1.00 1.03 H new ATOM 0 HG22 VAL A 97 22.570 2.256 -6.855 1.00 1.03 H new ATOM 0 HG23 VAL A 97 23.176 3.929 -6.811 1.00 1.03 H new ATOM 1516 N PHE A 98 22.804 5.639 -9.715 1.00 0.01 N ATOM 1517 CA PHE A 98 23.988 6.528 -9.962 1.00 0.01 C ATOM 1518 C PHE A 98 23.919 7.792 -9.096 1.00 0.01 C ATOM 1519 O PHE A 98 22.868 8.355 -8.862 1.00 0.01 O ATOM 1520 CB PHE A 98 24.008 6.931 -11.437 1.00 0.25 C ATOM 1521 CG PHE A 98 24.241 5.707 -12.291 1.00 0.36 C ATOM 1522 CD1 PHE A 98 23.175 4.853 -12.599 1.00 0.42 C ATOM 1523 CD2 PHE A 98 25.524 5.428 -12.779 1.00 0.58 C ATOM 1524 CE1 PHE A 98 23.392 3.720 -13.394 1.00 0.56 C ATOM 1525 CE2 PHE A 98 25.740 4.297 -13.575 1.00 0.73 C ATOM 1526 CZ PHE A 98 24.673 3.443 -13.882 1.00 0.69 C ATOM 0 H PHE A 98 21.900 6.063 -9.926 1.00 0.01 H new ATOM 0 HA PHE A 98 24.894 5.981 -9.702 1.00 0.01 H new ATOM 0 HB2 PHE A 98 23.064 7.403 -11.709 1.00 0.25 H new ATOM 0 HB3 PHE A 98 24.794 7.666 -11.614 1.00 0.25 H new ATOM 0 HD1 PHE A 98 22.185 5.068 -12.224 1.00 0.42 H new ATOM 0 HD2 PHE A 98 26.347 6.086 -12.541 1.00 0.58 H new ATOM 0 HE1 PHE A 98 22.570 3.060 -13.630 1.00 0.56 H new ATOM 0 HE2 PHE A 98 26.729 4.083 -13.952 1.00 0.73 H new ATOM 0 HZ PHE A 98 24.840 2.570 -14.496 1.00 0.69 H new ATOM 1536 N GLU A 99 25.053 8.207 -8.601 1.00 0.01 N ATOM 1537 CA GLU A 99 25.107 9.407 -7.712 1.00 0.01 C ATOM 1538 C GLU A 99 24.756 10.698 -8.472 1.00 0.01 C ATOM 1539 O GLU A 99 24.238 11.627 -7.887 1.00 0.01 O ATOM 1540 CB GLU A 99 26.515 9.537 -7.125 1.00 0.01 C ATOM 1541 CG GLU A 99 26.613 10.820 -6.295 1.00 0.01 C ATOM 1542 CD GLU A 99 27.858 10.760 -5.408 1.00 0.01 C ATOM 1543 OE1 GLU A 99 28.582 9.783 -5.504 1.00 0.02 O ATOM 1544 OE2 GLU A 99 28.064 11.689 -4.646 1.00 0.01 O ATOM 0 H GLU A 99 25.954 7.763 -8.775 1.00 0.01 H new ATOM 0 HA GLU A 99 24.371 9.271 -6.920 1.00 0.01 H new ATOM 0 HB2 GLU A 99 26.741 8.672 -6.502 1.00 0.01 H new ATOM 0 HB3 GLU A 99 27.253 9.554 -7.927 1.00 0.01 H new ATOM 0 HG2 GLU A 99 26.663 11.688 -6.952 1.00 0.01 H new ATOM 0 HG3 GLU A 99 25.721 10.937 -5.680 1.00 0.01 H new ATOM 1551 N LYS A 100 25.041 10.778 -9.754 1.00 0.01 N ATOM 1552 CA LYS A 100 24.730 12.033 -10.526 1.00 0.01 C ATOM 1553 C LYS A 100 23.689 11.748 -11.614 1.00 0.01 C ATOM 1554 O LYS A 100 23.357 10.613 -11.894 1.00 0.01 O ATOM 1555 CB LYS A 100 26.007 12.571 -11.186 1.00 0.94 C ATOM 1556 CG LYS A 100 27.106 12.776 -10.131 1.00 1.63 C ATOM 1557 CD LYS A 100 26.881 14.095 -9.380 1.00 2.19 C ATOM 1558 CE LYS A 100 28.076 14.368 -8.466 1.00 2.84 C ATOM 1559 NZ LYS A 100 27.841 15.624 -7.701 1.00 3.18 N ATOM 0 H LYS A 100 25.474 10.032 -10.299 1.00 0.01 H new ATOM 0 HA LYS A 100 24.332 12.773 -9.832 1.00 0.01 H new ATOM 0 HB2 LYS A 100 26.352 11.874 -11.949 1.00 0.94 H new ATOM 0 HB3 LYS A 100 25.795 13.515 -11.689 1.00 0.94 H new ATOM 0 HG2 LYS A 100 27.104 11.944 -9.427 1.00 1.63 H new ATOM 0 HG3 LYS A 100 28.084 12.785 -10.612 1.00 1.63 H new ATOM 0 HD2 LYS A 100 26.757 14.914 -10.089 1.00 2.19 H new ATOM 0 HD3 LYS A 100 25.965 14.040 -8.792 1.00 2.19 H new ATOM 0 HE2 LYS A 100 28.220 13.534 -7.780 1.00 2.84 H new ATOM 0 HE3 LYS A 100 28.987 14.455 -9.058 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 28.654 15.809 -7.080 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 27.724 16.417 -8.363 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 26.981 15.524 -7.125 1.00 3.18 H new ATOM 1573 N GLY A 101 23.162 12.783 -12.213 1.00 0.01 N ATOM 1574 CA GLY A 101 22.123 12.610 -13.273 1.00 0.01 C ATOM 1575 C GLY A 101 22.732 11.993 -14.536 1.00 0.00 C ATOM 1576 O GLY A 101 23.932 11.972 -14.724 1.00 0.01 O ATOM 0 H GLY A 101 23.409 13.752 -12.011 1.00 0.01 H new ATOM 0 HA2 GLY A 101 21.321 11.972 -12.902 1.00 0.01 H new ATOM 0 HA3 GLY A 101 21.677 13.575 -13.513 1.00 0.01 H new ATOM 1580 N ASP A 102 21.890 11.513 -15.414 1.00 0.01 N ATOM 1581 CA ASP A 102 22.366 10.913 -16.694 1.00 0.00 C ATOM 1582 C ASP A 102 23.352 9.769 -16.443 1.00 0.00 C ATOM 1583 O ASP A 102 24.302 9.578 -17.174 1.00 0.01 O ATOM 1584 CB ASP A 102 23.045 11.996 -17.534 1.00 0.01 C ATOM 1585 CG ASP A 102 22.173 13.251 -17.552 1.00 0.01 C ATOM 1586 OD1 ASP A 102 21.037 13.153 -17.989 1.00 0.01 O ATOM 1587 OD2 ASP A 102 22.653 14.289 -17.129 1.00 0.01 O ATOM 0 H ASP A 102 20.877 11.512 -15.295 1.00 0.01 H new ATOM 0 HA ASP A 102 21.505 10.506 -17.224 1.00 0.00 H new ATOM 0 HB2 ASP A 102 24.027 12.229 -17.121 1.00 0.01 H new ATOM 0 HB3 ASP A 102 23.204 11.636 -18.551 1.00 0.01 H new ATOM 1592 N PHE A 103 23.100 8.984 -15.431 1.00 0.01 N ATOM 1593 CA PHE A 103 23.980 7.816 -15.137 1.00 0.01 C ATOM 1594 C PHE A 103 25.450 8.235 -15.057 1.00 0.00 C ATOM 1595 O PHE A 103 26.296 7.677 -15.726 1.00 0.01 O ATOM 1596 CB PHE A 103 23.808 6.770 -16.243 1.00 0.01 C ATOM 1597 CG PHE A 103 22.346 6.656 -16.606 1.00 0.00 C ATOM 1598 CD1 PHE A 103 21.473 5.943 -15.779 1.00 0.01 C ATOM 1599 CD2 PHE A 103 21.864 7.267 -17.771 1.00 0.01 C ATOM 1600 CE1 PHE A 103 20.118 5.838 -16.114 1.00 0.01 C ATOM 1601 CE2 PHE A 103 20.509 7.163 -18.107 1.00 0.01 C ATOM 1602 CZ PHE A 103 19.635 6.448 -17.278 1.00 0.01 C ATOM 0 H PHE A 103 22.316 9.103 -14.790 1.00 0.01 H new ATOM 0 HA PHE A 103 23.692 7.399 -14.172 1.00 0.01 H new ATOM 0 HB2 PHE A 103 24.390 7.053 -17.120 1.00 0.01 H new ATOM 0 HB3 PHE A 103 24.187 5.805 -15.907 1.00 0.01 H new ATOM 0 HD1 PHE A 103 21.845 5.473 -14.881 1.00 0.01 H new ATOM 0 HD2 PHE A 103 22.538 7.818 -18.410 1.00 0.01 H new ATOM 0 HE1 PHE A 103 19.445 5.286 -15.474 1.00 0.01 H new ATOM 0 HE2 PHE A 103 20.138 7.634 -19.005 1.00 0.01 H new ATOM 0 HZ PHE A 103 18.590 6.367 -17.537 1.00 0.01 H new ATOM 1612 N ASN A 104 25.762 9.191 -14.220 1.00 0.00 N ATOM 1613 CA ASN A 104 27.181 9.636 -14.053 1.00 0.01 C ATOM 1614 C ASN A 104 27.506 9.630 -12.558 1.00 0.01 C ATOM 1615 O ASN A 104 26.623 9.553 -11.727 1.00 0.01 O ATOM 1616 CB ASN A 104 27.354 11.056 -14.603 1.00 1.68 C ATOM 1617 CG ASN A 104 27.371 11.011 -16.132 1.00 2.31 C ATOM 1618 OD1 ASN A 104 26.261 11.201 -16.791 1.00 3.15 O flip ATOM 1619 ND2 ASN A 104 28.406 10.805 -16.734 1.00 2.38 N flip ATOM 0 H ASN A 104 25.088 9.688 -13.638 1.00 0.00 H new ATOM 0 HA ASN A 104 27.848 8.966 -14.596 1.00 0.01 H new ATOM 0 HB2 ASN A 104 26.541 11.694 -14.256 1.00 1.68 H new ATOM 0 HB3 ASN A 104 28.281 11.491 -14.231 1.00 1.68 H new ATOM 0 HD21 ASN A 104 29.274 10.656 -16.220 1.00 2.38 H new ATOM 0 HD22 ASN A 104 28.407 10.781 -17.754 1.00 2.38 H new ATOM 1626 N GLY A 105 28.760 9.694 -12.197 1.00 0.01 N ATOM 1627 CA GLY A 105 29.121 9.683 -10.746 1.00 0.01 C ATOM 1628 C GLY A 105 29.378 8.245 -10.302 1.00 0.01 C ATOM 1629 O GLY A 105 29.559 7.361 -11.115 1.00 0.01 O ATOM 0 H GLY A 105 29.549 9.753 -12.841 1.00 0.01 H new ATOM 0 HA2 GLY A 105 30.008 10.293 -10.575 1.00 0.01 H new ATOM 0 HA3 GLY A 105 28.316 10.120 -10.156 1.00 0.01 H new ATOM 1633 N GLN A 106 29.385 7.993 -9.024 1.00 0.01 N ATOM 1634 CA GLN A 106 29.616 6.604 -8.547 1.00 0.01 C ATOM 1635 C GLN A 106 28.339 5.792 -8.756 1.00 0.01 C ATOM 1636 O GLN A 106 27.238 6.293 -8.625 1.00 0.01 O ATOM 1637 CB GLN A 106 29.971 6.633 -7.059 1.00 0.01 C ATOM 1638 CG GLN A 106 30.281 5.213 -6.582 1.00 0.01 C ATOM 1639 CD GLN A 106 30.935 5.270 -5.200 1.00 0.01 C ATOM 1640 OE1 GLN A 106 31.719 4.297 -4.821 1.00 0.01 O flip ATOM 1641 NE2 GLN A 106 30.729 6.208 -4.456 1.00 0.01 N flip ATOM 0 H GLN A 106 29.241 8.688 -8.291 1.00 0.01 H new ATOM 0 HA GLN A 106 30.436 6.149 -9.103 1.00 0.01 H new ATOM 0 HB2 GLN A 106 30.832 7.280 -6.892 1.00 0.01 H new ATOM 0 HB3 GLN A 106 29.143 7.049 -6.485 1.00 0.01 H new ATOM 0 HG2 GLN A 106 29.365 4.625 -6.538 1.00 0.01 H new ATOM 0 HG3 GLN A 106 30.945 4.717 -7.290 1.00 0.01 H new ATOM 0 HE21 GLN A 106 30.117 6.968 -4.751 1.00 0.01 H new ATOM 0 HE22 GLN A 106 31.168 6.235 -3.536 1.00 0.01 H new ATOM 1650 N MET A 107 28.491 4.537 -9.095 1.00 0.01 N ATOM 1651 CA MET A 107 27.306 3.654 -9.337 1.00 0.01 C ATOM 1652 C MET A 107 27.287 2.518 -8.311 1.00 0.01 C ATOM 1653 O MET A 107 28.311 1.973 -7.947 1.00 0.01 O ATOM 1654 CB MET A 107 27.400 3.052 -10.742 1.00 0.00 C ATOM 1655 CG MET A 107 26.080 2.363 -11.095 1.00 0.01 C ATOM 1656 SD MET A 107 26.307 1.347 -12.577 1.00 0.01 S ATOM 1657 CE MET A 107 26.837 -0.164 -11.736 1.00 0.01 C ATOM 0 H MET A 107 29.395 4.080 -9.216 1.00 0.01 H new ATOM 0 HA MET A 107 26.395 4.245 -9.244 1.00 0.01 H new ATOM 0 HB2 MET A 107 27.620 3.833 -11.469 1.00 0.00 H new ATOM 0 HB3 MET A 107 28.220 2.335 -10.787 1.00 0.00 H new ATOM 0 HG2 MET A 107 25.748 1.742 -10.263 1.00 0.01 H new ATOM 0 HG3 MET A 107 25.303 3.108 -11.267 1.00 0.01 H new ATOM 0 HE1 MET A 107 27.036 -0.941 -12.474 1.00 0.01 H new ATOM 0 HE2 MET A 107 27.745 0.036 -11.167 1.00 0.01 H new ATOM 0 HE3 MET A 107 26.051 -0.499 -11.060 1.00 0.01 H new ATOM 1667 N TYR A 108 26.114 2.149 -7.861 1.00 0.01 N ATOM 1668 CA TYR A 108 25.971 1.034 -6.874 1.00 0.00 C ATOM 1669 C TYR A 108 24.878 0.083 -7.378 1.00 0.01 C ATOM 1670 O TYR A 108 23.853 0.506 -7.876 1.00 0.01 O ATOM 1671 CB TYR A 108 25.565 1.598 -5.510 1.00 0.54 C ATOM 1672 CG TYR A 108 26.762 2.245 -4.853 1.00 0.60 C ATOM 1673 CD1 TYR A 108 27.744 1.448 -4.256 1.00 1.24 C ATOM 1674 CD2 TYR A 108 26.888 3.639 -4.840 1.00 0.93 C ATOM 1675 CE1 TYR A 108 28.856 2.045 -3.648 1.00 1.76 C ATOM 1676 CE2 TYR A 108 27.998 4.237 -4.232 1.00 1.51 C ATOM 1677 CZ TYR A 108 28.983 3.440 -3.635 1.00 1.82 C ATOM 1678 OH TYR A 108 30.076 4.031 -3.034 1.00 2.48 O ATOM 0 H TYR A 108 25.234 2.581 -8.141 1.00 0.01 H new ATOM 0 HA TYR A 108 26.918 0.504 -6.770 1.00 0.00 H new ATOM 0 HB2 TYR A 108 24.765 2.328 -5.631 1.00 0.54 H new ATOM 0 HB3 TYR A 108 25.176 0.801 -4.876 1.00 0.54 H new ATOM 0 HD1 TYR A 108 27.645 0.373 -4.264 1.00 1.24 H new ATOM 0 HD2 TYR A 108 26.128 4.254 -5.299 1.00 0.93 H new ATOM 0 HE1 TYR A 108 29.616 1.430 -3.189 1.00 1.76 H new ATOM 0 HE2 TYR A 108 28.095 5.313 -4.223 1.00 1.51 H new ATOM 0 HH TYR A 108 30.896 3.726 -3.475 1.00 2.48 H new ATOM 1688 N GLU A 109 25.116 -1.200 -7.287 1.00 0.01 N ATOM 1689 CA GLU A 109 24.129 -2.214 -7.791 1.00 0.01 C ATOM 1690 C GLU A 109 23.639 -3.093 -6.640 1.00 0.01 C ATOM 1691 O GLU A 109 24.417 -3.560 -5.833 1.00 0.01 O ATOM 1692 CB GLU A 109 24.842 -3.072 -8.840 1.00 0.01 C ATOM 1693 CG GLU A 109 23.814 -3.855 -9.658 1.00 0.01 C ATOM 1694 CD GLU A 109 24.518 -4.554 -10.820 1.00 0.00 C ATOM 1695 OE1 GLU A 109 25.010 -5.653 -10.617 1.00 0.00 O ATOM 1696 OE2 GLU A 109 24.554 -3.979 -11.897 1.00 0.00 O ATOM 0 H GLU A 109 25.963 -1.598 -6.880 1.00 0.01 H new ATOM 0 HA GLU A 109 23.262 -1.717 -8.227 1.00 0.01 H new ATOM 0 HB2 GLU A 109 25.437 -2.438 -9.498 1.00 0.01 H new ATOM 0 HB3 GLU A 109 25.532 -3.760 -8.352 1.00 0.01 H new ATOM 0 HG2 GLU A 109 23.313 -4.589 -9.027 1.00 0.01 H new ATOM 0 HG3 GLU A 109 23.044 -3.182 -10.036 1.00 0.01 H new ATOM 1703 N THR A 110 22.346 -3.321 -6.550 1.00 0.01 N ATOM 1704 CA THR A 110 21.820 -4.173 -5.440 1.00 0.00 C ATOM 1705 C THR A 110 20.559 -4.934 -5.874 1.00 0.01 C ATOM 1706 O THR A 110 19.771 -4.479 -6.685 1.00 0.01 O ATOM 1707 CB THR A 110 21.481 -3.299 -4.231 1.00 1.21 C ATOM 1708 OG1 THR A 110 20.947 -4.112 -3.196 1.00 1.65 O ATOM 1709 CG2 THR A 110 20.452 -2.242 -4.636 1.00 1.69 C ATOM 0 H THR A 110 21.642 -2.956 -7.192 1.00 0.01 H new ATOM 0 HA THR A 110 22.593 -4.895 -5.177 1.00 0.00 H new ATOM 0 HB THR A 110 22.385 -2.804 -3.875 1.00 1.21 H new ATOM 0 HG1 THR A 110 20.731 -3.554 -2.420 1.00 1.65 H new ATOM 0 HG21 THR A 110 20.211 -1.620 -3.774 1.00 1.69 H new ATOM 0 HG22 THR A 110 20.864 -1.619 -5.430 1.00 1.69 H new ATOM 0 HG23 THR A 110 19.547 -2.733 -4.993 1.00 1.69 H new ATOM 1717 N THR A 111 20.388 -6.107 -5.318 1.00 0.00 N ATOM 1718 CA THR A 111 19.208 -6.970 -5.645 1.00 0.01 C ATOM 1719 C THR A 111 18.264 -7.069 -4.439 1.00 0.01 C ATOM 1720 O THR A 111 17.362 -7.881 -4.426 1.00 0.01 O ATOM 1721 CB THR A 111 19.699 -8.371 -6.017 1.00 0.01 C ATOM 1722 OG1 THR A 111 20.199 -9.020 -4.856 1.00 0.01 O ATOM 1723 CG2 THR A 111 20.808 -8.263 -7.063 1.00 0.01 C ATOM 0 H THR A 111 21.030 -6.512 -4.637 1.00 0.00 H new ATOM 0 HA THR A 111 18.666 -6.527 -6.481 1.00 0.01 H new ATOM 0 HB THR A 111 18.872 -8.950 -6.428 1.00 0.01 H new ATOM 0 HG1 THR A 111 20.512 -9.918 -5.092 1.00 0.01 H new ATOM 0 HG21 THR A 111 21.157 -9.261 -7.327 1.00 0.01 H new ATOM 0 HG22 THR A 111 20.422 -7.766 -7.953 1.00 0.01 H new ATOM 0 HG23 THR A 111 21.637 -7.685 -6.656 1.00 0.01 H new ATOM 1731 N GLU A 112 18.483 -6.277 -3.413 1.00 0.01 N ATOM 1732 CA GLU A 112 17.613 -6.357 -2.186 1.00 0.01 C ATOM 1733 C GLU A 112 16.923 -5.018 -1.900 1.00 0.01 C ATOM 1734 O GLU A 112 17.324 -3.978 -2.385 1.00 0.01 O ATOM 1735 CB GLU A 112 18.488 -6.726 -0.986 1.00 0.85 C ATOM 1736 CG GLU A 112 18.944 -8.180 -1.114 1.00 1.61 C ATOM 1737 CD GLU A 112 19.802 -8.557 0.093 1.00 2.51 C ATOM 1738 OE1 GLU A 112 20.889 -8.015 0.214 1.00 3.07 O ATOM 1739 OE2 GLU A 112 19.357 -9.382 0.876 1.00 3.21 O ATOM 0 H GLU A 112 19.225 -5.579 -3.370 1.00 0.01 H new ATOM 0 HA GLU A 112 16.844 -7.110 -2.358 1.00 0.01 H new ATOM 0 HB2 GLU A 112 19.354 -6.065 -0.937 1.00 0.85 H new ATOM 0 HB3 GLU A 112 17.930 -6.589 -0.060 1.00 0.85 H new ATOM 0 HG2 GLU A 112 18.078 -8.839 -1.177 1.00 1.61 H new ATOM 0 HG3 GLU A 112 19.514 -8.313 -2.034 1.00 1.61 H new ATOM 1746 N ASP A 113 15.897 -5.043 -1.084 1.00 0.01 N ATOM 1747 CA ASP A 113 15.176 -3.786 -0.716 1.00 0.01 C ATOM 1748 C ASP A 113 16.118 -2.923 0.123 1.00 0.00 C ATOM 1749 O ASP A 113 17.028 -3.424 0.754 1.00 0.01 O ATOM 1750 CB ASP A 113 13.940 -4.138 0.119 1.00 0.01 C ATOM 1751 CG ASP A 113 14.292 -5.253 1.108 1.00 0.01 C ATOM 1752 OD1 ASP A 113 15.354 -5.174 1.704 1.00 0.00 O ATOM 1753 OD2 ASP A 113 13.491 -6.164 1.254 1.00 0.00 O ATOM 0 H ASP A 113 15.525 -5.890 -0.653 1.00 0.01 H new ATOM 0 HA ASP A 113 14.867 -3.250 -1.614 1.00 0.01 H new ATOM 0 HB2 ASP A 113 13.589 -3.258 0.657 1.00 0.01 H new ATOM 0 HB3 ASP A 113 13.127 -4.459 -0.533 1.00 0.01 H new ATOM 1758 N CYS A 114 15.887 -1.626 0.159 1.00 0.01 N ATOM 1759 CA CYS A 114 16.748 -0.718 0.983 1.00 0.01 C ATOM 1760 C CYS A 114 15.857 0.077 1.977 1.00 0.01 C ATOM 1761 O CYS A 114 15.037 0.872 1.553 1.00 0.01 O ATOM 1762 CB CYS A 114 17.469 0.267 0.054 1.00 0.01 C ATOM 1763 SG CYS A 114 16.271 1.389 -0.705 1.00 0.01 S ATOM 0 H CYS A 114 15.136 -1.160 -0.350 1.00 0.01 H new ATOM 0 HA CYS A 114 17.478 -1.307 1.538 1.00 0.01 H new ATOM 0 HB2 CYS A 114 18.208 0.837 0.617 1.00 0.01 H new ATOM 0 HB3 CYS A 114 18.010 -0.279 -0.719 1.00 0.01 H new ATOM 0 HG CYS A 114 16.050 1.022 -1.933 1.00 0.01 H new ATOM 1769 N PRO A 115 16.005 -0.089 3.285 1.00 0.01 N ATOM 1770 CA PRO A 115 15.176 0.703 4.238 1.00 0.01 C ATOM 1771 C PRO A 115 15.705 2.139 4.343 1.00 0.01 C ATOM 1772 O PRO A 115 14.957 3.071 4.571 1.00 0.01 O ATOM 1773 CB PRO A 115 15.364 -0.066 5.554 1.00 0.01 C ATOM 1774 CG PRO A 115 16.632 -0.928 5.413 1.00 0.01 C ATOM 1775 CD PRO A 115 16.962 -1.053 3.912 1.00 0.01 C ATOM 0 HA PRO A 115 14.131 0.801 3.946 1.00 0.01 H new ATOM 0 HB2 PRO A 115 15.462 0.626 6.391 1.00 0.01 H new ATOM 0 HB3 PRO A 115 14.496 -0.693 5.759 1.00 0.01 H new ATOM 0 HG2 PRO A 115 17.464 -0.471 5.949 1.00 0.01 H new ATOM 0 HG3 PRO A 115 16.473 -1.913 5.851 1.00 0.01 H new ATOM 0 HD2 PRO A 115 17.999 -0.790 3.702 1.00 0.01 H new ATOM 0 HD3 PRO A 115 16.811 -2.069 3.547 1.00 0.01 H new ATOM 1783 N SER A 116 16.993 2.316 4.198 1.00 0.01 N ATOM 1784 CA SER A 116 17.588 3.683 4.293 1.00 0.02 C ATOM 1785 C SER A 116 18.740 3.797 3.289 1.00 0.01 C ATOM 1786 O SER A 116 19.780 3.181 3.435 1.00 0.00 O ATOM 1787 CB SER A 116 18.108 3.904 5.717 1.00 0.01 C ATOM 1788 OG SER A 116 18.731 2.713 6.180 1.00 0.01 O ATOM 0 H SER A 116 17.662 1.568 4.017 1.00 0.01 H new ATOM 0 HA SER A 116 16.836 4.438 4.064 1.00 0.02 H new ATOM 0 HB2 SER A 116 18.819 4.730 5.733 1.00 0.01 H new ATOM 0 HB3 SER A 116 17.286 4.179 6.378 1.00 0.01 H new ATOM 0 HG SER A 116 18.261 2.386 6.975 1.00 0.01 H new ATOM 1794 N ILE A 117 18.532 4.559 2.248 1.00 0.01 N ATOM 1795 CA ILE A 117 19.572 4.713 1.190 1.00 0.01 C ATOM 1796 C ILE A 117 20.825 5.387 1.753 1.00 0.01 C ATOM 1797 O ILE A 117 21.930 5.039 1.386 1.00 0.00 O ATOM 1798 CB ILE A 117 18.998 5.562 0.050 1.00 0.57 C ATOM 1799 CG1 ILE A 117 17.884 4.774 -0.644 1.00 1.44 C ATOM 1800 CG2 ILE A 117 20.095 5.895 -0.967 1.00 0.93 C ATOM 1801 CD1 ILE A 117 17.123 5.693 -1.604 1.00 1.83 C ATOM 0 H ILE A 117 17.675 5.087 2.084 1.00 0.01 H new ATOM 0 HA ILE A 117 19.852 3.726 0.821 1.00 0.01 H new ATOM 0 HB ILE A 117 18.602 6.492 0.458 1.00 0.57 H new ATOM 0 HG12 ILE A 117 18.308 3.932 -1.191 1.00 1.44 H new ATOM 0 HG13 ILE A 117 17.201 4.361 0.098 1.00 1.44 H new ATOM 0 HG21 ILE A 117 19.674 6.498 -1.772 1.00 0.93 H new ATOM 0 HG22 ILE A 117 20.891 6.452 -0.474 1.00 0.93 H new ATOM 0 HG23 ILE A 117 20.501 4.971 -1.380 1.00 0.93 H new ATOM 0 HD11 ILE A 117 16.331 5.129 -2.096 1.00 1.83 H new ATOM 0 HD12 ILE A 117 16.686 6.521 -1.046 1.00 1.83 H new ATOM 0 HD13 ILE A 117 17.810 6.084 -2.354 1.00 1.83 H new ATOM 1813 N MET A 118 20.672 6.362 2.607 1.00 0.02 N ATOM 1814 CA MET A 118 21.877 7.056 3.140 1.00 0.01 C ATOM 1815 C MET A 118 22.673 6.109 4.035 1.00 0.01 C ATOM 1816 O MET A 118 23.883 6.129 4.042 1.00 0.02 O ATOM 1817 CB MET A 118 21.466 8.301 3.932 1.00 0.24 C ATOM 1818 CG MET A 118 22.712 9.067 4.390 1.00 0.63 C ATOM 1819 SD MET A 118 23.384 8.296 5.883 1.00 1.20 S ATOM 1820 CE MET A 118 24.748 9.457 6.144 1.00 1.34 C ATOM 0 H MET A 118 19.776 6.704 2.955 1.00 0.02 H new ATOM 0 HA MET A 118 22.502 7.363 2.302 1.00 0.01 H new ATOM 0 HB2 MET A 118 20.840 8.945 3.314 1.00 0.24 H new ATOM 0 HB3 MET A 118 20.869 8.011 4.797 1.00 0.24 H new ATOM 0 HG2 MET A 118 23.462 9.067 3.599 1.00 0.63 H new ATOM 0 HG3 MET A 118 22.458 10.108 4.589 1.00 0.63 H new ATOM 0 HE1 MET A 118 25.309 9.166 7.032 1.00 1.34 H new ATOM 0 HE2 MET A 118 25.409 9.443 5.277 1.00 1.34 H new ATOM 0 HE3 MET A 118 24.349 10.462 6.280 1.00 1.34 H new ATOM 1830 N GLU A 119 22.023 5.281 4.793 1.00 0.01 N ATOM 1831 CA GLU A 119 22.784 4.359 5.675 1.00 0.02 C ATOM 1832 C GLU A 119 23.509 3.310 4.829 1.00 0.02 C ATOM 1833 O GLU A 119 24.601 2.884 5.149 1.00 0.01 O ATOM 1834 CB GLU A 119 21.817 3.659 6.632 1.00 0.30 C ATOM 1835 CG GLU A 119 21.190 4.692 7.569 1.00 0.99 C ATOM 1836 CD GLU A 119 20.113 4.019 8.422 1.00 1.69 C ATOM 1837 OE1 GLU A 119 20.062 2.800 8.426 1.00 2.11 O ATOM 1838 OE2 GLU A 119 19.357 4.736 9.058 1.00 2.07 O ATOM 0 H GLU A 119 21.007 5.201 4.842 1.00 0.01 H new ATOM 0 HA GLU A 119 23.517 4.930 6.245 1.00 0.02 H new ATOM 0 HB2 GLU A 119 21.039 3.144 6.068 1.00 0.30 H new ATOM 0 HB3 GLU A 119 22.346 2.901 7.210 1.00 0.30 H new ATOM 0 HG2 GLU A 119 21.956 5.130 8.210 1.00 0.99 H new ATOM 0 HG3 GLU A 119 20.754 5.507 6.990 1.00 0.99 H new ATOM 1845 N GLN A 120 22.882 2.848 3.783 1.00 0.00 N ATOM 1846 CA GLN A 120 23.506 1.773 2.952 1.00 0.01 C ATOM 1847 C GLN A 120 24.553 2.323 1.977 1.00 0.01 C ATOM 1848 O GLN A 120 25.614 1.751 1.819 1.00 0.01 O ATOM 1849 CB GLN A 120 22.412 1.058 2.159 1.00 0.52 C ATOM 1850 CG GLN A 120 23.042 -0.019 1.272 1.00 1.07 C ATOM 1851 CD GLN A 120 21.947 -0.937 0.725 1.00 1.08 C ATOM 1852 OE1 GLN A 120 20.696 -0.588 0.852 1.00 0.98 O flip ATOM 1853 NE2 GLN A 120 22.234 -1.983 0.178 1.00 2.08 N flip ATOM 0 H GLN A 120 21.966 3.166 3.466 1.00 0.00 H new ATOM 0 HA GLN A 120 24.014 1.085 3.628 1.00 0.01 H new ATOM 0 HB2 GLN A 120 21.691 0.606 2.840 1.00 0.52 H new ATOM 0 HB3 GLN A 120 21.866 1.775 1.546 1.00 0.52 H new ATOM 0 HG2 GLN A 120 23.586 0.445 0.449 1.00 1.07 H new ATOM 0 HG3 GLN A 120 23.765 -0.600 1.845 1.00 1.07 H new ATOM 0 HE21 GLN A 120 23.212 -2.255 0.079 1.00 2.08 H new ATOM 0 HE22 GLN A 120 21.497 -2.589 -0.182 1.00 2.08 H new ATOM 1862 N PHE A 121 24.236 3.384 1.271 1.00 0.02 N ATOM 1863 CA PHE A 121 25.190 3.922 0.238 1.00 0.01 C ATOM 1864 C PHE A 121 25.789 5.272 0.638 1.00 0.01 C ATOM 1865 O PHE A 121 26.573 5.843 -0.094 1.00 0.01 O ATOM 1866 CB PHE A 121 24.441 4.074 -1.085 1.00 0.01 C ATOM 1867 CG PHE A 121 23.697 2.794 -1.388 1.00 0.01 C ATOM 1868 CD1 PHE A 121 22.413 2.593 -0.872 1.00 0.01 C ATOM 1869 CD2 PHE A 121 24.292 1.807 -2.184 1.00 0.01 C ATOM 1870 CE1 PHE A 121 21.722 1.407 -1.148 1.00 0.01 C ATOM 1871 CE2 PHE A 121 23.600 0.620 -2.461 1.00 0.01 C ATOM 1872 CZ PHE A 121 22.315 0.421 -1.943 1.00 0.01 C ATOM 0 H PHE A 121 23.362 3.901 1.363 1.00 0.02 H new ATOM 0 HA PHE A 121 26.017 3.217 0.146 1.00 0.01 H new ATOM 0 HB2 PHE A 121 23.743 4.909 -1.027 1.00 0.01 H new ATOM 0 HB3 PHE A 121 25.142 4.300 -1.889 1.00 0.01 H new ATOM 0 HD1 PHE A 121 21.953 3.354 -0.259 1.00 0.01 H new ATOM 0 HD2 PHE A 121 25.283 1.960 -2.584 1.00 0.01 H new ATOM 0 HE1 PHE A 121 20.731 1.254 -0.747 1.00 0.01 H new ATOM 0 HE2 PHE A 121 24.059 -0.141 -3.074 1.00 0.01 H new ATOM 0 HZ PHE A 121 21.782 -0.493 -2.157 1.00 0.01 H new ATOM 1882 N HIS A 122 25.436 5.798 1.777 1.00 0.01 N ATOM 1883 CA HIS A 122 26.000 7.115 2.191 1.00 0.01 C ATOM 1884 C HIS A 122 25.626 8.183 1.158 1.00 0.01 C ATOM 1885 O HIS A 122 26.376 9.107 0.911 1.00 0.02 O ATOM 1886 CB HIS A 122 27.525 6.996 2.306 1.00 0.01 C ATOM 1887 CG HIS A 122 27.878 5.661 2.902 1.00 0.01 C ATOM 1888 ND1 HIS A 122 28.079 4.534 2.122 1.00 0.01 N ATOM 1889 CD2 HIS A 122 28.071 5.257 4.200 1.00 0.01 C ATOM 1890 CE1 HIS A 122 28.377 3.515 2.950 1.00 0.00 C ATOM 1891 NE2 HIS A 122 28.386 3.902 4.228 1.00 0.01 N ATOM 0 H HIS A 122 24.784 5.376 2.438 1.00 0.01 H new ATOM 0 HA HIS A 122 25.590 7.406 3.158 1.00 0.01 H new ATOM 0 HB2 HIS A 122 27.984 7.101 1.323 1.00 0.01 H new ATOM 0 HB3 HIS A 122 27.918 7.800 2.929 1.00 0.01 H new ATOM 0 HD2 HIS A 122 27.990 5.895 5.068 1.00 0.01 H new ATOM 0 HE1 HIS A 122 28.584 2.507 2.621 1.00 0.00 H new ATOM 0 HE2 HIS A 122 28.582 3.328 5.048 1.00 0.01 H new ATOM 1899 N LEU A 123 24.462 8.060 0.557 1.00 0.01 N ATOM 1900 CA LEU A 123 24.014 9.067 -0.470 1.00 0.01 C ATOM 1901 C LEU A 123 22.817 9.841 0.089 1.00 0.02 C ATOM 1902 O LEU A 123 21.915 9.271 0.671 1.00 0.01 O ATOM 1903 CB LEU A 123 23.592 8.331 -1.759 1.00 0.01 C ATOM 1904 CG LEU A 123 24.816 8.078 -2.664 1.00 0.01 C ATOM 1905 CD1 LEU A 123 24.533 6.903 -3.610 1.00 0.01 C ATOM 1906 CD2 LEU A 123 25.111 9.322 -3.513 1.00 0.01 C ATOM 0 H LEU A 123 23.800 7.304 0.733 1.00 0.01 H new ATOM 0 HA LEU A 123 24.829 9.755 -0.697 1.00 0.01 H new ATOM 0 HB2 LEU A 123 23.119 7.383 -1.505 1.00 0.01 H new ATOM 0 HB3 LEU A 123 22.851 8.923 -2.297 1.00 0.01 H new ATOM 0 HG LEU A 123 25.672 7.850 -2.029 1.00 0.01 H new ATOM 0 HD11 LEU A 123 25.401 6.730 -4.246 1.00 0.01 H new ATOM 0 HD12 LEU A 123 24.327 6.006 -3.025 1.00 0.01 H new ATOM 0 HD13 LEU A 123 23.669 7.137 -4.232 1.00 0.01 H new ATOM 0 HD21 LEU A 123 25.977 9.132 -4.148 1.00 0.01 H new ATOM 0 HD22 LEU A 123 24.247 9.550 -4.137 1.00 0.01 H new ATOM 0 HD23 LEU A 123 25.320 10.168 -2.858 1.00 0.01 H new ATOM 1918 N ARG A 124 22.806 11.141 -0.074 1.00 0.01 N ATOM 1919 CA ARG A 124 21.674 11.957 0.457 1.00 0.00 C ATOM 1920 C ARG A 124 20.595 12.132 -0.621 1.00 0.01 C ATOM 1921 O ARG A 124 19.450 12.407 -0.323 1.00 0.01 O ATOM 1922 CB ARG A 124 22.194 13.341 0.886 1.00 1.67 C ATOM 1923 CG ARG A 124 22.815 13.259 2.287 1.00 1.98 C ATOM 1924 CD ARG A 124 23.952 12.234 2.301 1.00 2.92 C ATOM 1925 NE ARG A 124 24.883 12.499 1.167 1.00 3.54 N ATOM 1926 CZ ARG A 124 26.071 11.957 1.158 1.00 4.57 C ATOM 1927 NH1 ARG A 124 26.445 11.187 2.145 1.00 5.25 N ATOM 1928 NH2 ARG A 124 26.885 12.185 0.164 1.00 5.32 N ATOM 0 H ARG A 124 23.534 11.672 -0.553 1.00 0.01 H new ATOM 0 HA ARG A 124 21.241 11.443 1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 124 22.936 13.697 0.171 1.00 1.67 H new ATOM 0 HB3 ARG A 124 21.377 14.062 0.883 1.00 1.67 H new ATOM 0 HG2 ARG A 124 23.194 14.237 2.583 1.00 1.98 H new ATOM 0 HG3 ARG A 124 22.053 12.978 3.015 1.00 1.98 H new ATOM 0 HD2 ARG A 124 24.491 12.288 3.247 1.00 2.92 H new ATOM 0 HD3 ARG A 124 23.546 11.225 2.223 1.00 2.92 H new ATOM 0 HE ARG A 124 24.592 13.103 0.399 1.00 3.54 H new ATOM 0 HH11 ARG A 124 25.809 11.009 2.922 1.00 5.25 H new ATOM 0 HH12 ARG A 124 27.373 10.764 2.138 1.00 5.25 H new ATOM 0 HH21 ARG A 124 26.593 12.787 -0.606 1.00 5.32 H new ATOM 0 HH22 ARG A 124 27.813 11.762 0.157 1.00 5.32 H new ATOM 1942 N GLU A 125 20.957 11.998 -1.874 1.00 0.01 N ATOM 1943 CA GLU A 125 19.962 12.183 -2.975 1.00 0.01 C ATOM 1944 C GLU A 125 20.333 11.294 -4.168 1.00 0.01 C ATOM 1945 O GLU A 125 21.451 10.833 -4.283 1.00 0.01 O ATOM 1946 CB GLU A 125 19.974 13.642 -3.434 1.00 0.01 C ATOM 1947 CG GLU A 125 19.675 14.558 -2.245 1.00 0.01 C ATOM 1948 CD GLU A 125 19.415 15.978 -2.752 1.00 0.02 C ATOM 1949 OE1 GLU A 125 20.173 16.432 -3.594 1.00 0.01 O ATOM 1950 OE2 GLU A 125 18.462 16.586 -2.293 1.00 0.02 O ATOM 0 H GLU A 125 21.902 11.768 -2.182 1.00 0.01 H new ATOM 0 HA GLU A 125 18.973 11.912 -2.605 1.00 0.01 H new ATOM 0 HB2 GLU A 125 20.945 13.891 -3.862 1.00 0.01 H new ATOM 0 HB3 GLU A 125 19.232 13.793 -4.218 1.00 0.01 H new ATOM 0 HG2 GLU A 125 18.807 14.191 -1.698 1.00 0.01 H new ATOM 0 HG3 GLU A 125 20.514 14.556 -1.550 1.00 0.01 H new ATOM 1957 N ILE A 126 19.408 11.082 -5.074 1.00 0.01 N ATOM 1958 CA ILE A 126 19.698 10.257 -6.295 1.00 0.01 C ATOM 1959 C ILE A 126 19.189 11.030 -7.518 1.00 0.01 C ATOM 1960 O ILE A 126 18.067 11.493 -7.537 1.00 0.01 O ATOM 1961 CB ILE A 126 18.977 8.904 -6.192 1.00 1.33 C ATOM 1962 CG1 ILE A 126 19.735 8.023 -5.192 1.00 1.49 C ATOM 1963 CG2 ILE A 126 18.952 8.215 -7.570 1.00 2.17 C ATOM 1964 CD1 ILE A 126 18.987 6.708 -4.975 1.00 1.70 C ATOM 0 H ILE A 126 18.457 11.447 -5.021 1.00 0.01 H new ATOM 0 HA ILE A 126 20.768 10.071 -6.384 1.00 0.01 H new ATOM 0 HB ILE A 126 17.951 9.057 -5.857 1.00 1.33 H new ATOM 0 HG12 ILE A 126 20.740 7.821 -5.563 1.00 1.49 H new ATOM 0 HG13 ILE A 126 19.845 8.548 -4.243 1.00 1.49 H new ATOM 0 HG21 ILE A 126 18.439 7.257 -7.488 1.00 2.17 H new ATOM 0 HG22 ILE A 126 18.426 8.848 -8.284 1.00 2.17 H new ATOM 0 HG23 ILE A 126 19.973 8.052 -7.914 1.00 2.17 H new ATOM 0 HD11 ILE A 126 19.535 6.091 -4.263 1.00 1.70 H new ATOM 0 HD12 ILE A 126 17.991 6.916 -4.584 1.00 1.70 H new ATOM 0 HD13 ILE A 126 18.901 6.178 -5.923 1.00 1.70 H new ATOM 1976 N HIS A 127 20.017 11.205 -8.525 1.00 0.01 N ATOM 1977 CA HIS A 127 19.586 11.992 -9.729 1.00 0.01 C ATOM 1978 C HIS A 127 19.344 11.095 -10.947 1.00 0.01 C ATOM 1979 O HIS A 127 18.750 11.510 -11.921 1.00 0.01 O ATOM 1980 CB HIS A 127 20.649 13.039 -10.071 1.00 0.02 C ATOM 1981 CG HIS A 127 20.858 13.946 -8.891 1.00 0.01 C ATOM 1982 ND1 HIS A 127 19.911 14.090 -7.890 1.00 0.01 N ATOM 1983 CD2 HIS A 127 21.904 14.763 -8.537 1.00 0.01 C ATOM 1984 CE1 HIS A 127 20.401 14.964 -6.990 1.00 0.01 C ATOM 1985 NE2 HIS A 127 21.613 15.403 -7.337 1.00 0.02 N ATOM 0 H HIS A 127 20.968 10.839 -8.565 1.00 0.01 H new ATOM 0 HA HIS A 127 18.643 12.479 -9.481 1.00 0.01 H new ATOM 0 HB2 HIS A 127 21.586 12.548 -10.336 1.00 0.02 H new ATOM 0 HB3 HIS A 127 20.336 13.620 -10.939 1.00 0.02 H new ATOM 0 HD2 HIS A 127 22.814 14.889 -9.104 1.00 0.01 H new ATOM 0 HE1 HIS A 127 19.878 15.272 -6.097 1.00 0.01 H new ATOM 0 HE2 HIS A 127 22.200 16.066 -6.831 1.00 0.02 H new ATOM 1993 N SER A 128 19.762 9.859 -10.894 1.00 0.01 N ATOM 1994 CA SER A 128 19.510 8.936 -12.038 1.00 0.01 C ATOM 1995 C SER A 128 19.596 7.495 -11.528 1.00 0.01 C ATOM 1996 O SER A 128 20.305 7.205 -10.585 1.00 0.01 O ATOM 1997 CB SER A 128 20.556 9.169 -13.135 1.00 0.01 C ATOM 1998 OG SER A 128 20.135 10.251 -13.956 1.00 0.01 O ATOM 0 H SER A 128 20.267 9.449 -10.108 1.00 0.01 H new ATOM 0 HA SER A 128 18.521 9.122 -12.457 1.00 0.01 H new ATOM 0 HB2 SER A 128 21.526 9.390 -12.689 1.00 0.01 H new ATOM 0 HB3 SER A 128 20.679 8.267 -13.735 1.00 0.01 H new ATOM 0 HG SER A 128 19.579 10.863 -13.430 1.00 0.01 H new ATOM 2004 N CYS A 129 18.878 6.595 -12.139 1.00 0.01 N ATOM 2005 CA CYS A 129 18.908 5.177 -11.686 1.00 0.01 C ATOM 2006 C CYS A 129 18.188 4.319 -12.732 1.00 0.00 C ATOM 2007 O CYS A 129 17.229 4.758 -13.336 1.00 0.01 O ATOM 2008 CB CYS A 129 18.213 5.064 -10.313 1.00 0.69 C ATOM 2009 SG CYS A 129 17.043 6.432 -10.114 1.00 1.22 S ATOM 0 H CYS A 129 18.269 6.781 -12.936 1.00 0.01 H new ATOM 0 HA CYS A 129 19.935 4.828 -11.580 1.00 0.01 H new ATOM 0 HB2 CYS A 129 17.691 4.110 -10.235 1.00 0.69 H new ATOM 0 HB3 CYS A 129 18.955 5.087 -9.515 1.00 0.69 H new ATOM 0 HG CYS A 129 15.828 5.982 -10.217 1.00 1.22 H new ATOM 2015 N LYS A 130 18.643 3.104 -12.964 1.00 0.01 N ATOM 2016 CA LYS A 130 17.978 2.233 -13.991 1.00 0.01 C ATOM 2017 C LYS A 130 17.582 0.885 -13.380 1.00 0.01 C ATOM 2018 O LYS A 130 18.402 0.043 -13.068 1.00 0.01 O ATOM 2019 CB LYS A 130 18.936 1.998 -15.164 1.00 0.55 C ATOM 2020 CG LYS A 130 18.163 1.401 -16.342 1.00 0.80 C ATOM 2021 CD LYS A 130 19.133 1.076 -17.480 1.00 0.29 C ATOM 2022 CE LYS A 130 18.446 0.149 -18.488 1.00 0.33 C ATOM 2023 NZ LYS A 130 17.004 0.513 -18.596 1.00 1.41 N ATOM 0 H LYS A 130 19.441 2.682 -12.489 1.00 0.01 H new ATOM 0 HA LYS A 130 17.078 2.737 -14.344 1.00 0.01 H new ATOM 0 HB2 LYS A 130 19.403 2.937 -15.460 1.00 0.55 H new ATOM 0 HB3 LYS A 130 19.738 1.324 -14.863 1.00 0.55 H new ATOM 0 HG2 LYS A 130 17.640 0.498 -16.027 1.00 0.80 H new ATOM 0 HG3 LYS A 130 17.405 2.104 -16.686 1.00 0.80 H new ATOM 0 HD2 LYS A 130 19.452 1.994 -17.973 1.00 0.29 H new ATOM 0 HD3 LYS A 130 20.029 0.599 -17.083 1.00 0.29 H new ATOM 0 HE2 LYS A 130 18.927 0.233 -19.462 1.00 0.33 H new ATOM 0 HE3 LYS A 130 18.547 -0.889 -18.171 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 16.687 0.389 -19.579 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 16.443 -0.101 -17.972 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 16.874 1.505 -18.313 1.00 1.41 H new ATOM 2037 N VAL A 131 16.302 0.688 -13.239 1.00 0.01 N ATOM 2038 CA VAL A 131 15.746 -0.584 -12.692 1.00 0.01 C ATOM 2039 C VAL A 131 15.077 -1.314 -13.855 1.00 0.01 C ATOM 2040 O VAL A 131 14.321 -0.713 -14.593 1.00 0.01 O ATOM 2041 CB VAL A 131 14.710 -0.272 -11.610 1.00 0.01 C ATOM 2042 CG1 VAL A 131 13.561 0.540 -12.214 1.00 0.01 C ATOM 2043 CG2 VAL A 131 14.164 -1.582 -11.037 1.00 0.01 C ATOM 0 H VAL A 131 15.594 1.379 -13.488 1.00 0.01 H new ATOM 0 HA VAL A 131 16.531 -1.196 -12.247 1.00 0.01 H new ATOM 0 HB VAL A 131 15.180 0.307 -10.815 1.00 0.01 H new ATOM 0 HG11 VAL A 131 12.825 0.760 -11.441 1.00 0.01 H new ATOM 0 HG12 VAL A 131 13.950 1.473 -12.621 1.00 0.01 H new ATOM 0 HG13 VAL A 131 13.089 -0.035 -13.011 1.00 0.01 H new ATOM 0 HG21 VAL A 131 13.426 -1.362 -10.266 1.00 0.01 H new ATOM 0 HG22 VAL A 131 13.696 -2.160 -11.833 1.00 0.01 H new ATOM 0 HG23 VAL A 131 14.981 -2.158 -10.603 1.00 0.01 H new ATOM 2053 N VAL A 132 15.294 -2.602 -14.018 1.00 0.01 N ATOM 2054 CA VAL A 132 14.615 -3.344 -15.109 1.00 0.01 C ATOM 2055 C VAL A 132 13.961 -4.563 -14.482 1.00 0.00 C ATOM 2056 O VAL A 132 14.542 -5.620 -14.331 1.00 0.01 O ATOM 2057 CB VAL A 132 15.647 -3.793 -16.146 1.00 1.22 C ATOM 2058 CG1 VAL A 132 14.938 -4.506 -17.299 1.00 1.00 C ATOM 2059 CG2 VAL A 132 16.391 -2.569 -16.686 1.00 1.98 C ATOM 0 H VAL A 132 15.915 -3.163 -13.436 1.00 0.01 H new ATOM 0 HA VAL A 132 13.875 -2.716 -15.605 1.00 0.01 H new ATOM 0 HB VAL A 132 16.357 -4.476 -15.679 1.00 1.22 H new ATOM 0 HG11 VAL A 132 15.674 -4.825 -18.037 1.00 1.00 H new ATOM 0 HG12 VAL A 132 14.406 -5.377 -16.916 1.00 1.00 H new ATOM 0 HG13 VAL A 132 14.228 -3.824 -17.767 1.00 1.00 H new ATOM 0 HG21 VAL A 132 17.127 -2.887 -17.425 1.00 1.98 H new ATOM 0 HG22 VAL A 132 15.680 -1.887 -17.152 1.00 1.98 H new ATOM 0 HG23 VAL A 132 16.897 -2.060 -15.866 1.00 1.98 H new ATOM 2069 N GLU A 133 12.729 -4.397 -14.166 1.00 0.01 N ATOM 2070 CA GLU A 133 11.896 -5.484 -13.583 1.00 0.01 C ATOM 2071 C GLU A 133 10.485 -5.254 -14.110 1.00 0.01 C ATOM 2072 O GLU A 133 10.019 -5.934 -15.003 1.00 0.01 O ATOM 2073 CB GLU A 133 11.917 -5.394 -12.052 1.00 0.00 C ATOM 2074 CG GLU A 133 10.828 -6.292 -11.451 1.00 0.00 C ATOM 2075 CD GLU A 133 10.927 -7.699 -12.049 1.00 0.00 C ATOM 2076 OE1 GLU A 133 11.961 -8.325 -11.876 1.00 0.00 O ATOM 2077 OE2 GLU A 133 9.965 -8.126 -12.669 1.00 0.00 O ATOM 0 H GLU A 133 12.231 -3.515 -14.289 1.00 0.01 H new ATOM 0 HA GLU A 133 12.267 -6.472 -13.857 1.00 0.01 H new ATOM 0 HB2 GLU A 133 12.895 -5.696 -11.677 1.00 0.00 H new ATOM 0 HB3 GLU A 133 11.760 -4.362 -11.739 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.939 -6.339 -10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.843 -5.870 -11.652 1.00 0.00 H new ATOM 2084 N GLY A 134 9.804 -4.294 -13.552 1.00 0.01 N ATOM 2085 CA GLY A 134 8.417 -3.996 -13.994 1.00 0.01 C ATOM 2086 C GLY A 134 7.673 -3.296 -12.858 1.00 0.01 C ATOM 2087 O GLY A 134 7.115 -2.231 -13.039 1.00 0.01 O ATOM 0 H GLY A 134 10.153 -3.698 -12.802 1.00 0.01 H new ATOM 0 HA2 GLY A 134 8.432 -3.362 -14.881 1.00 0.01 H new ATOM 0 HA3 GLY A 134 7.903 -4.917 -14.269 1.00 0.01 H new ATOM 2091 N THR A 135 7.653 -3.895 -11.688 1.00 0.01 N ATOM 2092 CA THR A 135 6.934 -3.282 -10.523 1.00 0.01 C ATOM 2093 C THR A 135 7.904 -2.994 -9.366 1.00 0.01 C ATOM 2094 O THR A 135 8.221 -3.860 -8.570 1.00 0.01 O ATOM 2095 CB THR A 135 5.844 -4.243 -10.048 1.00 1.43 C ATOM 2096 OG1 THR A 135 6.432 -5.485 -9.689 1.00 1.92 O ATOM 2097 CG2 THR A 135 4.817 -4.466 -11.167 1.00 2.30 C ATOM 0 H THR A 135 8.106 -4.787 -11.490 1.00 0.01 H new ATOM 0 HA THR A 135 6.492 -2.338 -10.842 1.00 0.01 H new ATOM 0 HB THR A 135 5.340 -3.813 -9.182 1.00 1.43 H new ATOM 0 HG1 THR A 135 7.262 -5.323 -9.194 1.00 1.92 H new ATOM 0 HG21 THR A 135 4.044 -5.152 -10.820 1.00 2.30 H new ATOM 0 HG22 THR A 135 4.362 -3.513 -11.438 1.00 2.30 H new ATOM 0 HG23 THR A 135 5.315 -4.891 -12.038 1.00 2.30 H new ATOM 2105 N TRP A 136 8.350 -1.767 -9.260 1.00 0.01 N ATOM 2106 CA TRP A 136 9.273 -1.355 -8.152 1.00 0.01 C ATOM 2107 C TRP A 136 8.678 -0.099 -7.508 1.00 0.01 C ATOM 2108 O TRP A 136 8.091 0.719 -8.191 1.00 0.00 O ATOM 2109 CB TRP A 136 10.676 -1.055 -8.717 1.00 0.01 C ATOM 2110 CG TRP A 136 11.511 -2.300 -8.693 1.00 0.01 C ATOM 2111 CD1 TRP A 136 11.232 -3.436 -9.370 1.00 0.01 C ATOM 2112 CD2 TRP A 136 12.747 -2.550 -7.962 1.00 0.01 C ATOM 2113 NE1 TRP A 136 12.222 -4.368 -9.105 1.00 0.00 N ATOM 2114 CE2 TRP A 136 13.177 -3.867 -8.242 1.00 0.01 C ATOM 2115 CE3 TRP A 136 13.527 -1.768 -7.094 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 14.343 -4.391 -7.679 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 14.701 -2.290 -6.525 1.00 0.01 C ATOM 2118 CH2 TRP A 136 15.108 -3.600 -6.818 1.00 0.01 C ATOM 0 H TRP A 136 8.109 -1.017 -9.908 1.00 0.01 H new ATOM 0 HA TRP A 136 9.374 -2.151 -7.415 1.00 0.01 H new ATOM 0 HB2 TRP A 136 10.595 -0.681 -9.737 1.00 0.01 H new ATOM 0 HB3 TRP A 136 11.156 -0.273 -8.128 1.00 0.01 H new ATOM 0 HD1 TRP A 136 10.378 -3.592 -10.012 1.00 0.01 H new ATOM 0 HE1 TRP A 136 12.243 -5.309 -9.499 1.00 0.00 H new ATOM 0 HE3 TRP A 136 13.222 -0.758 -6.862 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 14.651 -5.401 -7.908 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 15.293 -1.680 -5.859 1.00 0.01 H new ATOM 0 HH2 TRP A 136 16.011 -3.997 -6.379 1.00 0.01 H new ATOM 2129 N ILE A 137 8.821 0.079 -6.211 1.00 0.01 N ATOM 2130 CA ILE A 137 8.261 1.306 -5.550 1.00 0.00 C ATOM 2131 C ILE A 137 9.368 2.053 -4.807 1.00 0.01 C ATOM 2132 O ILE A 137 10.197 1.468 -4.136 1.00 0.01 O ATOM 2133 CB ILE A 137 7.186 0.915 -4.529 1.00 0.60 C ATOM 2134 CG1 ILE A 137 6.030 0.206 -5.241 1.00 1.32 C ATOM 2135 CG2 ILE A 137 6.659 2.186 -3.850 1.00 1.37 C ATOM 2136 CD1 ILE A 137 5.036 -0.360 -4.213 1.00 1.69 C ATOM 0 H ILE A 137 9.299 -0.569 -5.585 1.00 0.01 H new ATOM 0 HA ILE A 137 7.830 1.940 -6.325 1.00 0.00 H new ATOM 0 HB ILE A 137 7.615 0.244 -3.785 1.00 0.60 H new ATOM 0 HG12 ILE A 137 5.519 0.904 -5.904 1.00 1.32 H new ATOM 0 HG13 ILE A 137 6.417 -0.600 -5.864 1.00 1.32 H new ATOM 0 HG21 ILE A 137 5.893 1.919 -3.122 1.00 1.37 H new ATOM 0 HG22 ILE A 137 7.479 2.695 -3.344 1.00 1.37 H new ATOM 0 HG23 ILE A 137 6.229 2.848 -4.601 1.00 1.37 H new ATOM 0 HD11 ILE A 137 4.220 -0.861 -4.734 1.00 1.69 H new ATOM 0 HD12 ILE A 137 5.547 -1.074 -3.568 1.00 1.69 H new ATOM 0 HD13 ILE A 137 4.635 0.453 -3.608 1.00 1.69 H new ATOM 2148 N PHE A 138 9.341 3.353 -4.897 1.00 0.01 N ATOM 2149 CA PHE A 138 10.335 4.210 -4.181 1.00 0.01 C ATOM 2150 C PHE A 138 9.561 5.014 -3.136 1.00 0.01 C ATOM 2151 O PHE A 138 8.446 5.418 -3.384 1.00 0.00 O ATOM 2152 CB PHE A 138 11.010 5.156 -5.175 1.00 1.11 C ATOM 2153 CG PHE A 138 11.901 4.358 -6.099 1.00 1.11 C ATOM 2154 CD1 PHE A 138 11.376 3.804 -7.271 1.00 1.54 C ATOM 2155 CD2 PHE A 138 13.253 4.170 -5.784 1.00 1.46 C ATOM 2156 CE1 PHE A 138 12.202 3.063 -8.127 1.00 2.35 C ATOM 2157 CE2 PHE A 138 14.077 3.430 -6.638 1.00 2.01 C ATOM 2158 CZ PHE A 138 13.551 2.877 -7.809 1.00 2.49 C ATOM 0 H PHE A 138 8.657 3.872 -5.448 1.00 0.01 H new ATOM 0 HA PHE A 138 11.109 3.604 -3.709 1.00 0.01 H new ATOM 0 HB2 PHE A 138 10.257 5.693 -5.752 1.00 1.11 H new ATOM 0 HB3 PHE A 138 11.597 5.904 -4.642 1.00 1.11 H new ATOM 0 HD1 PHE A 138 10.334 3.947 -7.516 1.00 1.54 H new ATOM 0 HD2 PHE A 138 13.660 4.598 -4.880 1.00 1.46 H new ATOM 0 HE1 PHE A 138 11.797 2.636 -9.032 1.00 2.35 H new ATOM 0 HE2 PHE A 138 15.119 3.286 -6.393 1.00 2.01 H new ATOM 0 HZ PHE A 138 14.187 2.306 -8.469 1.00 2.49 H new ATOM 2168 N TYR A 139 10.137 5.261 -1.979 1.00 0.01 N ATOM 2169 CA TYR A 139 9.422 6.057 -0.922 1.00 0.01 C ATOM 2170 C TYR A 139 10.272 7.271 -0.535 1.00 0.01 C ATOM 2171 O TYR A 139 11.491 7.218 -0.542 1.00 0.01 O ATOM 2172 CB TYR A 139 9.189 5.188 0.314 1.00 0.01 C ATOM 2173 CG TYR A 139 8.540 3.884 -0.091 1.00 0.01 C ATOM 2174 CD1 TYR A 139 9.298 2.899 -0.729 1.00 0.01 C ATOM 2175 CD2 TYR A 139 7.184 3.657 0.181 1.00 0.01 C ATOM 2176 CE1 TYR A 139 8.704 1.687 -1.098 1.00 0.01 C ATOM 2177 CE2 TYR A 139 6.589 2.445 -0.188 1.00 0.02 C ATOM 2178 CZ TYR A 139 7.350 1.459 -0.828 1.00 0.02 C ATOM 2179 OH TYR A 139 6.764 0.264 -1.192 1.00 0.00 O ATOM 0 H TYR A 139 11.072 4.946 -1.720 1.00 0.01 H new ATOM 0 HA TYR A 139 8.461 6.391 -1.314 1.00 0.01 H new ATOM 0 HB2 TYR A 139 10.137 4.993 0.816 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.554 5.715 1.026 1.00 0.01 H new ATOM 0 HD1 TYR A 139 10.343 3.073 -0.938 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.598 4.418 0.676 1.00 0.01 H new ATOM 0 HE1 TYR A 139 9.291 0.927 -1.592 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.544 2.270 0.021 1.00 0.02 H new ATOM 0 HH TYR A 139 5.820 0.270 -0.930 1.00 0.00 H new ATOM 2189 N GLU A 140 9.635 8.379 -0.249 1.00 0.01 N ATOM 2190 CA GLU A 140 10.382 9.631 0.071 1.00 0.02 C ATOM 2191 C GLU A 140 11.008 9.580 1.470 1.00 0.01 C ATOM 2192 O GLU A 140 12.021 10.207 1.702 1.00 0.01 O ATOM 2193 CB GLU A 140 9.386 10.788 0.018 1.00 0.01 C ATOM 2194 CG GLU A 140 10.137 12.115 0.151 1.00 0.02 C ATOM 2195 CD GLU A 140 9.145 13.276 0.044 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.077 13.067 -0.508 1.00 0.01 O ATOM 2197 OE2 GLU A 140 9.470 14.354 0.515 1.00 0.02 O ATOM 0 H GLU A 140 8.619 8.469 -0.224 1.00 0.01 H new ATOM 0 HA GLU A 140 11.190 9.756 -0.649 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.833 10.763 -0.921 1.00 0.01 H new ATOM 0 HB3 GLU A 140 8.655 10.690 0.821 1.00 0.01 H new ATOM 0 HG2 GLU A 140 10.659 12.156 1.107 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.894 12.196 -0.629 1.00 0.02 H new ATOM 2204 N LEU A 141 10.428 8.867 2.413 1.00 0.01 N ATOM 2205 CA LEU A 141 11.019 8.822 3.796 1.00 0.02 C ATOM 2206 C LEU A 141 11.468 7.379 4.103 1.00 0.01 C ATOM 2207 O LEU A 141 10.945 6.437 3.536 1.00 0.01 O ATOM 2208 CB LEU A 141 9.931 9.256 4.802 1.00 0.57 C ATOM 2209 CG LEU A 141 9.888 10.796 4.912 1.00 0.81 C ATOM 2210 CD1 LEU A 141 8.517 11.237 5.432 1.00 1.48 C ATOM 2211 CD2 LEU A 141 10.970 11.295 5.881 1.00 1.24 C ATOM 0 H LEU A 141 9.578 8.318 2.287 1.00 0.01 H new ATOM 0 HA LEU A 141 11.879 9.488 3.869 1.00 0.02 H new ATOM 0 HB2 LEU A 141 8.959 8.880 4.482 1.00 0.57 H new ATOM 0 HB3 LEU A 141 10.135 8.820 5.780 1.00 0.57 H new ATOM 0 HG LEU A 141 10.067 11.218 3.923 1.00 0.81 H new ATOM 0 HD11 LEU A 141 8.489 12.324 5.509 1.00 1.48 H new ATOM 0 HD12 LEU A 141 7.742 10.902 4.743 1.00 1.48 H new ATOM 0 HD13 LEU A 141 8.343 10.799 6.415 1.00 1.48 H new ATOM 0 HD21 LEU A 141 10.926 12.382 5.947 1.00 1.24 H new ATOM 0 HD22 LEU A 141 10.801 10.864 6.868 1.00 1.24 H new ATOM 0 HD23 LEU A 141 11.952 10.993 5.517 1.00 1.24 H new ATOM 2223 N PRO A 142 12.431 7.197 4.991 1.00 0.01 N ATOM 2224 CA PRO A 142 12.922 5.828 5.327 1.00 0.01 C ATOM 2225 C PRO A 142 11.804 4.894 5.804 1.00 0.01 C ATOM 2226 O PRO A 142 10.708 5.306 6.132 1.00 0.01 O ATOM 2227 CB PRO A 142 13.949 6.098 6.450 1.00 0.01 C ATOM 2228 CG PRO A 142 13.889 7.594 6.812 1.00 0.02 C ATOM 2229 CD PRO A 142 13.098 8.321 5.714 1.00 0.01 C ATOM 0 HA PRO A 142 13.341 5.314 4.462 1.00 0.01 H new ATOM 0 HB2 PRO A 142 13.725 5.487 7.324 1.00 0.01 H new ATOM 0 HB3 PRO A 142 14.952 5.827 6.120 1.00 0.01 H new ATOM 0 HG2 PRO A 142 13.409 7.732 7.781 1.00 0.02 H new ATOM 0 HG3 PRO A 142 14.895 8.006 6.893 1.00 0.02 H new ATOM 0 HD2 PRO A 142 12.374 9.020 6.132 1.00 0.01 H new ATOM 0 HD3 PRO A 142 13.751 8.894 5.056 1.00 0.01 H new ATOM 2237 N ASN A 143 12.123 3.632 5.860 1.00 0.01 N ATOM 2238 CA ASN A 143 11.154 2.604 6.334 1.00 0.01 C ATOM 2239 C ASN A 143 9.894 2.579 5.466 1.00 0.01 C ATOM 2240 O ASN A 143 8.817 2.243 5.918 1.00 0.01 O ATOM 2241 CB ASN A 143 10.763 2.909 7.781 1.00 0.23 C ATOM 2242 CG ASN A 143 10.055 1.698 8.386 1.00 0.11 C ATOM 2243 OD1 ASN A 143 9.761 0.681 7.622 1.00 0.75 O flip ATOM 2244 ND2 ASN A 143 9.768 1.675 9.567 1.00 0.56 N flip ATOM 0 H ASN A 143 13.035 3.261 5.591 1.00 0.01 H new ATOM 0 HA ASN A 143 11.634 1.628 6.266 1.00 0.01 H new ATOM 0 HB2 ASN A 143 11.651 3.153 8.365 1.00 0.23 H new ATOM 0 HB3 ASN A 143 10.109 3.780 7.816 1.00 0.23 H new ATOM 0 HD21 ASN A 143 9.998 2.470 10.163 1.00 0.56 H new ATOM 0 HD22 ASN A 143 9.297 0.861 9.962 1.00 0.56 H new ATOM 2251 N TYR A 144 10.036 2.893 4.208 1.00 0.01 N ATOM 2252 CA TYR A 144 8.873 2.851 3.273 1.00 0.02 C ATOM 2253 C TYR A 144 7.741 3.770 3.755 1.00 0.01 C ATOM 2254 O TYR A 144 6.601 3.360 3.849 1.00 0.01 O ATOM 2255 CB TYR A 144 8.364 1.397 3.175 1.00 0.01 C ATOM 2256 CG TYR A 144 9.520 0.445 3.415 1.00 0.01 C ATOM 2257 CD1 TYR A 144 10.701 0.583 2.675 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.416 -0.564 4.383 1.00 0.01 C ATOM 2259 CE1 TYR A 144 11.776 -0.286 2.900 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.492 -1.432 4.608 1.00 0.01 C ATOM 2261 CZ TYR A 144 11.672 -1.294 3.867 1.00 0.01 C ATOM 2262 OH TYR A 144 12.731 -2.149 4.089 1.00 0.01 O ATOM 0 H TYR A 144 10.917 3.180 3.782 1.00 0.01 H new ATOM 0 HA TYR A 144 9.195 3.204 2.293 1.00 0.02 H new ATOM 0 HB2 TYR A 144 7.577 1.225 3.909 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.928 1.217 2.192 1.00 0.01 H new ATOM 0 HD1 TYR A 144 10.783 1.361 1.930 1.00 0.01 H new ATOM 0 HD2 TYR A 144 8.506 -0.672 4.955 1.00 0.01 H new ATOM 0 HE1 TYR A 144 12.686 -0.179 2.328 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.411 -2.209 5.354 1.00 0.01 H new ATOM 0 HH TYR A 144 12.494 -2.788 4.793 1.00 0.01 H new ATOM 2272 N ARG A 145 8.051 5.011 4.055 1.00 0.02 N ATOM 2273 CA ARG A 145 6.995 5.970 4.530 1.00 0.01 C ATOM 2274 C ARG A 145 7.004 7.230 3.661 1.00 0.01 C ATOM 2275 O ARG A 145 7.938 7.479 2.923 1.00 0.01 O ATOM 2276 CB ARG A 145 7.286 6.372 5.979 1.00 0.01 C ATOM 2277 CG ARG A 145 7.443 5.117 6.847 1.00 0.02 C ATOM 2278 CD ARG A 145 6.104 4.380 6.956 1.00 0.01 C ATOM 2279 NE ARG A 145 6.135 3.470 8.136 1.00 0.01 N ATOM 2280 CZ ARG A 145 5.024 2.967 8.601 1.00 0.01 C ATOM 2281 NH1 ARG A 145 3.884 3.265 8.038 1.00 0.02 N ATOM 2282 NH2 ARG A 145 5.051 2.168 9.631 1.00 0.01 N ATOM 0 H ARG A 145 8.990 5.403 3.992 1.00 0.02 H new ATOM 0 HA ARG A 145 6.021 5.485 4.462 1.00 0.01 H new ATOM 0 HB2 ARG A 145 8.195 6.972 6.024 1.00 0.01 H new ATOM 0 HB3 ARG A 145 6.476 6.992 6.363 1.00 0.01 H new ATOM 0 HG2 ARG A 145 8.195 4.458 6.414 1.00 0.02 H new ATOM 0 HG3 ARG A 145 7.796 5.394 7.840 1.00 0.02 H new ATOM 0 HD2 ARG A 145 5.289 5.097 7.057 1.00 0.01 H new ATOM 0 HD3 ARG A 145 5.916 3.809 6.047 1.00 0.01 H new ATOM 0 HE ARG A 145 7.024 3.240 8.580 1.00 0.01 H new ATOM 0 HH11 ARG A 145 3.861 3.892 7.234 1.00 0.02 H new ATOM 0 HH12 ARG A 145 3.017 2.871 8.403 1.00 0.02 H new ATOM 0 HH21 ARG A 145 5.940 1.936 10.073 1.00 0.01 H new ATOM 0 HH22 ARG A 145 4.183 1.775 9.994 1.00 0.01 H new ATOM 2296 N GLY A 146 5.964 8.026 3.731 1.00 0.01 N ATOM 2297 CA GLY A 146 5.903 9.272 2.909 1.00 0.02 C ATOM 2298 C GLY A 146 5.271 8.979 1.545 1.00 0.01 C ATOM 2299 O GLY A 146 4.663 7.948 1.334 1.00 0.02 O ATOM 0 H GLY A 146 5.151 7.864 4.326 1.00 0.01 H new ATOM 0 HA2 GLY A 146 5.322 10.032 3.431 1.00 0.02 H new ATOM 0 HA3 GLY A 146 6.906 9.676 2.773 1.00 0.02 H new ATOM 2303 N ARG A 147 5.413 9.891 0.621 1.00 0.01 N ATOM 2304 CA ARG A 147 4.829 9.694 -0.737 1.00 0.01 C ATOM 2305 C ARG A 147 5.597 8.586 -1.454 1.00 0.01 C ATOM 2306 O ARG A 147 6.797 8.443 -1.311 1.00 0.01 O ATOM 2307 CB ARG A 147 4.954 10.995 -1.530 1.00 0.01 C ATOM 2308 CG ARG A 147 4.433 10.781 -2.954 1.00 0.01 C ATOM 2309 CD ARG A 147 4.234 12.137 -3.635 1.00 0.01 C ATOM 2310 NE ARG A 147 4.005 11.932 -5.093 1.00 0.02 N ATOM 2311 CZ ARG A 147 3.522 12.902 -5.819 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.246 14.054 -5.269 1.00 0.01 N ATOM 2313 NH2 ARG A 147 3.316 12.723 -7.096 1.00 0.02 N ATOM 0 H ARG A 147 5.913 10.771 0.750 1.00 0.01 H new ATOM 0 HA ARG A 147 3.778 9.417 -0.653 1.00 0.01 H new ATOM 0 HB2 ARG A 147 4.388 11.787 -1.040 1.00 0.01 H new ATOM 0 HB3 ARG A 147 5.995 11.317 -1.557 1.00 0.01 H new ATOM 0 HG2 ARG A 147 5.139 10.176 -3.524 1.00 0.01 H new ATOM 0 HG3 ARG A 147 3.491 10.233 -2.929 1.00 0.01 H new ATOM 0 HD2 ARG A 147 3.385 12.657 -3.192 1.00 0.01 H new ATOM 0 HD3 ARG A 147 5.110 12.767 -3.479 1.00 0.01 H new ATOM 0 HE ARG A 147 4.226 11.034 -5.523 1.00 0.02 H new ATOM 0 HH11 ARG A 147 3.408 14.195 -4.272 1.00 0.01 H new ATOM 0 HH12 ARG A 147 2.868 14.813 -5.837 1.00 0.01 H new ATOM 0 HH21 ARG A 147 3.533 11.824 -7.526 1.00 0.02 H new ATOM 0 HH22 ARG A 147 2.938 13.482 -7.663 1.00 0.02 H new ATOM 2327 N GLN A 148 4.888 7.777 -2.205 1.00 0.01 N ATOM 2328 CA GLN A 148 5.522 6.633 -2.926 1.00 0.01 C ATOM 2329 C GLN A 148 5.407 6.847 -4.440 1.00 0.01 C ATOM 2330 O GLN A 148 4.464 7.445 -4.921 1.00 0.01 O ATOM 2331 CB GLN A 148 4.756 5.359 -2.533 1.00 0.00 C ATOM 2332 CG GLN A 148 4.362 5.425 -1.050 1.00 0.02 C ATOM 2333 CD GLN A 148 3.108 6.288 -0.880 1.00 0.02 C ATOM 2334 OE1 GLN A 148 2.531 6.740 -1.849 1.00 0.02 O ATOM 2335 NE2 GLN A 148 2.658 6.537 0.321 1.00 0.01 N ATOM 0 H GLN A 148 3.882 7.864 -2.349 1.00 0.01 H new ATOM 0 HA GLN A 148 6.577 6.552 -2.663 1.00 0.01 H new ATOM 0 HB2 GLN A 148 3.864 5.255 -3.151 1.00 0.00 H new ATOM 0 HB3 GLN A 148 5.375 4.481 -2.715 1.00 0.00 H new ATOM 0 HG2 GLN A 148 4.177 4.421 -0.669 1.00 0.02 H new ATOM 0 HG3 GLN A 148 5.182 5.841 -0.465 1.00 0.02 H new ATOM 0 HE21 GLN A 148 3.141 6.158 1.135 1.00 0.01 H new ATOM 0 HE22 GLN A 148 1.823 7.110 0.444 1.00 0.01 H new ATOM 2344 N TYR A 149 6.358 6.349 -5.189 1.00 0.01 N ATOM 2345 CA TYR A 149 6.327 6.493 -6.682 1.00 0.01 C ATOM 2346 C TYR A 149 6.424 5.105 -7.324 1.00 0.01 C ATOM 2347 O TYR A 149 7.239 4.299 -6.921 1.00 0.01 O ATOM 2348 CB TYR A 149 7.508 7.352 -7.136 1.00 0.01 C ATOM 2349 CG TYR A 149 7.618 8.568 -6.248 1.00 0.01 C ATOM 2350 CD1 TYR A 149 8.302 8.486 -5.030 1.00 0.01 C ATOM 2351 CD2 TYR A 149 7.039 9.780 -6.644 1.00 0.01 C ATOM 2352 CE1 TYR A 149 8.408 9.613 -4.208 1.00 0.01 C ATOM 2353 CE2 TYR A 149 7.144 10.908 -5.823 1.00 0.01 C ATOM 2354 CZ TYR A 149 7.829 10.826 -4.605 1.00 0.01 C ATOM 2355 OH TYR A 149 7.934 11.938 -3.794 1.00 0.01 O ATOM 0 H TYR A 149 7.166 5.842 -4.828 1.00 0.01 H new ATOM 0 HA TYR A 149 5.396 6.972 -6.986 1.00 0.01 H new ATOM 0 HB2 TYR A 149 8.430 6.773 -7.093 1.00 0.01 H new ATOM 0 HB3 TYR A 149 7.372 7.657 -8.173 1.00 0.01 H new ATOM 0 HD1 TYR A 149 8.749 7.551 -4.724 1.00 0.01 H new ATOM 0 HD2 TYR A 149 6.511 9.844 -7.584 1.00 0.01 H new ATOM 0 HE1 TYR A 149 8.936 9.548 -3.268 1.00 0.01 H new ATOM 0 HE2 TYR A 149 6.697 11.842 -6.129 1.00 0.01 H new ATOM 0 HH TYR A 149 7.479 12.696 -4.217 1.00 0.01 H new ATOM 2365 N LEU A 150 5.610 4.810 -8.312 1.00 0.01 N ATOM 2366 CA LEU A 150 5.671 3.460 -8.966 1.00 0.01 C ATOM 2367 C LEU A 150 6.464 3.581 -10.273 1.00 0.01 C ATOM 2368 O LEU A 150 6.096 4.332 -11.155 1.00 0.01 O ATOM 2369 CB LEU A 150 4.231 2.990 -9.248 1.00 0.01 C ATOM 2370 CG LEU A 150 4.163 1.456 -9.270 1.00 0.01 C ATOM 2371 CD1 LEU A 150 2.703 1.013 -9.403 1.00 0.01 C ATOM 2372 CD2 LEU A 150 4.970 0.920 -10.457 1.00 0.01 C ATOM 0 H LEU A 150 4.907 5.444 -8.693 1.00 0.01 H new ATOM 0 HA LEU A 150 6.165 2.734 -8.320 1.00 0.01 H new ATOM 0 HB2 LEU A 150 3.558 3.379 -8.484 1.00 0.01 H new ATOM 0 HB3 LEU A 150 3.892 3.389 -10.204 1.00 0.01 H new ATOM 0 HG LEU A 150 4.581 1.062 -8.343 1.00 0.01 H new ATOM 0 HD11 LEU A 150 2.653 -0.076 -9.419 1.00 0.01 H new ATOM 0 HD12 LEU A 150 2.130 1.390 -8.556 1.00 0.01 H new ATOM 0 HD13 LEU A 150 2.286 1.409 -10.329 1.00 0.01 H new ATOM 0 HD21 LEU A 150 4.919 -0.169 -10.469 1.00 0.01 H new ATOM 0 HD22 LEU A 150 4.556 1.313 -11.386 1.00 0.01 H new ATOM 0 HD23 LEU A 150 6.009 1.234 -10.362 1.00 0.01 H new ATOM 2384 N LEU A 151 7.537 2.844 -10.418 1.00 0.01 N ATOM 2385 CA LEU A 151 8.338 2.914 -11.685 1.00 0.01 C ATOM 2386 C LEU A 151 7.979 1.725 -12.584 1.00 0.01 C ATOM 2387 O LEU A 151 7.371 0.766 -12.149 1.00 0.01 O ATOM 2388 CB LEU A 151 9.841 2.879 -11.342 1.00 0.01 C ATOM 2389 CG LEU A 151 10.382 4.308 -11.127 1.00 0.01 C ATOM 2390 CD1 LEU A 151 10.478 5.063 -12.470 1.00 0.01 C ATOM 2391 CD2 LEU A 151 9.462 5.078 -10.159 1.00 0.01 C ATOM 0 H LEU A 151 7.895 2.196 -9.716 1.00 0.01 H new ATOM 0 HA LEU A 151 8.111 3.841 -12.212 1.00 0.01 H new ATOM 0 HB2 LEU A 151 10.001 2.285 -10.442 1.00 0.01 H new ATOM 0 HB3 LEU A 151 10.392 2.393 -12.147 1.00 0.01 H new ATOM 0 HG LEU A 151 11.381 4.237 -10.697 1.00 0.01 H new ATOM 0 HD11 LEU A 151 10.862 6.068 -12.296 1.00 0.01 H new ATOM 0 HD12 LEU A 151 11.151 4.529 -13.140 1.00 0.01 H new ATOM 0 HD13 LEU A 151 9.489 5.126 -12.924 1.00 0.01 H new ATOM 0 HD21 LEU A 151 9.850 6.086 -10.012 1.00 0.01 H new ATOM 0 HD22 LEU A 151 8.458 5.134 -10.579 1.00 0.01 H new ATOM 0 HD23 LEU A 151 9.427 4.560 -9.201 1.00 0.01 H new ATOM 2403 N ASP A 152 8.358 1.787 -13.838 1.00 0.01 N ATOM 2404 CA ASP A 152 8.057 0.671 -14.790 1.00 0.01 C ATOM 2405 C ASP A 152 9.358 -0.053 -15.145 1.00 0.00 C ATOM 2406 O ASP A 152 9.819 -0.912 -14.420 1.00 0.01 O ATOM 2407 CB ASP A 152 7.441 1.249 -16.065 1.00 1.04 C ATOM 2408 CG ASP A 152 6.075 1.857 -15.742 1.00 1.54 C ATOM 2409 OD1 ASP A 152 5.811 2.085 -14.574 1.00 2.27 O ATOM 2410 OD2 ASP A 152 5.316 2.085 -16.669 1.00 1.57 O ATOM 0 H ASP A 152 8.868 2.570 -14.246 1.00 0.01 H new ATOM 0 HA ASP A 152 7.360 -0.028 -14.328 1.00 0.01 H new ATOM 0 HB2 ASP A 152 8.099 2.009 -16.487 1.00 1.04 H new ATOM 0 HB3 ASP A 152 7.334 0.467 -16.817 1.00 1.04 H new ATOM 2415 N LYS A 153 9.956 0.288 -16.255 1.00 0.01 N ATOM 2416 CA LYS A 153 11.228 -0.381 -16.654 1.00 0.01 C ATOM 2417 C LYS A 153 11.766 0.260 -17.938 1.00 0.01 C ATOM 2418 O LYS A 153 12.065 -0.421 -18.898 1.00 0.01 O ATOM 2419 CB LYS A 153 10.968 -1.871 -16.901 1.00 0.38 C ATOM 2420 CG LYS A 153 9.695 -2.036 -17.734 1.00 0.71 C ATOM 2421 CD LYS A 153 9.496 -3.514 -18.075 1.00 0.72 C ATOM 2422 CE LYS A 153 8.143 -3.701 -18.762 1.00 1.09 C ATOM 2423 NZ LYS A 153 8.028 -2.752 -19.903 1.00 1.84 N ATOM 0 H LYS A 153 9.619 1.001 -16.902 1.00 0.01 H new ATOM 0 HA LYS A 153 11.961 -0.266 -15.856 1.00 0.01 H new ATOM 0 HB2 LYS A 153 11.816 -2.318 -17.421 1.00 0.38 H new ATOM 0 HB3 LYS A 153 10.864 -2.395 -15.951 1.00 0.38 H new ATOM 0 HG2 LYS A 153 8.834 -1.661 -17.180 1.00 0.71 H new ATOM 0 HG3 LYS A 153 9.767 -1.447 -18.649 1.00 0.71 H new ATOM 0 HD2 LYS A 153 10.298 -3.859 -18.728 1.00 0.72 H new ATOM 0 HD3 LYS A 153 9.542 -4.117 -17.168 1.00 0.72 H new ATOM 0 HE2 LYS A 153 8.043 -4.727 -19.117 1.00 1.09 H new ATOM 0 HE3 LYS A 153 7.335 -3.530 -18.050 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 7.285 -3.079 -20.553 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 7.783 -1.807 -19.545 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 8.935 -2.706 -20.409 1.00 1.84 H new ATOM 2437 N LYS A 154 11.886 1.567 -17.959 1.00 0.00 N ATOM 2438 CA LYS A 154 12.402 2.274 -19.177 1.00 0.01 C ATOM 2439 C LYS A 154 13.752 2.921 -18.859 1.00 0.01 C ATOM 2440 O LYS A 154 14.425 2.545 -17.919 1.00 0.00 O ATOM 2441 CB LYS A 154 11.407 3.362 -19.588 1.00 0.39 C ATOM 2442 CG LYS A 154 10.019 2.744 -19.761 1.00 0.48 C ATOM 2443 CD LYS A 154 9.068 3.781 -20.362 1.00 0.97 C ATOM 2444 CE LYS A 154 7.673 3.169 -20.508 1.00 1.44 C ATOM 2445 NZ LYS A 154 6.830 4.051 -21.363 1.00 2.28 N ATOM 0 H LYS A 154 11.647 2.179 -17.179 1.00 0.00 H new ATOM 0 HA LYS A 154 12.523 1.558 -19.990 1.00 0.01 H new ATOM 0 HB2 LYS A 154 11.376 4.146 -18.831 1.00 0.39 H new ATOM 0 HB3 LYS A 154 11.727 3.830 -20.519 1.00 0.39 H new ATOM 0 HG2 LYS A 154 10.077 1.870 -20.409 1.00 0.48 H new ATOM 0 HG3 LYS A 154 9.639 2.402 -18.798 1.00 0.48 H new ATOM 0 HD2 LYS A 154 9.025 4.664 -19.724 1.00 0.97 H new ATOM 0 HD3 LYS A 154 9.437 4.108 -21.334 1.00 0.97 H new ATOM 0 HE2 LYS A 154 7.745 2.176 -20.951 1.00 1.44 H new ATOM 0 HE3 LYS A 154 7.213 3.048 -19.527 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 5.882 3.635 -21.462 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 6.752 4.990 -20.922 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 7.267 4.145 -22.302 1.00 2.28 H new ATOM 2459 N GLU A 155 14.151 3.895 -19.641 1.00 0.01 N ATOM 2460 CA GLU A 155 15.459 4.586 -19.402 1.00 0.01 C ATOM 2461 C GLU A 155 15.191 5.977 -18.823 1.00 0.01 C ATOM 2462 O GLU A 155 14.743 6.871 -19.514 1.00 0.01 O ATOM 2463 CB GLU A 155 16.207 4.732 -20.732 1.00 0.01 C ATOM 2464 CG GLU A 155 16.341 3.363 -21.403 1.00 0.01 C ATOM 2465 CD GLU A 155 17.294 2.485 -20.592 1.00 0.01 C ATOM 2466 OE1 GLU A 155 17.953 3.014 -19.712 1.00 0.01 O ATOM 2467 OE2 GLU A 155 17.350 1.298 -20.867 1.00 0.01 O ATOM 0 H GLU A 155 13.623 4.244 -20.441 1.00 0.01 H new ATOM 0 HA GLU A 155 16.061 4.003 -18.705 1.00 0.01 H new ATOM 0 HB2 GLU A 155 15.671 5.418 -21.388 1.00 0.01 H new ATOM 0 HB3 GLU A 155 17.194 5.161 -20.560 1.00 0.01 H new ATOM 0 HG2 GLU A 155 15.364 2.885 -21.476 1.00 0.01 H new ATOM 0 HG3 GLU A 155 16.715 3.480 -22.420 1.00 0.01 H new ATOM 2474 N TYR A 156 15.455 6.165 -17.554 1.00 0.00 N ATOM 2475 CA TYR A 156 15.208 7.493 -16.911 1.00 0.01 C ATOM 2476 C TYR A 156 16.521 8.275 -16.803 1.00 0.01 C ATOM 2477 O TYR A 156 17.443 7.868 -16.125 1.00 0.01 O ATOM 2478 CB TYR A 156 14.616 7.262 -15.524 1.00 0.01 C ATOM 2479 CG TYR A 156 13.478 6.272 -15.632 1.00 0.00 C ATOM 2480 CD1 TYR A 156 12.177 6.723 -15.885 1.00 0.01 C ATOM 2481 CD2 TYR A 156 13.726 4.902 -15.476 1.00 0.01 C ATOM 2482 CE1 TYR A 156 11.125 5.806 -15.985 1.00 0.01 C ATOM 2483 CE2 TYR A 156 12.672 3.986 -15.575 1.00 0.01 C ATOM 2484 CZ TYR A 156 11.373 4.436 -15.828 1.00 0.01 C ATOM 2485 OH TYR A 156 10.335 3.533 -15.925 1.00 0.01 O ATOM 0 H TYR A 156 15.833 5.451 -16.932 1.00 0.00 H new ATOM 0 HA TYR A 156 14.511 8.074 -17.515 1.00 0.01 H new ATOM 0 HB2 TYR A 156 15.381 6.883 -14.847 1.00 0.01 H new ATOM 0 HB3 TYR A 156 14.258 8.203 -15.106 1.00 0.01 H new ATOM 0 HD1 TYR A 156 11.985 7.779 -16.003 1.00 0.01 H new ATOM 0 HD2 TYR A 156 14.729 4.553 -15.280 1.00 0.01 H new ATOM 0 HE1 TYR A 156 10.122 6.154 -16.183 1.00 0.01 H new ATOM 0 HE2 TYR A 156 12.863 2.930 -15.456 1.00 0.01 H new ATOM 0 HH TYR A 156 10.029 3.485 -16.855 1.00 0.01 H new ATOM 2495 N ARG A 157 16.629 9.374 -17.506 1.00 0.01 N ATOM 2496 CA ARG A 157 17.904 10.162 -17.485 1.00 0.01 C ATOM 2497 C ARG A 157 17.849 11.314 -16.473 1.00 0.00 C ATOM 2498 O ARG A 157 18.879 11.783 -16.024 1.00 0.01 O ATOM 2499 CB ARG A 157 18.148 10.740 -18.879 1.00 0.01 C ATOM 2500 CG ARG A 157 16.882 11.447 -19.366 1.00 0.01 C ATOM 2501 CD ARG A 157 17.197 12.243 -20.634 1.00 0.00 C ATOM 2502 NE ARG A 157 15.963 12.933 -21.108 1.00 0.01 N ATOM 2503 CZ ARG A 157 16.051 13.898 -21.984 1.00 0.01 C ATOM 2504 NH1 ARG A 157 17.218 14.255 -22.443 1.00 0.01 N ATOM 2505 NH2 ARG A 157 14.972 14.503 -22.401 1.00 0.01 N ATOM 0 H ARG A 157 15.891 9.761 -18.094 1.00 0.01 H new ATOM 0 HA ARG A 157 18.711 9.492 -17.189 1.00 0.01 H new ATOM 0 HB2 ARG A 157 18.982 11.441 -18.853 1.00 0.01 H new ATOM 0 HB3 ARG A 157 18.422 9.944 -19.572 1.00 0.01 H new ATOM 0 HG2 ARG A 157 16.099 10.716 -19.568 1.00 0.01 H new ATOM 0 HG3 ARG A 157 16.504 12.113 -18.591 1.00 0.01 H new ATOM 0 HD2 ARG A 157 17.980 12.974 -20.432 1.00 0.00 H new ATOM 0 HD3 ARG A 157 17.575 11.577 -21.410 1.00 0.00 H new ATOM 0 HE ARG A 157 15.051 12.652 -20.748 1.00 0.01 H new ATOM 0 HH11 ARG A 157 18.061 13.781 -22.118 1.00 0.01 H new ATOM 0 HH12 ARG A 157 17.288 15.008 -23.127 1.00 0.01 H new ATOM 0 HH21 ARG A 157 14.059 14.222 -22.043 1.00 0.01 H new ATOM 0 HH22 ARG A 157 15.042 15.256 -23.085 1.00 0.01 H new ATOM 2519 N LYS A 158 16.677 11.777 -16.095 1.00 0.01 N ATOM 2520 CA LYS A 158 16.581 12.901 -15.100 1.00 0.01 C ATOM 2521 C LYS A 158 15.632 12.482 -13.958 1.00 0.01 C ATOM 2522 O LYS A 158 14.758 11.664 -14.160 1.00 0.01 O ATOM 2523 CB LYS A 158 16.014 14.138 -15.818 1.00 0.58 C ATOM 2524 CG LYS A 158 17.145 14.885 -16.534 1.00 0.97 C ATOM 2525 CD LYS A 158 16.578 16.111 -17.252 1.00 1.44 C ATOM 2526 CE LYS A 158 17.726 16.946 -17.825 1.00 2.13 C ATOM 2527 NZ LYS A 158 17.194 18.248 -18.315 1.00 2.54 N ATOM 0 H LYS A 158 15.781 11.425 -16.433 1.00 0.01 H new ATOM 0 HA LYS A 158 17.563 13.130 -14.686 1.00 0.01 H new ATOM 0 HB2 LYS A 158 15.253 13.836 -16.537 1.00 0.58 H new ATOM 0 HB3 LYS A 158 15.529 14.797 -15.098 1.00 0.58 H new ATOM 0 HG2 LYS A 158 17.904 15.192 -15.814 1.00 0.97 H new ATOM 0 HG3 LYS A 158 17.633 14.225 -17.251 1.00 0.97 H new ATOM 0 HD2 LYS A 158 15.907 15.799 -18.052 1.00 1.44 H new ATOM 0 HD3 LYS A 158 15.989 16.711 -16.559 1.00 1.44 H new ATOM 0 HE2 LYS A 158 18.484 17.115 -17.060 1.00 2.13 H new ATOM 0 HE3 LYS A 158 18.210 16.408 -18.640 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 17.973 18.817 -18.705 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 16.486 18.076 -19.057 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 16.752 18.761 -17.526 1.00 2.54 H new ATOM 2541 N PRO A 159 15.763 13.052 -12.775 1.00 0.01 N ATOM 2542 CA PRO A 159 14.838 12.698 -11.656 1.00 0.02 C ATOM 2543 C PRO A 159 13.385 13.037 -12.027 1.00 0.01 C ATOM 2544 O PRO A 159 12.473 12.299 -11.709 1.00 0.01 O ATOM 2545 CB PRO A 159 15.361 13.574 -10.499 1.00 0.41 C ATOM 2546 CG PRO A 159 16.396 14.562 -11.074 1.00 0.70 C ATOM 2547 CD PRO A 159 16.815 14.062 -12.465 1.00 0.28 C ATOM 0 HA PRO A 159 14.825 11.637 -11.407 1.00 0.02 H new ATOM 0 HB2 PRO A 159 14.539 14.115 -10.030 1.00 0.41 H new ATOM 0 HB3 PRO A 159 15.816 12.953 -9.727 1.00 0.41 H new ATOM 0 HG2 PRO A 159 15.969 15.563 -11.142 1.00 0.70 H new ATOM 0 HG3 PRO A 159 17.263 14.629 -10.417 1.00 0.70 H new ATOM 0 HD2 PRO A 159 16.832 14.868 -13.198 1.00 0.28 H new ATOM 0 HD3 PRO A 159 17.811 13.620 -12.454 1.00 0.28 H new ATOM 2555 N VAL A 160 13.153 14.139 -12.681 1.00 0.01 N ATOM 2556 CA VAL A 160 11.753 14.498 -13.049 1.00 0.02 C ATOM 2557 C VAL A 160 11.180 13.406 -13.953 1.00 0.02 C ATOM 2558 O VAL A 160 9.979 13.265 -14.083 1.00 0.02 O ATOM 2559 CB VAL A 160 11.751 15.837 -13.790 1.00 0.14 C ATOM 2560 CG1 VAL A 160 10.309 16.288 -14.028 1.00 0.86 C ATOM 2561 CG2 VAL A 160 12.480 16.885 -12.947 1.00 0.74 C ATOM 0 H VAL A 160 13.867 14.805 -12.976 1.00 0.01 H new ATOM 0 HA VAL A 160 11.143 14.585 -12.150 1.00 0.02 H new ATOM 0 HB VAL A 160 12.258 15.723 -14.748 1.00 0.14 H new ATOM 0 HG11 VAL A 160 10.308 17.242 -14.556 1.00 0.86 H new ATOM 0 HG12 VAL A 160 9.788 15.541 -14.628 1.00 0.86 H new ATOM 0 HG13 VAL A 160 9.801 16.403 -13.070 1.00 0.86 H new ATOM 0 HG21 VAL A 160 12.480 17.840 -13.473 1.00 0.74 H new ATOM 0 HG22 VAL A 160 11.973 16.999 -11.989 1.00 0.74 H new ATOM 0 HG23 VAL A 160 13.508 16.565 -12.777 1.00 0.74 H new ATOM 2571 N ASP A 161 12.015 12.629 -14.582 1.00 0.00 N ATOM 2572 CA ASP A 161 11.483 11.557 -15.465 1.00 0.01 C ATOM 2573 C ASP A 161 10.721 10.525 -14.625 1.00 0.01 C ATOM 2574 O ASP A 161 9.964 9.728 -15.141 1.00 0.01 O ATOM 2575 CB ASP A 161 12.639 10.868 -16.190 1.00 0.00 C ATOM 2576 CG ASP A 161 12.092 10.028 -17.345 1.00 0.02 C ATOM 2577 OD1 ASP A 161 10.895 9.789 -17.364 1.00 0.00 O ATOM 2578 OD2 ASP A 161 12.878 9.639 -18.193 1.00 0.00 O ATOM 0 H ASP A 161 13.032 12.688 -14.524 1.00 0.00 H new ATOM 0 HA ASP A 161 10.806 11.999 -16.197 1.00 0.01 H new ATOM 0 HB2 ASP A 161 13.340 11.612 -16.568 1.00 0.00 H new ATOM 0 HB3 ASP A 161 13.191 10.234 -15.496 1.00 0.00 H new ATOM 2583 N TRP A 162 10.901 10.552 -13.327 1.00 0.01 N ATOM 2584 CA TRP A 162 10.171 9.591 -12.440 1.00 0.01 C ATOM 2585 C TRP A 162 8.916 10.283 -11.892 1.00 0.01 C ATOM 2586 O TRP A 162 8.251 9.761 -11.017 1.00 0.01 O ATOM 2587 CB TRP A 162 11.055 9.198 -11.246 1.00 0.01 C ATOM 2588 CG TRP A 162 12.077 8.191 -11.662 1.00 0.02 C ATOM 2589 CD1 TRP A 162 12.542 8.015 -12.920 1.00 0.01 C ATOM 2590 CD2 TRP A 162 12.774 7.220 -10.828 1.00 0.01 C ATOM 2591 NE1 TRP A 162 13.475 6.991 -12.909 1.00 0.01 N ATOM 2592 CE2 TRP A 162 13.651 6.472 -11.644 1.00 0.01 C ATOM 2593 CE3 TRP A 162 12.727 6.919 -9.456 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 14.453 5.459 -11.121 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 13.534 5.901 -8.925 1.00 0.01 C ATOM 2596 CH2 TRP A 162 14.395 5.172 -9.757 1.00 0.01 C ATOM 0 H TRP A 162 11.523 11.199 -12.842 1.00 0.01 H new ATOM 0 HA TRP A 162 9.911 8.702 -13.015 1.00 0.01 H new ATOM 0 HB2 TRP A 162 11.550 10.083 -10.845 1.00 0.01 H new ATOM 0 HB3 TRP A 162 10.437 8.789 -10.447 1.00 0.01 H new ATOM 0 HD1 TRP A 162 12.237 8.579 -13.789 1.00 0.01 H new ATOM 0 HE1 TRP A 162 13.972 6.661 -13.737 1.00 0.01 H new ATOM 0 HE3 TRP A 162 12.066 7.474 -8.807 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 15.114 4.900 -11.767 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 13.491 5.678 -7.869 1.00 0.01 H new ATOM 0 HH2 TRP A 162 15.013 4.389 -9.343 1.00 0.01 H new ATOM 2607 N GLY A 163 8.563 11.427 -12.404 1.00 0.02 N ATOM 2608 CA GLY A 163 7.328 12.107 -11.915 1.00 0.01 C ATOM 2609 C GLY A 163 7.592 12.819 -10.587 1.00 0.01 C ATOM 2610 O GLY A 163 6.682 13.269 -9.921 1.00 0.01 O ATOM 0 H GLY A 163 9.072 11.921 -13.137 1.00 0.02 H new ATOM 0 HA2 GLY A 163 6.985 12.827 -12.658 1.00 0.01 H new ATOM 0 HA3 GLY A 163 6.530 11.375 -11.789 1.00 0.01 H new ATOM 2614 N ALA A 164 8.832 12.901 -10.185 1.00 0.01 N ATOM 2615 CA ALA A 164 9.166 13.559 -8.884 1.00 0.02 C ATOM 2616 C ALA A 164 9.625 14.996 -9.126 1.00 0.01 C ATOM 2617 O ALA A 164 10.323 15.296 -10.073 1.00 0.02 O ATOM 2618 CB ALA A 164 10.320 12.796 -8.232 1.00 0.01 C ATOM 0 H ALA A 164 9.633 12.539 -10.703 1.00 0.01 H new ATOM 0 HA ALA A 164 8.283 13.557 -8.245 1.00 0.02 H new ATOM 0 HB1 ALA A 164 10.575 13.265 -7.281 1.00 0.01 H new ATOM 0 HB2 ALA A 164 10.021 11.762 -8.058 1.00 0.01 H new ATOM 0 HB3 ALA A 164 11.188 12.816 -8.891 1.00 0.01 H new ATOM 2624 N ALA A 165 9.236 15.886 -8.255 1.00 0.02 N ATOM 2625 CA ALA A 165 9.636 17.313 -8.396 1.00 0.01 C ATOM 2626 C ALA A 165 11.012 17.527 -7.762 1.00 0.02 C ATOM 2627 O ALA A 165 11.612 18.571 -7.916 1.00 0.01 O ATOM 2628 CB ALA A 165 8.617 18.210 -7.690 1.00 0.59 C ATOM 0 H ALA A 165 8.652 15.682 -7.444 1.00 0.02 H new ATOM 0 HA ALA A 165 9.675 17.567 -9.455 1.00 0.01 H new ATOM 0 HB1 ALA A 165 8.915 19.253 -7.797 1.00 0.59 H new ATOM 0 HB2 ALA A 165 7.634 18.066 -8.138 1.00 0.59 H new ATOM 0 HB3 ALA A 165 8.575 17.951 -6.632 1.00 0.59 H new ATOM 2634 N SER A 166 11.529 16.546 -7.062 1.00 0.01 N ATOM 2635 CA SER A 166 12.878 16.691 -6.435 1.00 0.01 C ATOM 2636 C SER A 166 13.596 15.327 -6.484 1.00 0.02 C ATOM 2637 O SER A 166 12.949 14.301 -6.436 1.00 0.01 O ATOM 2638 CB SER A 166 12.716 17.127 -4.978 1.00 0.72 C ATOM 2639 OG SER A 166 13.884 16.777 -4.250 1.00 0.87 O ATOM 0 H SER A 166 11.072 15.649 -6.898 1.00 0.01 H new ATOM 0 HA SER A 166 13.461 17.439 -6.973 1.00 0.01 H new ATOM 0 HB2 SER A 166 12.549 18.203 -4.925 1.00 0.72 H new ATOM 0 HB3 SER A 166 11.842 16.647 -4.538 1.00 0.72 H new ATOM 0 HG SER A 166 13.784 17.057 -3.316 1.00 0.87 H new ATOM 2645 N PRO A 167 14.914 15.288 -6.563 1.00 0.02 N ATOM 2646 CA PRO A 167 15.638 13.979 -6.597 1.00 0.01 C ATOM 2647 C PRO A 167 15.700 13.312 -5.214 1.00 0.01 C ATOM 2648 O PRO A 167 16.555 12.482 -4.961 1.00 0.01 O ATOM 2649 CB PRO A 167 17.040 14.413 -7.047 1.00 0.38 C ATOM 2650 CG PRO A 167 17.191 15.898 -6.695 1.00 0.35 C ATOM 2651 CD PRO A 167 15.780 16.505 -6.639 1.00 0.22 C ATOM 0 HA PRO A 167 15.159 13.241 -7.240 1.00 0.01 H new ATOM 0 HB2 PRO A 167 17.805 13.820 -6.547 1.00 0.38 H new ATOM 0 HB3 PRO A 167 17.165 14.257 -8.118 1.00 0.38 H new ATOM 0 HG2 PRO A 167 17.697 16.015 -5.737 1.00 0.35 H new ATOM 0 HG3 PRO A 167 17.799 16.409 -7.441 1.00 0.35 H new ATOM 0 HD2 PRO A 167 15.650 17.152 -5.772 1.00 0.22 H new ATOM 0 HD3 PRO A 167 15.560 17.106 -7.521 1.00 0.22 H new ATOM 2659 N ALA A 168 14.838 13.688 -4.303 1.00 0.01 N ATOM 2660 CA ALA A 168 14.907 13.090 -2.936 1.00 0.01 C ATOM 2661 C ALA A 168 14.184 11.740 -2.874 1.00 0.01 C ATOM 2662 O ALA A 168 13.010 11.620 -3.163 1.00 0.02 O ATOM 2663 CB ALA A 168 14.251 14.042 -1.937 1.00 0.18 C ATOM 0 H ALA A 168 14.098 14.375 -4.444 1.00 0.01 H new ATOM 0 HA ALA A 168 15.957 12.932 -2.691 1.00 0.01 H new ATOM 0 HB1 ALA A 168 14.299 13.610 -0.937 1.00 0.18 H new ATOM 0 HB2 ALA A 168 14.777 14.997 -1.945 1.00 0.18 H new ATOM 0 HB3 ALA A 168 13.209 14.199 -2.215 1.00 0.18 H new ATOM 2669 N ILE A 169 14.910 10.734 -2.462 1.00 0.01 N ATOM 2670 CA ILE A 169 14.348 9.357 -2.324 1.00 0.01 C ATOM 2671 C ILE A 169 15.110 8.673 -1.183 1.00 0.01 C ATOM 2672 O ILE A 169 16.326 8.692 -1.158 1.00 0.01 O ATOM 2673 CB ILE A 169 14.544 8.583 -3.644 1.00 1.81 C ATOM 2674 CG1 ILE A 169 14.406 9.540 -4.837 1.00 2.75 C ATOM 2675 CG2 ILE A 169 13.490 7.481 -3.757 1.00 2.24 C ATOM 2676 CD1 ILE A 169 14.554 8.757 -6.143 1.00 3.99 C ATOM 0 H ILE A 169 15.895 10.812 -2.209 1.00 0.01 H new ATOM 0 HA ILE A 169 13.280 9.385 -2.106 1.00 0.01 H new ATOM 0 HB ILE A 169 15.539 8.139 -3.649 1.00 1.81 H new ATOM 0 HG12 ILE A 169 13.436 10.037 -4.807 1.00 2.75 H new ATOM 0 HG13 ILE A 169 15.166 10.320 -4.781 1.00 2.75 H new ATOM 0 HG21 ILE A 169 13.632 6.936 -4.691 1.00 2.24 H new ATOM 0 HG22 ILE A 169 13.591 6.794 -2.917 1.00 2.24 H new ATOM 0 HG23 ILE A 169 12.495 7.926 -3.744 1.00 2.24 H new ATOM 0 HD11 ILE A 169 14.456 9.438 -6.989 1.00 3.99 H new ATOM 0 HD12 ILE A 169 15.534 8.281 -6.173 1.00 3.99 H new ATOM 0 HD13 ILE A 169 13.778 7.994 -6.200 1.00 3.99 H new ATOM 2688 N GLN A 170 14.418 8.110 -0.211 1.00 0.01 N ATOM 2689 CA GLN A 170 15.118 7.475 0.956 1.00 0.01 C ATOM 2690 C GLN A 170 14.962 5.946 1.002 1.00 0.02 C ATOM 2691 O GLN A 170 15.723 5.296 1.688 1.00 0.01 O ATOM 2692 CB GLN A 170 14.557 8.065 2.252 1.00 2.62 C ATOM 2693 CG GLN A 170 14.824 9.572 2.286 1.00 3.39 C ATOM 2694 CD GLN A 170 16.308 9.824 2.559 1.00 4.36 C ATOM 2695 OE1 GLN A 170 17.053 10.166 1.663 1.00 4.83 O ATOM 2696 NE2 GLN A 170 16.771 9.666 3.769 1.00 5.17 N ATOM 0 H GLN A 170 13.400 8.064 -0.178 1.00 0.01 H new ATOM 0 HA GLN A 170 16.181 7.687 0.843 1.00 0.01 H new ATOM 0 HB2 GLN A 170 13.486 7.873 2.317 1.00 2.62 H new ATOM 0 HB3 GLN A 170 15.020 7.584 3.113 1.00 2.62 H new ATOM 0 HG2 GLN A 170 14.537 10.024 1.337 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.217 10.042 3.060 1.00 3.39 H new ATOM 0 HE21 GLN A 170 16.145 9.379 4.521 1.00 5.17 H new ATOM 0 HE22 GLN A 170 17.759 9.830 3.962 1.00 5.17 H new ATOM 2705 N SER A 171 14.027 5.324 0.318 1.00 0.01 N ATOM 2706 CA SER A 171 13.952 3.828 0.431 1.00 0.01 C ATOM 2707 C SER A 171 13.222 3.242 -0.785 1.00 0.01 C ATOM 2708 O SER A 171 12.484 3.923 -1.469 1.00 0.01 O ATOM 2709 CB SER A 171 13.202 3.453 1.712 1.00 0.01 C ATOM 2710 OG SER A 171 12.093 4.325 1.880 1.00 0.02 O ATOM 0 H SER A 171 13.338 5.765 -0.291 1.00 0.01 H new ATOM 0 HA SER A 171 14.962 3.421 0.465 1.00 0.01 H new ATOM 0 HB2 SER A 171 12.861 2.419 1.658 1.00 0.01 H new ATOM 0 HB3 SER A 171 13.869 3.524 2.571 1.00 0.01 H new ATOM 0 HG SER A 171 12.246 4.902 2.657 1.00 0.02 H new ATOM 2716 N PHE A 172 13.398 1.963 -1.042 1.00 0.01 N ATOM 2717 CA PHE A 172 12.683 1.328 -2.199 1.00 0.01 C ATOM 2718 C PHE A 172 12.436 -0.159 -1.939 1.00 0.01 C ATOM 2719 O PHE A 172 13.143 -0.800 -1.180 1.00 0.01 O ATOM 2720 CB PHE A 172 13.468 1.511 -3.510 1.00 1.06 C ATOM 2721 CG PHE A 172 14.948 1.189 -3.361 1.00 0.75 C ATOM 2722 CD1 PHE A 172 15.371 -0.127 -3.113 1.00 0.75 C ATOM 2723 CD2 PHE A 172 15.904 2.208 -3.511 1.00 1.29 C ATOM 2724 CE1 PHE A 172 16.737 -0.418 -3.009 1.00 1.16 C ATOM 2725 CE2 PHE A 172 17.270 1.914 -3.413 1.00 2.02 C ATOM 2726 CZ PHE A 172 17.686 0.601 -3.160 1.00 1.92 C ATOM 0 H PHE A 172 14.000 1.338 -0.506 1.00 0.01 H new ATOM 0 HA PHE A 172 11.721 1.830 -2.303 1.00 0.01 H new ATOM 0 HB2 PHE A 172 13.037 0.870 -4.279 1.00 1.06 H new ATOM 0 HB3 PHE A 172 13.357 2.539 -3.854 1.00 1.06 H new ATOM 0 HD1 PHE A 172 14.642 -0.916 -3.002 1.00 0.75 H new ATOM 0 HD2 PHE A 172 15.584 3.222 -3.703 1.00 1.29 H new ATOM 0 HE1 PHE A 172 17.059 -1.430 -2.812 1.00 1.16 H new ATOM 0 HE2 PHE A 172 18.002 2.699 -3.532 1.00 2.02 H new ATOM 0 HZ PHE A 172 18.739 0.374 -3.081 1.00 1.92 H new ATOM 2736 N ARG A 173 11.413 -0.713 -2.551 1.00 0.01 N ATOM 2737 CA ARG A 173 11.085 -2.155 -2.335 1.00 0.01 C ATOM 2738 C ARG A 173 10.537 -2.772 -3.625 1.00 0.01 C ATOM 2739 O ARG A 173 9.897 -2.116 -4.426 1.00 0.01 O ATOM 2740 CB ARG A 173 10.000 -2.274 -1.263 1.00 0.01 C ATOM 2741 CG ARG A 173 10.553 -1.868 0.103 1.00 0.01 C ATOM 2742 CD ARG A 173 9.561 -2.291 1.189 1.00 0.01 C ATOM 2743 NE ARG A 173 9.620 -3.769 1.365 1.00 0.01 N ATOM 2744 CZ ARG A 173 9.084 -4.321 2.419 1.00 0.01 C ATOM 2745 NH1 ARG A 173 8.493 -3.579 3.315 1.00 0.01 N ATOM 2746 NH2 ARG A 173 9.139 -5.614 2.575 1.00 0.01 N ATOM 0 H ARG A 173 10.790 -0.223 -3.193 1.00 0.01 H new ATOM 0 HA ARG A 173 11.993 -2.674 -2.028 1.00 0.01 H new ATOM 0 HB2 ARG A 173 9.153 -1.639 -1.522 1.00 0.01 H new ATOM 0 HB3 ARG A 173 9.630 -3.299 -1.223 1.00 0.01 H new ATOM 0 HG2 ARG A 173 11.521 -2.340 0.273 1.00 0.01 H new ATOM 0 HG3 ARG A 173 10.713 -0.790 0.139 1.00 0.01 H new ATOM 0 HD2 ARG A 173 9.799 -1.792 2.128 1.00 0.01 H new ATOM 0 HD3 ARG A 173 8.551 -1.987 0.913 1.00 0.01 H new ATOM 0 HE ARG A 173 10.079 -4.349 0.662 1.00 0.01 H new ATOM 0 HH11 ARG A 173 8.450 -2.567 3.192 1.00 0.01 H new ATOM 0 HH12 ARG A 173 8.074 -4.011 4.139 1.00 0.01 H new ATOM 0 HH21 ARG A 173 9.601 -6.193 1.874 1.00 0.01 H new ATOM 0 HH22 ARG A 173 8.720 -6.047 3.398 1.00 0.01 H new ATOM 2760 N ARG A 174 10.771 -4.044 -3.815 1.00 0.01 N ATOM 2761 CA ARG A 174 10.259 -4.738 -5.034 1.00 0.01 C ATOM 2762 C ARG A 174 8.845 -5.270 -4.765 1.00 0.01 C ATOM 2763 O ARG A 174 8.543 -5.727 -3.681 1.00 0.01 O ATOM 2764 CB ARG A 174 11.175 -5.913 -5.381 1.00 0.01 C ATOM 2765 CG ARG A 174 11.489 -6.708 -4.112 1.00 0.01 C ATOM 2766 CD ARG A 174 12.165 -8.026 -4.488 1.00 0.01 C ATOM 2767 NE ARG A 174 12.490 -8.785 -3.248 1.00 0.01 N ATOM 2768 CZ ARG A 174 12.795 -10.051 -3.320 1.00 0.01 C ATOM 2769 NH1 ARG A 174 12.813 -10.652 -4.478 1.00 0.01 N ATOM 2770 NH2 ARG A 174 13.080 -10.715 -2.235 1.00 0.01 N ATOM 0 H ARG A 174 11.299 -4.636 -3.174 1.00 0.01 H new ATOM 0 HA ARG A 174 10.237 -4.032 -5.864 1.00 0.01 H new ATOM 0 HB2 ARG A 174 10.694 -6.558 -6.117 1.00 0.01 H new ATOM 0 HB3 ARG A 174 12.098 -5.548 -5.832 1.00 0.01 H new ATOM 0 HG2 ARG A 174 12.140 -6.127 -3.458 1.00 0.01 H new ATOM 0 HG3 ARG A 174 10.572 -6.903 -3.557 1.00 0.01 H new ATOM 0 HD2 ARG A 174 11.508 -8.616 -5.127 1.00 0.01 H new ATOM 0 HD3 ARG A 174 13.074 -7.832 -5.058 1.00 0.01 H new ATOM 0 HE ARG A 174 12.474 -8.315 -2.343 1.00 0.01 H new ATOM 0 HH11 ARG A 174 12.589 -10.132 -5.326 1.00 0.01 H new ATOM 0 HH12 ARG A 174 13.051 -11.642 -4.535 1.00 0.01 H new ATOM 0 HH21 ARG A 174 13.064 -10.244 -1.330 1.00 0.01 H new ATOM 0 HH22 ARG A 174 13.319 -11.705 -2.291 1.00 0.01 H new ATOM 2784 N ILE A 175 7.983 -5.242 -5.754 1.00 0.01 N ATOM 2785 CA ILE A 175 6.599 -5.782 -5.542 1.00 0.01 C ATOM 2786 C ILE A 175 6.559 -7.248 -5.981 1.00 0.00 C ATOM 2787 O ILE A 175 6.984 -7.586 -7.067 1.00 0.01 O ATOM 2788 CB ILE A 175 5.563 -5.002 -6.357 1.00 1.52 C ATOM 2789 CG1 ILE A 175 5.787 -3.490 -6.188 1.00 2.51 C ATOM 2790 CG2 ILE A 175 4.161 -5.375 -5.856 1.00 1.75 C ATOM 2791 CD1 ILE A 175 4.558 -2.699 -6.683 1.00 3.04 C ATOM 0 H ILE A 175 8.172 -4.875 -6.686 1.00 0.01 H new ATOM 0 HA ILE A 175 6.357 -5.684 -4.484 1.00 0.01 H new ATOM 0 HB ILE A 175 5.663 -5.254 -7.413 1.00 1.52 H new ATOM 0 HG12 ILE A 175 5.976 -3.260 -5.139 1.00 2.51 H new ATOM 0 HG13 ILE A 175 6.672 -3.184 -6.746 1.00 2.51 H new ATOM 0 HG21 ILE A 175 3.412 -4.827 -6.428 1.00 1.75 H new ATOM 0 HG22 ILE A 175 4.002 -6.446 -5.983 1.00 1.75 H new ATOM 0 HG23 ILE A 175 4.071 -5.118 -4.801 1.00 1.75 H new ATOM 0 HD11 ILE A 175 4.737 -1.631 -6.555 1.00 3.04 H new ATOM 0 HD12 ILE A 175 4.387 -2.914 -7.738 1.00 3.04 H new ATOM 0 HD13 ILE A 175 3.681 -2.992 -6.106 1.00 3.04 H new ATOM 2803 N VAL A 176 6.054 -8.123 -5.146 1.00 0.01 N ATOM 2804 CA VAL A 176 5.985 -9.574 -5.510 1.00 0.00 C ATOM 2805 C VAL A 176 4.618 -10.135 -5.113 1.00 0.01 C ATOM 2806 O VAL A 176 4.031 -9.729 -4.130 1.00 0.00 O ATOM 2807 CB VAL A 176 7.070 -10.344 -4.757 1.00 1.38 C ATOM 2808 CG1 VAL A 176 6.840 -10.207 -3.252 1.00 1.88 C ATOM 2809 CG2 VAL A 176 7.013 -11.822 -5.151 1.00 1.89 C ATOM 0 H VAL A 176 5.685 -7.894 -4.223 1.00 0.01 H new ATOM 0 HA VAL A 176 6.134 -9.680 -6.585 1.00 0.00 H new ATOM 0 HB VAL A 176 8.049 -9.938 -5.013 1.00 1.38 H new ATOM 0 HG11 VAL A 176 7.613 -10.756 -2.714 1.00 1.88 H new ATOM 0 HG12 VAL A 176 6.881 -9.154 -2.972 1.00 1.88 H new ATOM 0 HG13 VAL A 176 5.862 -10.613 -2.995 1.00 1.88 H new ATOM 0 HG21 VAL A 176 7.786 -12.372 -4.614 1.00 1.89 H new ATOM 0 HG22 VAL A 176 6.035 -12.229 -4.895 1.00 1.89 H new ATOM 0 HG23 VAL A 176 7.177 -11.919 -6.224 1.00 1.89 H new ATOM 2819 N GLU A 177 4.108 -11.069 -5.870 1.00 0.01 N ATOM 2820 CA GLU A 177 2.779 -11.659 -5.540 1.00 0.01 C ATOM 2821 C GLU A 177 2.904 -12.522 -4.283 1.00 0.01 C ATOM 2822 CB GLU A 177 2.298 -12.525 -6.707 1.00 2.15 C ATOM 2823 CG GLU A 177 0.821 -12.876 -6.509 1.00 3.19 C ATOM 2824 CD GLU A 177 0.415 -13.955 -7.514 1.00 4.20 C ATOM 2825 OE1 GLU A 177 0.774 -13.824 -8.673 1.00 4.77 O ATOM 2826 OE2 GLU A 177 -0.249 -14.896 -7.109 1.00 4.89 O ATOM 0 H GLU A 177 4.555 -11.449 -6.704 1.00 0.01 H new ATOM 0 HA GLU A 177 2.061 -10.858 -5.363 1.00 0.01 H new ATOM 0 HB2 GLU A 177 2.433 -11.992 -7.648 1.00 2.15 H new ATOM 0 HB3 GLU A 177 2.894 -13.436 -6.768 1.00 2.15 H new ATOM 0 HG2 GLU A 177 0.653 -13.230 -5.492 1.00 3.19 H new ATOM 0 HG3 GLU A 177 0.204 -11.988 -6.643 1.00 3.19 H new