USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=40 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 114 CYS SG : rot 110:sc= -2.8! USER MOD Set 1.2: A 120 GLN : amide:sc= -5.75! C(o=-8.5!,f=-7.3!) USER MOD Set 2.1: A 92 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Set 2.2: A 111 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 70 GLN : amide:sc= -0.0434 X(o=-0.043,f=-0.51) USER MOD Single : A 6 LYS NZ :NH3+ -139:sc= 0 (180deg=-1.18) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.737 USER MOD Single : A 14 ASN : amide:sc= -0.877 X(o=-0.88,f=-0.63) USER MOD Single : A 16 GLN : amide:sc= -0.0163 K(o=-0.016,f=-1.4!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -95:sc= -1.3! USER MOD Single : A 24 CYS SG : rot 67:sc= 0.106 USER MOD Single : A 26 CYS SG : rot -166:sc= 0.431 USER MOD Single : A 31 SER OG : rot -22:sc= -0.701 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -26:sc= 0.353 USER MOD Single : A 36 CYS SG : rot 41:sc= -2.56! USER MOD Single : A 37 ASN : amide:sc= -9.07! C(o=-9.1!,f=-6.3!) USER MOD Single : A 38 SER OG : rot 55: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= -0.582 X(o=-0.58,f=-0.26) USER MOD Single : A 55 SER OG : rot -90:sc= 1.31 USER MOD Single : A 57 HIS : no HE2:sc= -3.18! C(o=-3.2!,f=-4.8!) 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= -4.51! C(o=-4.5!,f=-5.3!) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.117 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.01 K(o=-2,f=-3.6!) USER MOD Single : A 81 SER OG : rot -170:sc= -1.74! USER MOD Single : A 82 CYS SG : rot 24:sc= 0.188 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 130:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.272 USER MOD Single : A 94 LYS NZ :NH3+ 153:sc= -1.07 (180deg=-1.82) USER MOD Single : A 96 GLN : amide:sc= -2.09 X(o=-2.1,f=-2) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -2.52 K(o=-2.5,f=-0.65) USER MOD Single : A 106 GLN : amide:sc= -0.185 X(o=-0.19,f=-0.19) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0474 USER MOD Single : A 116 SER OG : rot 180:sc= -0.0424 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -1.88! C(o=-1.9!,f=-3.7!) USER MOD Single : A 127 HIS : no HD1:sc= -0.171 K(o=-0.17,f=-0.84) USER MOD Single : A 128 SER OG : rot 125:sc= -0.655! USER MOD Single : A 129 CYS SG : rot 44:sc= -0.963 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot 180:sc= -0.503 USER MOD Single : A 139 TYR OH : rot 180:sc= -0.0844 USER MOD Single : A 143 ASN : amide:sc= -4! K(o=-4!,f=-0.15) USER MOD Single : A 144 TYR OH : rot 180:sc= -0.248 USER MOD Single : A 148 GLN : amide:sc= -0.66 K(o=-0.66,f=-1.2) USER MOD Single : A 149 TYR OH : rot 150:sc= -0.129 USER MOD Single : A 153 LYS NZ :NH3+ 169:sc= -5.09! (180deg=-5.11!) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 180:sc=-0.00537 USER MOD Single : A 158 LYS NZ :NH3+ -153:sc= -0.185 (180deg=-1.08) USER MOD Single : A 166 SER OG : rot 180:sc= -0.407 USER MOD Single : A 170 GLN : amide:sc= -0.0413 X(o=-0.041,f=-0.042) USER MOD Single : A 171 SER OG : rot -127:sc= -0.471 USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 13.910 -12.143 1.014 1.00 0.01 N ATOM 58 CA GLY A 5 13.582 -10.909 0.242 1.00 0.01 C ATOM 59 C GLY A 5 14.721 -9.899 0.390 1.00 0.01 C ATOM 60 O GLY A 5 15.362 -9.819 1.419 1.00 0.01 O ATOM 0 HA2 GLY A 5 13.433 -11.154 -0.810 1.00 0.01 H new ATOM 0 HA3 GLY A 5 12.649 -10.477 0.604 1.00 0.01 H new ATOM 64 N LYS A 6 14.985 -9.132 -0.634 1.00 0.00 N ATOM 65 CA LYS A 6 16.093 -8.128 -0.556 1.00 0.01 C ATOM 66 C LYS A 6 15.810 -6.974 -1.523 1.00 0.01 C ATOM 67 O LYS A 6 15.388 -7.182 -2.650 1.00 0.00 O ATOM 68 CB LYS A 6 17.434 -8.801 -0.908 1.00 0.02 C ATOM 69 CG LYS A 6 18.592 -8.086 -0.198 1.00 0.02 C ATOM 70 CD LYS A 6 19.911 -8.812 -0.501 1.00 0.02 C ATOM 71 CE LYS A 6 20.973 -8.416 0.529 1.00 0.02 C ATOM 72 NZ LYS A 6 20.729 -9.155 1.799 1.00 0.02 N ATOM 0 H LYS A 6 14.483 -9.155 -1.522 1.00 0.00 H new ATOM 0 HA LYS A 6 16.154 -7.734 0.459 1.00 0.01 H new ATOM 0 HB2 LYS A 6 17.410 -9.850 -0.614 1.00 0.02 H new ATOM 0 HB3 LYS A 6 17.589 -8.776 -1.987 1.00 0.02 H new ATOM 0 HG2 LYS A 6 18.651 -7.050 -0.531 1.00 0.02 H new ATOM 0 HG3 LYS A 6 18.415 -8.066 0.877 1.00 0.02 H new ATOM 0 HD2 LYS A 6 19.756 -9.891 -0.480 1.00 0.02 H new ATOM 0 HD3 LYS A 6 20.253 -8.559 -1.505 1.00 0.02 H new ATOM 0 HE2 LYS A 6 21.968 -8.644 0.148 1.00 0.02 H new ATOM 0 HE3 LYS A 6 20.939 -7.341 0.708 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 20.881 -8.517 2.606 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 19.750 -9.506 1.814 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 21.386 -9.959 1.865 1.00 0.02 H new ATOM 86 N ILE A 7 16.068 -5.758 -1.085 1.00 0.02 N ATOM 87 CA ILE A 7 15.848 -4.557 -1.952 1.00 0.00 C ATOM 88 C ILE A 7 17.107 -3.678 -1.938 1.00 0.02 C ATOM 89 O ILE A 7 17.740 -3.505 -0.915 1.00 0.01 O ATOM 90 CB ILE A 7 14.627 -3.784 -1.446 1.00 0.02 C ATOM 91 CG1 ILE A 7 14.479 -2.477 -2.230 1.00 0.02 C ATOM 92 CG2 ILE A 7 14.798 -3.465 0.036 1.00 0.01 C ATOM 93 CD1 ILE A 7 13.135 -1.828 -1.886 1.00 0.02 C ATOM 0 H ILE A 7 16.425 -5.549 -0.153 1.00 0.02 H new ATOM 0 HA ILE A 7 15.658 -4.865 -2.980 1.00 0.00 H new ATOM 0 HB ILE A 7 13.736 -4.396 -1.587 1.00 0.02 H new ATOM 0 HG12 ILE A 7 15.296 -1.799 -1.985 1.00 0.02 H new ATOM 0 HG13 ILE A 7 14.537 -2.673 -3.301 1.00 0.02 H new ATOM 0 HG21 ILE A 7 13.927 -2.915 0.393 1.00 0.01 H new ATOM 0 HG22 ILE A 7 14.896 -4.393 0.599 1.00 0.01 H new ATOM 0 HG23 ILE A 7 15.693 -2.859 0.177 1.00 0.01 H new ATOM 0 HD11 ILE A 7 13.027 -0.897 -2.443 1.00 0.02 H new ATOM 0 HD12 ILE A 7 12.325 -2.506 -2.153 1.00 0.02 H new ATOM 0 HD13 ILE A 7 13.095 -1.618 -0.817 1.00 0.02 H new ATOM 105 N SER A 8 17.469 -3.119 -3.073 1.00 0.02 N ATOM 106 CA SER A 8 18.685 -2.239 -3.151 1.00 0.02 C ATOM 107 C SER A 8 18.290 -0.841 -3.644 1.00 0.01 C ATOM 108 O SER A 8 17.619 -0.690 -4.644 1.00 0.02 O ATOM 109 CB SER A 8 19.712 -2.846 -4.113 1.00 0.30 C ATOM 110 OG SER A 8 19.722 -4.260 -3.960 1.00 0.39 O ATOM 0 H SER A 8 16.970 -3.236 -3.955 1.00 0.02 H new ATOM 0 HA SER A 8 19.124 -2.161 -2.157 1.00 0.02 H new ATOM 0 HB2 SER A 8 19.465 -2.582 -5.141 1.00 0.30 H new ATOM 0 HB3 SER A 8 20.703 -2.440 -3.909 1.00 0.30 H new ATOM 0 HG SER A 8 20.377 -4.651 -4.575 1.00 0.39 H new ATOM 116 N PHE A 9 18.723 0.183 -2.943 1.00 0.02 N ATOM 117 CA PHE A 9 18.408 1.591 -3.348 1.00 0.01 C ATOM 118 C PHE A 9 19.691 2.279 -3.842 1.00 0.01 C ATOM 119 O PHE A 9 20.753 2.085 -3.284 1.00 0.02 O ATOM 120 CB PHE A 9 17.863 2.356 -2.134 1.00 0.02 C ATOM 121 CG PHE A 9 16.929 1.473 -1.342 1.00 0.01 C ATOM 122 CD1 PHE A 9 17.447 0.514 -0.463 1.00 0.01 C ATOM 123 CD2 PHE A 9 15.542 1.619 -1.480 1.00 0.01 C ATOM 124 CE1 PHE A 9 16.579 -0.298 0.276 1.00 0.02 C ATOM 125 CE2 PHE A 9 14.676 0.806 -0.742 1.00 0.02 C ATOM 126 CZ PHE A 9 15.193 -0.153 0.138 1.00 0.02 C ATOM 0 H PHE A 9 19.288 0.101 -2.098 1.00 0.02 H new ATOM 0 HA PHE A 9 17.665 1.584 -4.145 1.00 0.01 H new ATOM 0 HB2 PHE A 9 18.688 2.686 -1.502 1.00 0.02 H new ATOM 0 HB3 PHE A 9 17.337 3.251 -2.465 1.00 0.02 H new ATOM 0 HD1 PHE A 9 18.516 0.401 -0.355 1.00 0.01 H new ATOM 0 HD2 PHE A 9 15.142 2.360 -2.157 1.00 0.01 H new ATOM 0 HE1 PHE A 9 16.979 -1.038 0.954 1.00 0.02 H new ATOM 0 HE2 PHE A 9 13.607 0.918 -0.851 1.00 0.02 H new ATOM 0 HZ PHE A 9 14.524 -0.780 0.709 1.00 0.02 H new ATOM 136 N TYR A 10 19.606 3.075 -4.887 1.00 0.02 N ATOM 137 CA TYR A 10 20.825 3.774 -5.424 1.00 0.01 C ATOM 138 C TYR A 10 20.597 5.293 -5.409 1.00 0.02 C ATOM 139 O TYR A 10 19.523 5.775 -5.719 1.00 0.01 O ATOM 140 CB TYR A 10 21.072 3.323 -6.868 1.00 0.02 C ATOM 141 CG TYR A 10 20.958 1.815 -6.966 1.00 0.02 C ATOM 142 CD1 TYR A 10 19.703 1.198 -6.879 1.00 0.02 C ATOM 143 CD2 TYR A 10 22.108 1.035 -7.153 1.00 0.00 C ATOM 144 CE1 TYR A 10 19.597 -0.194 -6.977 1.00 0.02 C ATOM 145 CE2 TYR A 10 21.999 -0.358 -7.251 1.00 0.02 C ATOM 146 CZ TYR A 10 20.744 -0.970 -7.163 1.00 0.00 C ATOM 147 OH TYR A 10 20.639 -2.341 -7.261 1.00 0.02 O ATOM 0 H TYR A 10 18.742 3.271 -5.393 1.00 0.02 H new ATOM 0 HA TYR A 10 21.686 3.526 -4.803 1.00 0.01 H new ATOM 0 HB2 TYR A 10 20.349 3.795 -7.534 1.00 0.02 H new ATOM 0 HB3 TYR A 10 22.062 3.643 -7.194 1.00 0.02 H new ATOM 0 HD1 TYR A 10 18.816 1.798 -6.736 1.00 0.02 H new ATOM 0 HD2 TYR A 10 23.077 1.508 -7.221 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.629 -0.668 -6.909 1.00 0.02 H new ATOM 0 HE2 TYR A 10 22.884 -0.960 -7.395 1.00 0.02 H new ATOM 0 HH TYR A 10 21.530 -2.729 -7.390 1.00 0.02 H new ATOM 157 N GLU A 11 21.588 6.051 -5.019 1.00 0.00 N ATOM 158 CA GLU A 11 21.408 7.528 -4.947 1.00 0.02 C ATOM 159 C GLU A 11 21.281 8.154 -6.338 1.00 0.03 C ATOM 160 O GLU A 11 20.662 9.189 -6.482 1.00 0.03 O ATOM 161 CB GLU A 11 22.610 8.151 -4.236 1.00 0.00 C ATOM 162 CG GLU A 11 22.617 7.721 -2.770 1.00 0.00 C ATOM 163 CD GLU A 11 23.680 8.514 -2.007 1.00 0.02 C ATOM 164 OE1 GLU A 11 24.760 8.691 -2.548 1.00 0.02 O ATOM 165 OE2 GLU A 11 23.395 8.930 -0.896 1.00 0.01 O ATOM 0 H GLU A 11 22.511 5.711 -4.748 1.00 0.00 H new ATOM 0 HA GLU A 11 20.487 7.724 -4.397 1.00 0.02 H new ATOM 0 HB2 GLU A 11 23.535 7.839 -4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.564 9.238 -4.307 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.636 7.889 -2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.822 6.653 -2.695 1.00 0.00 H new ATOM 172 N ASP A 12 21.854 7.562 -7.365 1.00 0.02 N ATOM 173 CA ASP A 12 21.747 8.165 -8.735 1.00 0.01 C ATOM 174 C ASP A 12 20.928 7.251 -9.650 1.00 0.02 C ATOM 175 O ASP A 12 20.609 6.124 -9.316 1.00 0.02 O ATOM 176 CB ASP A 12 23.145 8.339 -9.332 1.00 0.01 C ATOM 177 CG ASP A 12 23.067 9.240 -10.566 1.00 0.01 C ATOM 178 OD1 ASP A 12 22.720 8.736 -11.622 1.00 0.03 O ATOM 179 OD2 ASP A 12 23.353 10.419 -10.435 1.00 0.02 O ATOM 0 H ASP A 12 22.387 6.694 -7.313 1.00 0.02 H new ATOM 0 HA ASP A 12 21.254 9.134 -8.653 1.00 0.01 H new ATOM 0 HB2 ASP A 12 23.816 8.776 -8.592 1.00 0.01 H new ATOM 0 HB3 ASP A 12 23.559 7.368 -9.604 1.00 0.01 H new ATOM 184 N ARG A 13 20.587 7.750 -10.803 1.00 0.02 N ATOM 185 CA ARG A 13 19.781 6.963 -11.778 1.00 0.02 C ATOM 186 C ARG A 13 20.657 5.905 -12.453 1.00 0.00 C ATOM 187 O ARG A 13 21.865 6.021 -12.508 1.00 0.02 O ATOM 188 CB ARG A 13 19.237 7.923 -12.837 1.00 0.00 C ATOM 189 CG ARG A 13 18.127 8.780 -12.227 1.00 0.01 C ATOM 190 CD ARG A 13 17.819 9.957 -13.158 1.00 0.02 C ATOM 191 NE ARG A 13 17.844 9.492 -14.575 1.00 0.03 N ATOM 192 CZ ARG A 13 17.321 10.234 -15.513 1.00 0.02 C ATOM 193 NH1 ARG A 13 16.774 11.380 -15.212 1.00 0.02 N ATOM 194 NH2 ARG A 13 17.344 9.828 -16.752 1.00 0.02 N ATOM 0 H ARG A 13 20.837 8.687 -11.118 1.00 0.02 H new ATOM 0 HA ARG A 13 18.963 6.461 -11.261 1.00 0.02 H new ATOM 0 HB2 ARG A 13 20.038 8.560 -13.212 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.851 7.362 -13.688 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.231 8.179 -12.075 1.00 0.01 H new ATOM 0 HG3 ARG A 13 18.434 9.148 -11.248 1.00 0.01 H new ATOM 0 HD2 ARG A 13 16.842 10.377 -12.919 1.00 0.02 H new ATOM 0 HD3 ARG A 13 18.551 10.751 -13.012 1.00 0.02 H new ATOM 0 HE ARG A 13 18.269 8.595 -14.811 1.00 0.03 H new ATOM 0 HH11 ARG A 13 16.755 11.697 -14.243 1.00 0.02 H new ATOM 0 HH12 ARG A 13 16.366 11.959 -15.946 1.00 0.02 H new ATOM 0 HH21 ARG A 13 17.770 8.932 -16.987 1.00 0.02 H new ATOM 0 HH22 ARG A 13 16.936 10.407 -17.486 1.00 0.02 H new ATOM 208 N ASN A 14 20.040 4.879 -12.979 1.00 0.02 N ATOM 209 CA ASN A 14 20.800 3.800 -13.675 1.00 0.02 C ATOM 210 C ASN A 14 21.688 3.032 -12.688 1.00 0.02 C ATOM 211 O ASN A 14 22.779 2.605 -13.008 1.00 0.02 O ATOM 212 CB ASN A 14 21.640 4.422 -14.795 1.00 0.26 C ATOM 213 CG ASN A 14 20.860 5.572 -15.437 1.00 0.12 C ATOM 214 OD1 ASN A 14 21.398 6.637 -15.654 1.00 0.74 O ATOM 215 ND2 ASN A 14 19.606 5.399 -15.751 1.00 0.46 N ATOM 0 H ASN A 14 19.030 4.742 -12.955 1.00 0.02 H new ATOM 0 HA ASN A 14 20.098 3.086 -14.105 1.00 0.02 H new ATOM 0 HB2 ASN A 14 22.586 4.788 -14.395 1.00 0.26 H new ATOM 0 HB3 ASN A 14 21.881 3.669 -15.545 1.00 0.26 H new ATOM 0 HD21 ASN A 14 19.078 6.159 -16.179 1.00 0.46 H new ATOM 0 HD22 ASN A 14 19.153 4.503 -15.569 1.00 0.46 H new ATOM 222 N PHE A 15 21.194 2.879 -11.483 1.00 0.02 N ATOM 223 CA PHE A 15 21.923 2.150 -10.397 1.00 0.02 C ATOM 224 C PHE A 15 23.358 2.651 -10.259 1.00 0.00 C ATOM 225 O PHE A 15 24.289 1.886 -10.107 1.00 0.02 O ATOM 226 CB PHE A 15 21.905 0.627 -10.642 1.00 0.02 C ATOM 227 CG PHE A 15 22.255 0.300 -12.075 1.00 0.02 C ATOM 228 CD1 PHE A 15 21.245 0.214 -13.042 1.00 0.02 C ATOM 229 CD2 PHE A 15 23.590 0.080 -12.436 1.00 0.02 C ATOM 230 CE1 PHE A 15 21.569 -0.092 -14.369 1.00 0.02 C ATOM 231 CE2 PHE A 15 23.914 -0.226 -13.765 1.00 0.02 C ATOM 232 CZ PHE A 15 22.904 -0.312 -14.730 1.00 0.02 C ATOM 0 H PHE A 15 20.284 3.242 -11.199 1.00 0.02 H new ATOM 0 HA PHE A 15 21.402 2.353 -9.461 1.00 0.02 H new ATOM 0 HB2 PHE A 15 22.613 0.140 -9.972 1.00 0.02 H new ATOM 0 HB3 PHE A 15 20.918 0.230 -10.406 1.00 0.02 H new ATOM 0 HD1 PHE A 15 20.215 0.384 -12.763 1.00 0.02 H new ATOM 0 HD2 PHE A 15 24.369 0.146 -11.691 1.00 0.02 H new ATOM 0 HE1 PHE A 15 20.790 -0.158 -15.114 1.00 0.02 H new ATOM 0 HE2 PHE A 15 24.943 -0.395 -14.044 1.00 0.02 H new ATOM 0 HZ PHE A 15 23.154 -0.548 -15.754 1.00 0.02 H new ATOM 242 N GLN A 16 23.525 3.946 -10.280 1.00 0.02 N ATOM 243 CA GLN A 16 24.880 4.558 -10.118 1.00 0.02 C ATOM 244 C GLN A 16 24.904 5.313 -8.785 1.00 0.02 C ATOM 245 O GLN A 16 23.874 5.559 -8.184 1.00 0.02 O ATOM 246 CB GLN A 16 25.133 5.543 -11.265 1.00 0.02 C ATOM 247 CG GLN A 16 25.522 4.772 -12.530 1.00 0.00 C ATOM 248 CD GLN A 16 25.532 5.722 -13.728 1.00 0.00 C ATOM 249 OE1 GLN A 16 24.758 6.658 -13.782 1.00 0.02 O ATOM 250 NE2 GLN A 16 26.384 5.524 -14.696 1.00 0.02 N ATOM 0 H GLN A 16 22.768 4.618 -10.405 1.00 0.02 H new ATOM 0 HA GLN A 16 25.650 3.787 -10.132 1.00 0.02 H new ATOM 0 HB2 GLN A 16 24.239 6.138 -11.450 1.00 0.02 H new ATOM 0 HB3 GLN A 16 25.927 6.238 -10.992 1.00 0.02 H new ATOM 0 HG2 GLN A 16 26.506 4.319 -12.404 1.00 0.00 H new ATOM 0 HG3 GLN A 16 24.817 3.959 -12.704 1.00 0.00 H new ATOM 0 HE21 GLN A 16 27.034 4.739 -14.651 1.00 0.02 H new ATOM 0 HE22 GLN A 16 26.401 6.154 -15.498 1.00 0.02 H new ATOM 259 N GLY A 17 26.063 5.686 -8.308 1.00 0.03 N ATOM 260 CA GLY A 17 26.129 6.429 -7.014 1.00 0.03 C ATOM 261 C GLY A 17 26.234 5.454 -5.834 1.00 0.02 C ATOM 262 O GLY A 17 26.471 4.274 -6.005 1.00 0.02 O ATOM 0 H GLY A 17 26.962 5.510 -8.756 1.00 0.03 H new ATOM 0 HA2 GLY A 17 26.989 7.098 -7.017 1.00 0.03 H new ATOM 0 HA3 GLY A 17 25.241 7.051 -6.900 1.00 0.03 H new ATOM 266 N ARG A 18 26.047 5.947 -4.638 1.00 0.00 N ATOM 267 CA ARG A 18 26.118 5.067 -3.434 1.00 0.02 C ATOM 268 C ARG A 18 24.924 4.109 -3.441 1.00 0.02 C ATOM 269 O ARG A 18 23.829 4.465 -3.831 1.00 0.02 O ATOM 270 CB ARG A 18 26.068 5.945 -2.180 1.00 0.79 C ATOM 271 CG ARG A 18 26.512 5.129 -0.965 1.00 1.49 C ATOM 272 CD ARG A 18 26.399 5.985 0.297 1.00 1.42 C ATOM 273 NE ARG A 18 26.494 5.113 1.502 1.00 2.07 N ATOM 274 CZ ARG A 18 26.718 5.642 2.674 1.00 2.35 C ATOM 275 NH1 ARG A 18 26.860 6.934 2.792 1.00 2.53 N ATOM 276 NH2 ARG A 18 26.798 4.879 3.729 1.00 2.76 N ATOM 0 H ARG A 18 25.847 6.928 -4.442 1.00 0.00 H new ATOM 0 HA ARG A 18 27.043 4.490 -3.442 1.00 0.02 H new ATOM 0 HB2 ARG A 18 26.716 6.812 -2.305 1.00 0.79 H new ATOM 0 HB3 ARG A 18 25.057 6.322 -2.028 1.00 0.79 H new ATOM 0 HG2 ARG A 18 25.894 4.237 -0.868 1.00 1.49 H new ATOM 0 HG3 ARG A 18 27.540 4.792 -1.097 1.00 1.49 H new ATOM 0 HD2 ARG A 18 27.192 6.733 0.313 1.00 1.42 H new ATOM 0 HD3 ARG A 18 25.452 6.524 0.299 1.00 1.42 H new ATOM 0 HE ARG A 18 26.384 4.103 1.411 1.00 2.07 H new ATOM 0 HH11 ARG A 18 26.796 7.531 1.968 1.00 2.53 H new ATOM 0 HH12 ARG A 18 27.035 7.346 3.708 1.00 2.53 H new ATOM 0 HH21 ARG A 18 26.686 3.869 3.638 1.00 2.76 H new ATOM 0 HH22 ARG A 18 26.973 5.292 4.645 1.00 2.76 H new ATOM 290 N ARG A 19 25.141 2.880 -3.030 1.00 0.02 N ATOM 291 CA ARG A 19 24.044 1.861 -3.026 1.00 0.02 C ATOM 292 C ARG A 19 23.856 1.291 -1.616 1.00 0.02 C ATOM 293 O ARG A 19 24.792 1.178 -0.848 1.00 0.02 O ATOM 294 CB ARG A 19 24.445 0.717 -3.966 1.00 0.85 C ATOM 295 CG ARG A 19 23.278 -0.262 -4.143 1.00 1.31 C ATOM 296 CD ARG A 19 23.765 -1.511 -4.885 1.00 1.34 C ATOM 297 NE ARG A 19 24.465 -2.412 -3.929 1.00 1.50 N ATOM 298 CZ ARG A 19 24.692 -3.655 -4.252 1.00 1.63 C ATOM 299 NH1 ARG A 19 24.303 -4.109 -5.412 1.00 1.72 N ATOM 300 NH2 ARG A 19 25.307 -4.444 -3.415 1.00 1.89 N ATOM 0 H ARG A 19 26.041 2.538 -2.694 1.00 0.02 H new ATOM 0 HA ARG A 19 23.114 2.328 -3.351 1.00 0.02 H new ATOM 0 HB2 ARG A 19 24.740 1.120 -4.935 1.00 0.85 H new ATOM 0 HB3 ARG A 19 25.311 0.192 -3.562 1.00 0.85 H new ATOM 0 HG2 ARG A 19 22.872 -0.539 -3.170 1.00 1.31 H new ATOM 0 HG3 ARG A 19 22.472 0.214 -4.701 1.00 1.31 H new ATOM 0 HD2 ARG A 19 22.921 -2.030 -5.339 1.00 1.34 H new ATOM 0 HD3 ARG A 19 24.438 -1.228 -5.694 1.00 1.34 H new ATOM 0 HE ARG A 19 24.767 -2.057 -3.022 1.00 1.50 H new ATOM 0 HH11 ARG A 19 23.822 -3.492 -6.066 1.00 1.72 H new ATOM 0 HH12 ARG A 19 24.480 -5.081 -5.665 1.00 1.72 H new ATOM 0 HH21 ARG A 19 25.610 -4.089 -2.508 1.00 1.89 H new ATOM 0 HH22 ARG A 19 25.485 -5.416 -3.667 1.00 1.89 H new ATOM 314 N TYR A 20 22.651 0.893 -1.297 1.00 0.02 N ATOM 315 CA TYR A 20 22.382 0.275 0.042 1.00 0.02 C ATOM 316 C TYR A 20 21.480 -0.943 -0.132 1.00 0.02 C ATOM 317 O TYR A 20 20.483 -0.883 -0.818 1.00 0.02 O ATOM 318 CB TYR A 20 21.707 1.261 0.996 1.00 0.02 C ATOM 319 CG TYR A 20 21.789 0.686 2.389 1.00 0.01 C ATOM 320 CD1 TYR A 20 20.886 -0.305 2.788 1.00 0.01 C ATOM 321 CD2 TYR A 20 22.788 1.117 3.266 1.00 0.02 C ATOM 322 CE1 TYR A 20 20.977 -0.862 4.068 1.00 0.02 C ATOM 323 CE2 TYR A 20 22.884 0.559 4.546 1.00 0.02 C ATOM 324 CZ TYR A 20 21.978 -0.430 4.949 1.00 0.02 C ATOM 325 OH TYR A 20 22.072 -0.980 6.211 1.00 0.01 O ATOM 0 H TYR A 20 21.837 0.969 -1.907 1.00 0.02 H new ATOM 0 HA TYR A 20 23.340 -0.016 0.473 1.00 0.02 H new ATOM 0 HB2 TYR A 20 22.201 2.232 0.954 1.00 0.02 H new ATOM 0 HB3 TYR A 20 20.668 1.419 0.709 1.00 0.02 H new ATOM 0 HD1 TYR A 20 20.118 -0.640 2.107 1.00 0.01 H new ATOM 0 HD2 TYR A 20 23.486 1.881 2.956 1.00 0.02 H new ATOM 0 HE1 TYR A 20 20.277 -1.624 4.377 1.00 0.02 H new ATOM 0 HE2 TYR A 20 23.657 0.891 5.223 1.00 0.02 H new ATOM 0 HH TYR A 20 22.821 -0.569 6.692 1.00 0.01 H new ATOM 335 N ASP A 21 21.813 -2.041 0.496 1.00 0.01 N ATOM 336 CA ASP A 21 20.974 -3.277 0.389 1.00 0.02 C ATOM 337 C ASP A 21 20.274 -3.520 1.733 1.00 0.00 C ATOM 338 O ASP A 21 20.870 -3.394 2.784 1.00 0.01 O ATOM 339 CB ASP A 21 21.886 -4.464 0.061 1.00 0.12 C ATOM 340 CG ASP A 21 22.905 -4.048 -1.002 1.00 0.41 C ATOM 341 OD1 ASP A 21 22.602 -4.199 -2.176 1.00 0.56 O ATOM 342 OD2 ASP A 21 23.970 -3.585 -0.628 1.00 1.12 O ATOM 0 H ASP A 21 22.640 -2.137 1.086 1.00 0.01 H new ATOM 0 HA ASP A 21 20.226 -3.162 -0.395 1.00 0.02 H new ATOM 0 HB2 ASP A 21 22.401 -4.800 0.961 1.00 0.12 H new ATOM 0 HB3 ASP A 21 21.292 -5.304 -0.299 1.00 0.12 H new ATOM 347 N CYS A 22 19.000 -3.853 1.698 1.00 0.01 N ATOM 348 CA CYS A 22 18.233 -4.093 2.965 1.00 0.00 C ATOM 349 C CYS A 22 17.531 -5.451 2.896 1.00 0.02 C ATOM 350 O CYS A 22 16.987 -5.831 1.874 1.00 0.01 O ATOM 351 CB CYS A 22 17.191 -2.987 3.135 1.00 0.00 C ATOM 352 SG CYS A 22 16.320 -3.223 4.705 1.00 0.02 S ATOM 0 H CYS A 22 18.458 -3.969 0.841 1.00 0.01 H new ATOM 0 HA CYS A 22 18.918 -4.089 3.813 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.674 -2.010 3.117 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.483 -3.008 2.306 1.00 0.00 H new ATOM 0 HG CYS A 22 15.221 -3.885 4.496 1.00 0.02 H new ATOM 358 N ASP A 23 17.549 -6.191 3.982 1.00 0.01 N ATOM 359 CA ASP A 23 16.901 -7.540 4.015 1.00 0.02 C ATOM 360 C ASP A 23 15.789 -7.573 5.073 1.00 0.00 C ATOM 361 O ASP A 23 15.278 -8.624 5.405 1.00 0.02 O ATOM 362 CB ASP A 23 17.962 -8.588 4.360 1.00 0.16 C ATOM 363 CG ASP A 23 18.788 -8.108 5.555 1.00 0.17 C ATOM 364 OD1 ASP A 23 18.487 -7.044 6.069 1.00 0.20 O ATOM 365 OD2 ASP A 23 19.710 -8.811 5.934 1.00 0.17 O ATOM 0 H ASP A 23 17.992 -5.912 4.857 1.00 0.01 H new ATOM 0 HA ASP A 23 16.462 -7.753 3.040 1.00 0.02 H new ATOM 0 HB2 ASP A 23 17.485 -9.540 4.594 1.00 0.16 H new ATOM 0 HB3 ASP A 23 18.611 -8.759 3.501 1.00 0.16 H new ATOM 370 N CYS A 24 15.400 -6.439 5.606 1.00 0.01 N ATOM 371 CA CYS A 24 14.313 -6.435 6.635 1.00 0.01 C ATOM 372 C CYS A 24 13.703 -5.028 6.716 1.00 0.01 C ATOM 373 O CYS A 24 14.184 -4.106 6.089 1.00 0.01 O ATOM 374 CB CYS A 24 14.893 -6.824 7.993 1.00 0.62 C ATOM 375 SG CYS A 24 15.976 -5.502 8.591 1.00 1.23 S ATOM 0 H CYS A 24 15.785 -5.523 5.375 1.00 0.01 H new ATOM 0 HA CYS A 24 13.541 -7.153 6.358 1.00 0.01 H new ATOM 0 HB2 CYS A 24 14.088 -7.000 8.707 1.00 0.62 H new ATOM 0 HB3 CYS A 24 15.452 -7.756 7.908 1.00 0.62 H new ATOM 0 HG CYS A 24 15.268 -4.441 8.843 1.00 1.23 H new ATOM 381 N ASP A 25 12.647 -4.847 7.470 1.00 0.02 N ATOM 382 CA ASP A 25 12.015 -3.494 7.568 1.00 0.01 C ATOM 383 C ASP A 25 12.988 -2.484 8.183 1.00 0.02 C ATOM 384 O ASP A 25 13.771 -2.810 9.051 1.00 0.00 O ATOM 385 CB ASP A 25 10.775 -3.588 8.461 1.00 0.01 C ATOM 386 CG ASP A 25 11.121 -4.367 9.731 1.00 0.01 C ATOM 387 OD1 ASP A 25 12.263 -4.296 10.153 1.00 0.01 O ATOM 388 OD2 ASP A 25 10.242 -5.023 10.257 1.00 0.01 O ATOM 0 H ASP A 25 12.195 -5.577 8.022 1.00 0.02 H new ATOM 0 HA ASP A 25 11.745 -3.161 6.566 1.00 0.01 H new ATOM 0 HB2 ASP A 25 10.422 -2.589 8.719 1.00 0.01 H new ATOM 0 HB3 ASP A 25 9.965 -4.084 7.926 1.00 0.01 H new ATOM 393 N CYS A 26 12.921 -1.249 7.746 1.00 0.01 N ATOM 394 CA CYS A 26 13.814 -0.182 8.306 1.00 0.01 C ATOM 395 C CYS A 26 12.978 1.075 8.590 1.00 0.01 C ATOM 396 O CYS A 26 12.365 1.636 7.701 1.00 0.01 O ATOM 397 CB CYS A 26 14.908 0.147 7.293 1.00 0.01 C ATOM 398 SG CYS A 26 16.178 1.166 8.084 1.00 0.02 S ATOM 0 H CYS A 26 12.280 -0.931 7.019 1.00 0.01 H new ATOM 0 HA CYS A 26 14.273 -0.532 9.231 1.00 0.01 H new ATOM 0 HB2 CYS A 26 15.351 -0.772 6.909 1.00 0.01 H new ATOM 0 HB3 CYS A 26 14.482 0.676 6.440 1.00 0.01 H new ATOM 0 HG CYS A 26 16.938 1.696 7.173 1.00 0.02 H new ATOM 404 N ALA A 27 12.917 1.494 9.828 1.00 0.01 N ATOM 405 CA ALA A 27 12.083 2.683 10.181 1.00 0.01 C ATOM 406 C ALA A 27 12.771 3.997 9.784 1.00 0.01 C ATOM 407 O ALA A 27 12.120 5.015 9.637 1.00 0.02 O ATOM 408 CB ALA A 27 11.818 2.686 11.687 1.00 0.24 C ATOM 0 H ALA A 27 13.409 1.064 10.611 1.00 0.01 H new ATOM 0 HA ALA A 27 11.146 2.613 9.629 1.00 0.01 H new ATOM 0 HB1 ALA A 27 11.210 3.552 11.948 1.00 0.24 H new ATOM 0 HB2 ALA A 27 11.289 1.774 11.965 1.00 0.24 H new ATOM 0 HB3 ALA A 27 12.766 2.734 12.223 1.00 0.24 H new ATOM 414 N ASP A 28 14.068 4.001 9.624 1.00 0.01 N ATOM 415 CA ASP A 28 14.767 5.274 9.250 1.00 0.02 C ATOM 416 C ASP A 28 16.065 4.954 8.508 1.00 0.01 C ATOM 417 O ASP A 28 17.035 4.529 9.101 1.00 0.02 O ATOM 418 CB ASP A 28 15.085 6.075 10.514 1.00 0.67 C ATOM 419 CG ASP A 28 15.717 5.153 11.558 1.00 0.90 C ATOM 420 OD1 ASP A 28 16.919 4.959 11.495 1.00 0.87 O ATOM 421 OD2 ASP A 28 14.987 4.659 12.400 1.00 1.14 O ATOM 0 H ASP A 28 14.673 3.187 9.734 1.00 0.01 H new ATOM 0 HA ASP A 28 14.118 5.862 8.601 1.00 0.02 H new ATOM 0 HB2 ASP A 28 15.765 6.893 10.277 1.00 0.67 H new ATOM 0 HB3 ASP A 28 14.174 6.522 10.912 1.00 0.67 H new ATOM 426 N PHE A 29 16.093 5.154 7.209 1.00 0.02 N ATOM 427 CA PHE A 29 17.331 4.859 6.409 1.00 0.02 C ATOM 428 C PHE A 29 18.074 6.167 6.073 1.00 0.00 C ATOM 429 O PHE A 29 18.988 6.189 5.270 1.00 0.02 O ATOM 430 CB PHE A 29 16.931 4.133 5.090 1.00 2.87 C ATOM 431 CG PHE A 29 17.224 2.638 5.160 1.00 3.99 C ATOM 432 CD1 PHE A 29 18.494 2.175 5.540 1.00 4.52 C ATOM 433 CD2 PHE A 29 16.222 1.715 4.830 1.00 4.68 C ATOM 434 CE1 PHE A 29 18.752 0.803 5.597 1.00 5.75 C ATOM 435 CE2 PHE A 29 16.486 0.343 4.885 1.00 5.85 C ATOM 436 CZ PHE A 29 17.749 -0.113 5.271 1.00 6.37 C ATOM 0 H PHE A 29 15.308 5.511 6.665 1.00 0.02 H new ATOM 0 HA PHE A 29 17.991 4.221 6.996 1.00 0.02 H new ATOM 0 HB2 PHE A 29 15.869 4.287 4.897 1.00 2.87 H new ATOM 0 HB3 PHE A 29 17.475 4.572 4.253 1.00 2.87 H new ATOM 0 HD1 PHE A 29 19.273 2.881 5.789 1.00 4.52 H new ATOM 0 HD2 PHE A 29 15.244 2.064 4.533 1.00 4.68 H new ATOM 0 HE1 PHE A 29 19.729 0.450 5.894 1.00 5.75 H new ATOM 0 HE2 PHE A 29 15.712 -0.366 4.629 1.00 5.85 H new ATOM 0 HZ PHE A 29 17.950 -1.173 5.317 1.00 6.37 H new ATOM 446 N ARG A 30 17.642 7.260 6.641 1.00 0.01 N ATOM 447 CA ARG A 30 18.271 8.578 6.327 1.00 0.00 C ATOM 448 C ARG A 30 19.762 8.598 6.685 1.00 0.01 C ATOM 449 O ARG A 30 20.525 9.342 6.104 1.00 0.02 O ATOM 450 CB ARG A 30 17.562 9.685 7.119 1.00 0.32 C ATOM 451 CG ARG A 30 16.058 9.695 6.794 1.00 0.86 C ATOM 452 CD ARG A 30 15.797 10.488 5.507 1.00 1.62 C ATOM 453 NE ARG A 30 16.321 11.874 5.661 1.00 2.25 N ATOM 454 CZ ARG A 30 16.483 12.630 4.608 1.00 2.70 C ATOM 455 NH1 ARG A 30 16.187 12.173 3.423 1.00 3.11 N ATOM 456 NH2 ARG A 30 16.942 13.844 4.743 1.00 3.02 N ATOM 0 H ARG A 30 16.876 7.298 7.313 1.00 0.01 H new ATOM 0 HA ARG A 30 18.171 8.743 5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.709 9.528 8.188 1.00 0.32 H new ATOM 0 HB3 ARG A 30 18.000 10.653 6.876 1.00 0.32 H new ATOM 0 HG2 ARG A 30 15.697 8.673 6.679 1.00 0.86 H new ATOM 0 HG3 ARG A 30 15.503 10.138 7.621 1.00 0.86 H new ATOM 0 HD2 ARG A 30 16.279 9.998 4.661 1.00 1.62 H new ATOM 0 HD3 ARG A 30 14.728 10.514 5.294 1.00 1.62 H new ATOM 0 HE ARG A 30 16.553 12.232 6.587 1.00 2.25 H new ATOM 0 HH11 ARG A 30 15.828 11.224 3.317 1.00 3.11 H new ATOM 0 HH12 ARG A 30 16.314 12.765 2.602 1.00 3.11 H new ATOM 0 HH21 ARG A 30 17.174 14.201 5.670 1.00 3.02 H new ATOM 0 HH22 ARG A 30 17.069 14.435 3.922 1.00 3.02 H new ATOM 470 N SER A 31 20.193 7.823 7.644 1.00 0.02 N ATOM 471 CA SER A 31 21.635 7.859 8.033 1.00 0.02 C ATOM 472 C SER A 31 22.501 7.113 7.014 1.00 0.01 C ATOM 473 O SER A 31 23.708 7.254 7.001 1.00 0.02 O ATOM 474 CB SER A 31 21.798 7.203 9.404 1.00 0.37 C ATOM 475 OG SER A 31 21.693 5.793 9.264 1.00 0.88 O ATOM 0 H SER A 31 19.614 7.170 8.173 1.00 0.02 H new ATOM 0 HA SER A 31 21.959 8.899 8.065 1.00 0.02 H new ATOM 0 HB2 SER A 31 22.764 7.467 9.834 1.00 0.37 H new ATOM 0 HB3 SER A 31 21.034 7.570 10.089 1.00 0.37 H new ATOM 0 HG SER A 31 21.207 5.581 8.440 1.00 0.88 H new ATOM 481 N TYR A 32 21.904 6.295 6.187 1.00 0.01 N ATOM 482 CA TYR A 32 22.699 5.506 5.191 1.00 0.01 C ATOM 483 C TYR A 32 22.505 6.065 3.783 1.00 0.02 C ATOM 484 O TYR A 32 23.305 5.830 2.899 1.00 0.02 O ATOM 485 CB TYR A 32 22.217 4.061 5.235 1.00 0.02 C ATOM 486 CG TYR A 32 22.514 3.481 6.600 1.00 0.02 C ATOM 487 CD1 TYR A 32 23.768 2.916 6.863 1.00 0.01 C ATOM 488 CD2 TYR A 32 21.538 3.511 7.602 1.00 0.01 C ATOM 489 CE1 TYR A 32 24.045 2.380 8.126 1.00 0.00 C ATOM 490 CE2 TYR A 32 21.813 2.978 8.866 1.00 0.02 C ATOM 491 CZ TYR A 32 23.067 2.412 9.127 1.00 0.02 C ATOM 492 OH TYR A 32 23.339 1.883 10.371 1.00 0.02 O ATOM 0 H TYR A 32 20.897 6.137 6.156 1.00 0.01 H new ATOM 0 HA TYR A 32 23.759 5.567 5.440 1.00 0.01 H new ATOM 0 HB2 TYR A 32 21.147 4.015 5.032 1.00 0.02 H new ATOM 0 HB3 TYR A 32 22.714 3.475 4.461 1.00 0.02 H new ATOM 0 HD1 TYR A 32 24.522 2.894 6.090 1.00 0.01 H new ATOM 0 HD2 TYR A 32 20.571 3.946 7.399 1.00 0.01 H new ATOM 0 HE1 TYR A 32 25.012 1.943 8.328 1.00 0.00 H new ATOM 0 HE2 TYR A 32 21.059 3.003 9.639 1.00 0.02 H new ATOM 0 HH TYR A 32 22.555 1.987 10.949 1.00 0.02 H new ATOM 502 N LEU A 33 21.444 6.788 3.553 1.00 0.02 N ATOM 503 CA LEU A 33 21.198 7.344 2.183 1.00 0.02 C ATOM 504 C LEU A 33 20.454 8.675 2.301 1.00 0.02 C ATOM 505 O LEU A 33 19.440 8.786 2.961 1.00 0.02 O ATOM 506 CB LEU A 33 20.304 6.371 1.398 1.00 1.66 C ATOM 507 CG LEU A 33 21.099 5.130 0.959 1.00 2.38 C ATOM 508 CD1 LEU A 33 20.144 4.143 0.267 1.00 3.32 C ATOM 509 CD2 LEU A 33 22.233 5.532 -0.012 1.00 2.80 C ATOM 0 H LEU A 33 20.736 7.020 4.249 1.00 0.02 H new ATOM 0 HA LEU A 33 22.152 7.485 1.676 1.00 0.02 H new ATOM 0 HB2 LEU A 33 19.459 6.067 2.016 1.00 1.66 H new ATOM 0 HB3 LEU A 33 19.893 6.874 0.522 1.00 1.66 H new ATOM 0 HG LEU A 33 21.546 4.660 1.835 1.00 2.38 H new ATOM 0 HD11 LEU A 33 20.699 3.260 -0.048 1.00 3.32 H new ATOM 0 HD12 LEU A 33 19.358 3.849 0.963 1.00 3.32 H new ATOM 0 HD13 LEU A 33 19.697 4.620 -0.605 1.00 3.32 H new ATOM 0 HD21 LEU A 33 22.786 4.643 -0.313 1.00 2.80 H new ATOM 0 HD22 LEU A 33 21.805 6.009 -0.894 1.00 2.80 H new ATOM 0 HD23 LEU A 33 22.908 6.228 0.486 1.00 2.80 H new ATOM 521 N SER A 34 20.976 9.694 1.668 1.00 0.02 N ATOM 522 CA SER A 34 20.339 11.041 1.733 1.00 0.02 C ATOM 523 C SER A 34 19.267 11.182 0.650 1.00 0.00 C ATOM 524 O SER A 34 18.489 12.116 0.658 1.00 0.01 O ATOM 525 CB SER A 34 21.409 12.113 1.528 1.00 0.02 C ATOM 526 OG SER A 34 20.805 13.398 1.614 1.00 0.02 O ATOM 0 H SER A 34 21.825 9.648 1.104 1.00 0.02 H new ATOM 0 HA SER A 34 19.869 11.162 2.709 1.00 0.02 H new ATOM 0 HB2 SER A 34 22.190 12.014 2.282 1.00 0.02 H new ATOM 0 HB3 SER A 34 21.886 11.986 0.556 1.00 0.02 H new ATOM 0 HG SER A 34 19.859 13.332 1.368 1.00 0.02 H new ATOM 532 N ARG A 35 19.217 10.270 -0.289 1.00 0.02 N ATOM 533 CA ARG A 35 18.200 10.349 -1.376 1.00 0.01 C ATOM 534 C ARG A 35 18.266 9.052 -2.191 1.00 0.02 C ATOM 535 O ARG A 35 19.242 8.333 -2.141 1.00 0.02 O ATOM 536 CB ARG A 35 18.501 11.543 -2.286 1.00 0.02 C ATOM 537 CG ARG A 35 19.887 11.372 -2.912 1.00 0.02 C ATOM 538 CD ARG A 35 20.290 12.667 -3.619 1.00 0.02 C ATOM 539 NE ARG A 35 19.111 13.231 -4.334 1.00 0.02 N ATOM 540 CZ ARG A 35 19.128 14.468 -4.750 1.00 0.02 C ATOM 541 NH1 ARG A 35 20.179 15.211 -4.542 1.00 0.00 N ATOM 542 NH2 ARG A 35 18.095 14.960 -5.375 1.00 0.02 N ATOM 0 H ARG A 35 19.844 9.468 -0.347 1.00 0.02 H new ATOM 0 HA ARG A 35 17.206 10.477 -0.948 1.00 0.01 H new ATOM 0 HB2 ARG A 35 17.744 11.618 -3.067 1.00 0.02 H new ATOM 0 HB3 ARG A 35 18.461 12.469 -1.713 1.00 0.02 H new ATOM 0 HG2 ARG A 35 20.617 11.123 -2.142 1.00 0.02 H new ATOM 0 HG3 ARG A 35 19.878 10.545 -3.622 1.00 0.02 H new ATOM 0 HD2 ARG A 35 20.667 13.388 -2.893 1.00 0.02 H new ATOM 0 HD3 ARG A 35 21.098 12.472 -4.325 1.00 0.02 H new ATOM 0 HE ARG A 35 18.289 12.650 -4.499 1.00 0.02 H new ATOM 0 HH11 ARG A 35 20.988 14.826 -4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 35 20.193 16.178 -4.867 1.00 0.00 H new ATOM 0 HH21 ARG A 35 17.273 14.378 -5.539 1.00 0.02 H new ATOM 0 HH22 ARG A 35 18.108 15.927 -5.700 1.00 0.02 H new ATOM 556 N CYS A 36 17.244 8.750 -2.949 1.00 0.02 N ATOM 557 CA CYS A 36 17.254 7.502 -3.777 1.00 0.02 C ATOM 558 C CYS A 36 16.545 7.784 -5.105 1.00 0.02 C ATOM 559 O CYS A 36 15.372 8.103 -5.111 1.00 0.02 O ATOM 560 CB CYS A 36 16.505 6.402 -3.029 1.00 0.02 C ATOM 561 SG CYS A 36 14.965 7.082 -2.370 1.00 0.02 S ATOM 0 H CYS A 36 16.399 9.315 -3.032 1.00 0.02 H new ATOM 0 HA CYS A 36 18.280 7.185 -3.965 1.00 0.02 H new ATOM 0 HB2 CYS A 36 16.292 5.569 -3.699 1.00 0.02 H new ATOM 0 HB3 CYS A 36 17.121 6.011 -2.219 1.00 0.02 H new ATOM 0 HG CYS A 36 14.426 7.870 -3.252 1.00 0.02 H new ATOM 567 N ASN A 37 17.227 7.706 -6.230 1.00 0.02 N ATOM 568 CA ASN A 37 16.552 8.021 -7.539 1.00 0.01 C ATOM 569 C ASN A 37 16.318 6.758 -8.372 1.00 0.02 C ATOM 570 O ASN A 37 15.742 6.800 -9.443 1.00 0.02 O ATOM 571 CB ASN A 37 17.418 8.992 -8.348 1.00 0.02 C ATOM 572 CG ASN A 37 17.819 10.179 -7.467 1.00 0.01 C ATOM 573 OD1 ASN A 37 17.629 11.317 -7.842 1.00 0.03 O ATOM 574 ND2 ASN A 37 18.374 9.958 -6.306 1.00 0.02 N ATOM 0 H ASN A 37 18.210 7.441 -6.299 1.00 0.02 H new ATOM 0 HA ASN A 37 15.586 8.471 -7.311 1.00 0.01 H new ATOM 0 HB2 ASN A 37 18.308 8.482 -8.715 1.00 0.02 H new ATOM 0 HB3 ASN A 37 16.869 9.344 -9.222 1.00 0.02 H new ATOM 0 HD21 ASN A 37 18.648 10.742 -5.714 1.00 0.02 H new ATOM 0 HD22 ASN A 37 18.534 9.001 -5.991 1.00 0.02 H new ATOM 581 N SER A 38 16.730 5.626 -7.869 1.00 0.02 N ATOM 582 CA SER A 38 16.510 4.341 -8.596 1.00 0.02 C ATOM 583 C SER A 38 16.499 3.219 -7.563 1.00 0.01 C ATOM 584 O SER A 38 17.068 3.344 -6.496 1.00 0.02 O ATOM 585 CB SER A 38 17.620 4.107 -9.620 1.00 0.01 C ATOM 586 OG SER A 38 17.666 2.724 -9.953 1.00 0.02 O ATOM 0 H SER A 38 17.215 5.535 -6.976 1.00 0.02 H new ATOM 0 HA SER A 38 15.564 4.372 -9.136 1.00 0.02 H new ATOM 0 HB2 SER A 38 17.437 4.703 -10.514 1.00 0.01 H new ATOM 0 HB3 SER A 38 18.579 4.428 -9.214 1.00 0.01 H new ATOM 0 HG SER A 38 16.781 2.431 -10.255 1.00 0.02 H new ATOM 592 N ILE A 39 15.838 2.129 -7.847 1.00 0.02 N ATOM 593 CA ILE A 39 15.770 1.017 -6.848 1.00 0.02 C ATOM 594 C ILE A 39 15.725 -0.340 -7.551 1.00 0.02 C ATOM 595 O ILE A 39 15.147 -0.502 -8.606 1.00 0.02 O ATOM 596 CB ILE A 39 14.488 1.175 -6.021 1.00 0.00 C ATOM 597 CG1 ILE A 39 14.321 2.638 -5.603 1.00 0.01 C ATOM 598 CG2 ILE A 39 14.575 0.297 -4.772 1.00 0.01 C ATOM 599 CD1 ILE A 39 13.122 2.770 -4.662 1.00 0.00 C ATOM 0 H ILE A 39 15.343 1.958 -8.723 1.00 0.02 H new ATOM 0 HA ILE A 39 16.655 1.062 -6.213 1.00 0.02 H new ATOM 0 HB ILE A 39 13.632 0.871 -6.623 1.00 0.00 H new ATOM 0 HG12 ILE A 39 15.226 2.990 -5.107 1.00 0.01 H new ATOM 0 HG13 ILE A 39 14.176 3.264 -6.483 1.00 0.01 H new ATOM 0 HG21 ILE A 39 13.664 0.409 -4.184 1.00 0.01 H new ATOM 0 HG22 ILE A 39 14.690 -0.746 -5.068 1.00 0.01 H new ATOM 0 HG23 ILE A 39 15.433 0.601 -4.173 1.00 0.01 H new ATOM 0 HD11 ILE A 39 13.005 3.812 -4.366 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.220 2.435 -5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.286 2.157 -3.776 1.00 0.00 H new ATOM 611 N ARG A 40 16.299 -1.340 -6.925 1.00 0.02 N ATOM 612 CA ARG A 40 16.267 -2.723 -7.489 1.00 0.02 C ATOM 613 C ARG A 40 15.654 -3.650 -6.440 1.00 0.01 C ATOM 614 O ARG A 40 16.146 -3.751 -5.338 1.00 0.02 O ATOM 615 CB ARG A 40 17.680 -3.214 -7.826 1.00 0.01 C ATOM 616 CG ARG A 40 17.595 -4.489 -8.670 1.00 0.02 C ATOM 617 CD ARG A 40 18.992 -4.865 -9.172 1.00 0.02 C ATOM 618 NE ARG A 40 19.960 -4.824 -8.041 1.00 0.02 N ATOM 619 CZ ARG A 40 21.131 -5.387 -8.163 1.00 0.02 C ATOM 620 NH1 ARG A 40 21.452 -5.989 -9.274 1.00 0.02 N ATOM 621 NH2 ARG A 40 21.978 -5.350 -7.171 1.00 0.02 N ATOM 0 H ARG A 40 16.793 -1.253 -6.037 1.00 0.02 H new ATOM 0 HA ARG A 40 15.678 -2.722 -8.406 1.00 0.02 H new ATOM 0 HB2 ARG A 40 18.224 -2.442 -8.370 1.00 0.01 H new ATOM 0 HB3 ARG A 40 18.236 -3.410 -6.909 1.00 0.01 H new ATOM 0 HG2 ARG A 40 17.179 -5.303 -8.077 1.00 0.02 H new ATOM 0 HG3 ARG A 40 16.923 -4.335 -9.514 1.00 0.02 H new ATOM 0 HD2 ARG A 40 18.975 -5.862 -9.612 1.00 0.02 H new ATOM 0 HD3 ARG A 40 19.305 -4.176 -9.956 1.00 0.02 H new ATOM 0 HE ARG A 40 19.708 -4.356 -7.171 1.00 0.02 H new ATOM 0 HH11 ARG A 40 20.788 -6.020 -10.048 1.00 0.02 H new ATOM 0 HH12 ARG A 40 22.367 -6.429 -9.370 1.00 0.02 H new ATOM 0 HH21 ARG A 40 21.725 -4.881 -6.301 1.00 0.02 H new ATOM 0 HH22 ARG A 40 22.893 -5.790 -7.265 1.00 0.02 H new ATOM 635 N VAL A 41 14.617 -4.365 -6.785 1.00 0.02 N ATOM 636 CA VAL A 41 14.013 -5.330 -5.820 1.00 0.01 C ATOM 637 C VAL A 41 14.421 -6.724 -6.282 1.00 0.02 C ATOM 638 O VAL A 41 14.046 -7.163 -7.351 1.00 0.02 O ATOM 639 CB VAL A 41 12.495 -5.176 -5.805 1.00 0.01 C ATOM 640 CG1 VAL A 41 11.910 -6.061 -4.703 1.00 0.02 C ATOM 641 CG2 VAL A 41 12.148 -3.714 -5.511 1.00 0.00 C ATOM 0 H VAL A 41 14.161 -4.322 -7.696 1.00 0.02 H new ATOM 0 HA VAL A 41 14.362 -5.149 -4.803 1.00 0.01 H new ATOM 0 HB VAL A 41 12.083 -5.470 -6.770 1.00 0.01 H new ATOM 0 HG11 VAL A 41 10.825 -5.954 -4.688 1.00 0.02 H new ATOM 0 HG12 VAL A 41 12.170 -7.102 -4.896 1.00 0.02 H new ATOM 0 HG13 VAL A 41 12.317 -5.758 -3.738 1.00 0.02 H new ATOM 0 HG21 VAL A 41 11.065 -3.593 -5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.557 -3.431 -4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.575 -3.076 -6.285 1.00 0.00 H new ATOM 651 N GLU A 42 15.219 -7.406 -5.498 1.00 0.01 N ATOM 652 CA GLU A 42 15.696 -8.757 -5.907 1.00 0.01 C ATOM 653 C GLU A 42 14.674 -9.816 -5.531 1.00 0.02 C ATOM 654 O GLU A 42 14.507 -10.794 -6.231 1.00 0.01 O ATOM 655 CB GLU A 42 17.025 -9.064 -5.212 1.00 0.99 C ATOM 656 CG GLU A 42 18.017 -7.931 -5.481 1.00 1.86 C ATOM 657 CD GLU A 42 18.363 -7.904 -6.971 1.00 3.10 C ATOM 658 OE1 GLU A 42 18.154 -8.910 -7.629 1.00 3.67 O ATOM 659 OE2 GLU A 42 18.831 -6.876 -7.430 1.00 3.81 O ATOM 0 H GLU A 42 15.559 -7.083 -4.592 1.00 0.01 H new ATOM 0 HA GLU A 42 15.834 -8.767 -6.988 1.00 0.01 H new ATOM 0 HB2 GLU A 42 16.869 -9.177 -4.139 1.00 0.99 H new ATOM 0 HB3 GLU A 42 17.428 -10.009 -5.577 1.00 0.99 H new ATOM 0 HG2 GLU A 42 17.587 -6.976 -5.179 1.00 1.86 H new ATOM 0 HG3 GLU A 42 18.921 -8.075 -4.889 1.00 1.86 H new ATOM 666 N GLY A 43 13.987 -9.658 -4.435 1.00 0.01 N ATOM 667 CA GLY A 43 12.999 -10.702 -4.057 1.00 0.02 C ATOM 668 C GLY A 43 12.031 -10.169 -3.009 1.00 0.02 C ATOM 669 O GLY A 43 12.389 -9.326 -2.211 1.00 0.02 O ATOM 0 H GLY A 43 14.064 -8.867 -3.796 1.00 0.01 H new ATOM 0 HA2 GLY A 43 12.447 -11.024 -4.940 1.00 0.02 H new ATOM 0 HA3 GLY A 43 13.518 -11.578 -3.668 1.00 0.02 H new ATOM 673 N GLY A 44 10.825 -10.669 -2.996 1.00 0.00 N ATOM 674 CA GLY A 44 9.833 -10.206 -1.984 1.00 0.01 C ATOM 675 C GLY A 44 9.135 -8.933 -2.470 1.00 0.01 C ATOM 676 O GLY A 44 9.519 -8.335 -3.457 1.00 0.01 O ATOM 0 H GLY A 44 10.484 -11.379 -3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.095 -10.988 -1.804 1.00 0.01 H new ATOM 0 HA3 GLY A 44 10.333 -10.015 -1.035 1.00 0.01 H new ATOM 680 N THR A 45 8.127 -8.506 -1.752 1.00 0.01 N ATOM 681 CA THR A 45 7.394 -7.250 -2.115 1.00 0.00 C ATOM 682 C THR A 45 7.559 -6.269 -0.957 1.00 0.01 C ATOM 683 O THR A 45 7.465 -6.651 0.192 1.00 0.01 O ATOM 684 CB THR A 45 5.907 -7.573 -2.318 1.00 0.73 C ATOM 685 OG1 THR A 45 5.753 -8.350 -3.496 1.00 0.88 O ATOM 686 CG2 THR A 45 5.097 -6.277 -2.452 1.00 1.48 C ATOM 0 H THR A 45 7.775 -8.979 -0.919 1.00 0.01 H new ATOM 0 HA THR A 45 7.788 -6.820 -3.036 1.00 0.00 H new ATOM 0 HB THR A 45 5.542 -8.131 -1.456 1.00 0.73 H new ATOM 0 HG1 THR A 45 4.805 -8.560 -3.628 1.00 0.88 H new ATOM 0 HG21 THR A 45 4.044 -6.519 -2.596 1.00 1.48 H new ATOM 0 HG22 THR A 45 5.212 -5.681 -1.547 1.00 1.48 H new ATOM 0 HG23 THR A 45 5.459 -5.709 -3.309 1.00 1.48 H new ATOM 694 N TRP A 46 7.880 -5.024 -1.229 1.00 0.02 N ATOM 695 CA TRP A 46 8.129 -4.054 -0.109 1.00 0.01 C ATOM 696 C TRP A 46 7.276 -2.793 -0.236 1.00 0.01 C ATOM 697 O TRP A 46 6.898 -2.359 -1.304 1.00 0.01 O ATOM 698 CB TRP A 46 9.604 -3.648 -0.134 1.00 0.00 C ATOM 699 CG TRP A 46 10.458 -4.848 0.118 1.00 0.01 C ATOM 700 CD1 TRP A 46 10.646 -5.865 -0.755 1.00 0.01 C ATOM 701 CD2 TRP A 46 11.239 -5.174 1.302 1.00 0.01 C ATOM 702 NE1 TRP A 46 11.497 -6.793 -0.184 1.00 0.00 N ATOM 703 CE2 TRP A 46 11.889 -6.413 1.086 1.00 0.01 C ATOM 704 CE3 TRP A 46 11.447 -4.523 2.531 1.00 0.01 C ATOM 705 CZ2 TRP A 46 12.716 -6.984 2.054 1.00 0.01 C ATOM 706 CZ3 TRP A 46 12.279 -5.093 3.508 1.00 0.02 C ATOM 707 CH2 TRP A 46 12.911 -6.320 3.270 1.00 0.01 C ATOM 0 H TRP A 46 7.980 -4.639 -2.168 1.00 0.02 H new ATOM 0 HA TRP A 46 7.863 -4.547 0.826 1.00 0.01 H new ATOM 0 HB2 TRP A 46 9.854 -3.207 -1.099 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.795 -2.887 0.623 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.203 -5.939 -1.737 1.00 0.01 H new ATOM 0 HE1 TRP A 46 11.799 -7.652 -0.643 1.00 0.00 H new ATOM 0 HE3 TRP A 46 10.963 -3.577 2.725 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 13.201 -7.930 1.866 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 12.432 -4.583 4.447 1.00 0.02 H new ATOM 0 HH2 TRP A 46 13.549 -6.754 4.026 1.00 0.01 H new ATOM 718 N ALA A 47 7.038 -2.175 0.890 1.00 0.01 N ATOM 719 CA ALA A 47 6.286 -0.889 0.936 1.00 0.01 C ATOM 720 C ALA A 47 7.322 0.170 1.297 1.00 0.01 C ATOM 721 O ALA A 47 8.099 -0.007 2.212 1.00 0.01 O ATOM 722 CB ALA A 47 5.191 -0.954 2.005 1.00 0.24 C ATOM 0 H ALA A 47 7.341 -2.517 1.802 1.00 0.01 H new ATOM 0 HA ALA A 47 5.794 -0.668 -0.011 1.00 0.01 H new ATOM 0 HB1 ALA A 47 4.649 -0.009 2.029 1.00 0.24 H new ATOM 0 HB2 ALA A 47 4.500 -1.763 1.769 1.00 0.24 H new ATOM 0 HB3 ALA A 47 5.644 -1.137 2.979 1.00 0.24 H new ATOM 728 N VAL A 48 7.326 1.281 0.601 1.00 0.01 N ATOM 729 CA VAL A 48 8.303 2.375 0.913 1.00 0.02 C ATOM 730 C VAL A 48 7.540 3.613 1.381 1.00 0.01 C ATOM 731 O VAL A 48 6.482 3.922 0.864 1.00 0.01 O ATOM 732 CB VAL A 48 9.131 2.712 -0.326 1.00 0.09 C ATOM 733 CG1 VAL A 48 9.924 1.478 -0.761 1.00 0.48 C ATOM 734 CG2 VAL A 48 8.199 3.145 -1.461 1.00 0.65 C ATOM 0 H VAL A 48 6.692 1.479 -0.173 1.00 0.01 H new ATOM 0 HA VAL A 48 8.977 2.041 1.702 1.00 0.02 H new ATOM 0 HB VAL A 48 9.820 3.523 -0.092 1.00 0.09 H new ATOM 0 HG11 VAL A 48 10.515 1.718 -1.645 1.00 0.48 H new ATOM 0 HG12 VAL A 48 10.588 1.169 0.046 1.00 0.48 H new ATOM 0 HG13 VAL A 48 9.235 0.666 -0.995 1.00 0.48 H new ATOM 0 HG21 VAL A 48 8.790 3.385 -2.345 1.00 0.65 H new ATOM 0 HG22 VAL A 48 7.509 2.334 -1.695 1.00 0.65 H new ATOM 0 HG23 VAL A 48 7.634 4.024 -1.152 1.00 0.65 H new ATOM 744 N TYR A 49 8.064 4.321 2.355 1.00 0.01 N ATOM 745 CA TYR A 49 7.371 5.545 2.871 1.00 0.01 C ATOM 746 C TYR A 49 8.280 6.759 2.690 1.00 0.01 C ATOM 747 O TYR A 49 9.490 6.685 2.816 1.00 0.02 O ATOM 748 CB TYR A 49 7.045 5.354 4.353 1.00 0.01 C ATOM 749 CG TYR A 49 5.938 4.334 4.495 1.00 0.00 C ATOM 750 CD1 TYR A 49 6.191 2.987 4.213 1.00 0.01 C ATOM 751 CD2 TYR A 49 4.657 4.733 4.906 1.00 0.01 C ATOM 752 CE1 TYR A 49 5.169 2.039 4.341 1.00 0.01 C ATOM 753 CE2 TYR A 49 3.635 3.785 5.034 1.00 0.01 C ATOM 754 CZ TYR A 49 3.891 2.439 4.752 1.00 0.02 C ATOM 755 OH TYR A 49 2.884 1.504 4.878 1.00 0.01 O ATOM 0 H TYR A 49 8.947 4.102 2.817 1.00 0.01 H new ATOM 0 HA TYR A 49 6.446 5.706 2.317 1.00 0.01 H new ATOM 0 HB2 TYR A 49 7.932 5.022 4.892 1.00 0.01 H new ATOM 0 HB3 TYR A 49 6.740 6.302 4.795 1.00 0.01 H new ATOM 0 HD1 TYR A 49 7.176 2.678 3.896 1.00 0.01 H new ATOM 0 HD2 TYR A 49 4.459 5.772 5.124 1.00 0.01 H new ATOM 0 HE1 TYR A 49 5.366 1.000 4.123 1.00 0.01 H new ATOM 0 HE2 TYR A 49 2.649 4.093 5.350 1.00 0.01 H new ATOM 0 HH TYR A 49 2.061 1.947 5.173 1.00 0.01 H new ATOM 765 N GLU A 50 7.679 7.870 2.356 1.00 0.01 N ATOM 766 CA GLU A 50 8.445 9.123 2.096 1.00 0.01 C ATOM 767 C GLU A 50 9.140 9.640 3.358 1.00 0.01 C ATOM 768 O GLU A 50 10.203 10.224 3.273 1.00 0.02 O ATOM 769 CB GLU A 50 7.468 10.186 1.595 1.00 0.02 C ATOM 770 CG GLU A 50 8.249 11.399 1.086 1.00 0.01 C ATOM 771 CD GLU A 50 7.284 12.390 0.430 1.00 0.02 C ATOM 772 OE1 GLU A 50 6.562 11.981 -0.463 1.00 0.02 O ATOM 773 OE2 GLU A 50 7.286 13.540 0.832 1.00 0.01 O ATOM 0 H GLU A 50 6.669 7.963 2.251 1.00 0.01 H new ATOM 0 HA GLU A 50 9.216 8.910 1.356 1.00 0.01 H new ATOM 0 HB2 GLU A 50 6.849 9.778 0.796 1.00 0.02 H new ATOM 0 HB3 GLU A 50 6.795 10.485 2.399 1.00 0.02 H new ATOM 0 HG2 GLU A 50 8.774 11.879 1.912 1.00 0.01 H new ATOM 0 HG3 GLU A 50 9.006 11.082 0.368 1.00 0.01 H new ATOM 780 N ARG A 51 8.556 9.463 4.526 1.00 0.02 N ATOM 781 CA ARG A 51 9.201 9.990 5.778 1.00 0.02 C ATOM 782 C ARG A 51 9.381 8.836 6.786 1.00 0.01 C ATOM 783 O ARG A 51 8.688 7.835 6.711 1.00 0.02 O ATOM 784 CB ARG A 51 8.268 11.071 6.373 1.00 0.02 C ATOM 785 CG ARG A 51 8.671 12.463 5.861 1.00 0.01 C ATOM 786 CD ARG A 51 7.722 13.543 6.429 1.00 0.02 C ATOM 787 NE ARG A 51 7.315 14.492 5.341 1.00 0.02 N ATOM 788 CZ ARG A 51 8.196 15.001 4.517 1.00 0.02 C ATOM 789 NH1 ARG A 51 9.469 14.781 4.693 1.00 0.02 N ATOM 790 NH2 ARG A 51 7.800 15.762 3.537 1.00 0.01 N ATOM 0 H ARG A 51 7.668 8.981 4.665 1.00 0.02 H new ATOM 0 HA ARG A 51 10.179 10.417 5.558 1.00 0.02 H new ATOM 0 HB2 ARG A 51 7.234 10.860 6.099 1.00 0.02 H new ATOM 0 HB3 ARG A 51 8.320 11.047 7.461 1.00 0.02 H new ATOM 0 HG2 ARG A 51 9.698 12.682 6.154 1.00 0.01 H new ATOM 0 HG3 ARG A 51 8.640 12.480 4.772 1.00 0.01 H new ATOM 0 HD2 ARG A 51 6.839 13.072 6.861 1.00 0.02 H new ATOM 0 HD3 ARG A 51 8.218 14.088 7.232 1.00 0.02 H new ATOM 0 HE ARG A 51 6.332 14.746 5.241 1.00 0.02 H new ATOM 0 HH11 ARG A 51 9.784 14.209 5.477 1.00 0.02 H new ATOM 0 HH12 ARG A 51 10.150 15.181 4.047 1.00 0.02 H new ATOM 0 HH21 ARG A 51 6.807 15.959 3.414 1.00 0.01 H new ATOM 0 HH22 ARG A 51 8.483 16.161 2.893 1.00 0.01 H new ATOM 804 N PRO A 52 10.307 8.978 7.726 1.00 0.02 N ATOM 805 CA PRO A 52 10.562 7.915 8.741 1.00 0.02 C ATOM 806 C PRO A 52 9.290 7.482 9.477 1.00 0.01 C ATOM 807 O PRO A 52 8.269 8.140 9.448 1.00 0.02 O ATOM 808 CB PRO A 52 11.572 8.589 9.698 1.00 0.02 C ATOM 809 CG PRO A 52 11.801 10.038 9.226 1.00 0.01 C ATOM 810 CD PRO A 52 11.168 10.196 7.838 1.00 0.01 C ATOM 0 HA PRO A 52 10.933 6.992 8.295 1.00 0.02 H new ATOM 0 HB2 PRO A 52 11.191 8.579 10.719 1.00 0.02 H new ATOM 0 HB3 PRO A 52 12.513 8.039 9.704 1.00 0.02 H new ATOM 0 HG2 PRO A 52 11.355 10.742 9.929 1.00 0.01 H new ATOM 0 HG3 PRO A 52 12.867 10.260 9.185 1.00 0.01 H new ATOM 0 HD2 PRO A 52 10.584 11.113 7.762 1.00 0.01 H new ATOM 0 HD3 PRO A 52 11.922 10.232 7.051 1.00 0.01 H new ATOM 818 N ASN A 53 9.390 6.376 10.163 1.00 0.02 N ATOM 819 CA ASN A 53 8.247 5.854 10.960 1.00 0.02 C ATOM 820 C ASN A 53 7.068 5.488 10.058 1.00 0.01 C ATOM 821 O ASN A 53 5.916 5.656 10.413 1.00 0.01 O ATOM 822 CB ASN A 53 7.820 6.917 11.976 1.00 0.01 C ATOM 823 CG ASN A 53 9.060 7.597 12.557 1.00 0.02 C ATOM 824 OD1 ASN A 53 9.086 8.802 12.718 1.00 0.02 O ATOM 825 ND2 ASN A 53 10.098 6.875 12.882 1.00 0.01 N ATOM 0 H ASN A 53 10.233 5.803 10.204 1.00 0.02 H new ATOM 0 HA ASN A 53 8.564 4.949 11.479 1.00 0.02 H new ATOM 0 HB2 ASN A 53 7.178 7.656 11.496 1.00 0.01 H new ATOM 0 HB3 ASN A 53 7.236 6.458 12.774 1.00 0.01 H new ATOM 0 HD21 ASN A 53 10.929 7.322 13.270 1.00 0.01 H new ATOM 0 HD22 ASN A 53 10.078 5.864 12.748 1.00 0.01 H new ATOM 832 N PHE A 54 7.358 4.964 8.897 1.00 0.02 N ATOM 833 CA PHE A 54 6.281 4.548 7.956 1.00 0.01 C ATOM 834 C PHE A 54 5.197 5.624 7.863 1.00 0.01 C ATOM 835 O PHE A 54 4.021 5.358 8.010 1.00 0.02 O ATOM 836 CB PHE A 54 5.675 3.227 8.445 1.00 1.78 C ATOM 837 CG PHE A 54 6.764 2.366 9.046 1.00 2.32 C ATOM 838 CD1 PHE A 54 7.811 1.905 8.239 1.00 2.53 C ATOM 839 CD2 PHE A 54 6.731 2.031 10.407 1.00 2.77 C ATOM 840 CE1 PHE A 54 8.822 1.109 8.790 1.00 3.03 C ATOM 841 CE2 PHE A 54 7.744 1.236 10.956 1.00 3.32 C ATOM 842 CZ PHE A 54 8.788 0.775 10.149 1.00 3.39 C ATOM 0 H PHE A 54 8.307 4.805 8.558 1.00 0.02 H new ATOM 0 HA PHE A 54 6.706 4.413 6.962 1.00 0.01 H new ATOM 0 HB2 PHE A 54 4.900 3.422 9.186 1.00 1.78 H new ATOM 0 HB3 PHE A 54 5.199 2.704 7.616 1.00 1.78 H new ATOM 0 HD1 PHE A 54 7.839 2.164 7.191 1.00 2.53 H new ATOM 0 HD2 PHE A 54 5.925 2.386 11.031 1.00 2.77 H new ATOM 0 HE1 PHE A 54 9.629 0.752 8.166 1.00 3.03 H new ATOM 0 HE2 PHE A 54 7.719 0.978 12.005 1.00 3.32 H new ATOM 0 HZ PHE A 54 9.568 0.161 10.574 1.00 3.39 H new ATOM 852 N SER A 55 5.609 6.844 7.614 1.00 0.02 N ATOM 853 CA SER A 55 4.635 7.981 7.500 1.00 0.02 C ATOM 854 C SER A 55 4.831 8.701 6.163 1.00 0.01 C ATOM 855 O SER A 55 5.835 8.536 5.499 1.00 0.01 O ATOM 856 CB SER A 55 4.880 8.966 8.645 1.00 1.90 C ATOM 857 OG SER A 55 6.170 9.546 8.501 1.00 2.33 O ATOM 0 H SER A 55 6.586 7.105 7.483 1.00 0.02 H new ATOM 0 HA SER A 55 3.618 7.594 7.553 1.00 0.02 H new ATOM 0 HB2 SER A 55 4.117 9.744 8.640 1.00 1.90 H new ATOM 0 HB3 SER A 55 4.805 8.452 9.604 1.00 1.90 H new ATOM 0 HG SER A 55 6.829 9.000 8.979 1.00 2.33 H new ATOM 863 N GLY A 56 3.868 9.490 5.754 1.00 0.02 N ATOM 864 CA GLY A 56 3.981 10.213 4.452 1.00 0.02 C ATOM 865 C GLY A 56 3.430 9.334 3.321 1.00 0.02 C ATOM 866 O GLY A 56 2.680 8.408 3.557 1.00 0.00 O ATOM 0 H GLY A 56 3.005 9.664 6.269 1.00 0.02 H new ATOM 0 HA2 GLY A 56 3.429 11.152 4.498 1.00 0.02 H new ATOM 0 HA3 GLY A 56 5.023 10.465 4.255 1.00 0.02 H new ATOM 870 N HIS A 57 3.773 9.626 2.096 1.00 0.02 N ATOM 871 CA HIS A 57 3.242 8.818 0.959 1.00 0.02 C ATOM 872 C HIS A 57 3.753 7.378 1.048 1.00 0.01 C ATOM 873 O HIS A 57 4.907 7.146 1.345 1.00 0.01 O ATOM 874 CB HIS A 57 3.702 9.439 -0.361 1.00 0.00 C ATOM 875 CG HIS A 57 3.486 10.927 -0.314 1.00 0.01 C ATOM 876 ND1 HIS A 57 4.218 11.806 -1.093 1.00 0.01 N ATOM 877 CD2 HIS A 57 2.620 11.704 0.417 1.00 0.01 C ATOM 878 CE1 HIS A 57 3.785 13.051 -0.816 1.00 0.02 C ATOM 879 NE2 HIS A 57 2.811 13.045 0.098 1.00 0.01 N ATOM 0 H HIS A 57 4.397 10.388 1.832 1.00 0.02 H new ATOM 0 HA HIS A 57 2.153 8.811 1.006 1.00 0.02 H new ATOM 0 HB2 HIS A 57 4.756 9.218 -0.532 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.147 9.006 -1.193 1.00 0.00 H new ATOM 0 HD1 HIS A 57 4.952 11.556 -1.756 1.00 0.01 H new ATOM 0 HD2 HIS A 57 1.900 11.331 1.131 1.00 0.01 H new ATOM 0 HE1 HIS A 57 4.178 13.945 -1.277 1.00 0.02 H new ATOM 887 N MET A 58 2.897 6.414 0.778 1.00 0.02 N ATOM 888 CA MET A 58 3.312 4.972 0.828 1.00 0.02 C ATOM 889 C MET A 58 3.125 4.337 -0.556 1.00 0.01 C ATOM 890 O MET A 58 2.139 4.567 -1.228 1.00 0.01 O ATOM 891 CB MET A 58 2.441 4.232 1.850 1.00 2.61 C ATOM 892 CG MET A 58 0.960 4.316 1.445 1.00 3.46 C ATOM 893 SD MET A 58 0.574 2.980 0.286 1.00 4.50 S ATOM 894 CE MET A 58 0.068 1.748 1.510 1.00 5.01 C ATOM 0 H MET A 58 1.921 6.568 0.523 1.00 0.02 H new ATOM 0 HA MET A 58 4.360 4.903 1.120 1.00 0.02 H new ATOM 0 HB2 MET A 58 2.749 3.189 1.914 1.00 2.61 H new ATOM 0 HB3 MET A 58 2.580 4.667 2.840 1.00 2.61 H new ATOM 0 HG2 MET A 58 0.326 4.240 2.328 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.752 5.282 0.985 1.00 3.46 H new ATOM 0 HE1 MET A 58 -0.217 0.827 1.002 1.00 5.01 H new ATOM 0 HE2 MET A 58 0.897 1.547 2.188 1.00 5.01 H new ATOM 0 HE3 MET A 58 -0.781 2.127 2.078 1.00 5.01 H new ATOM 904 N TYR A 59 4.076 3.545 -0.987 1.00 0.02 N ATOM 905 CA TYR A 59 3.987 2.884 -2.333 1.00 0.01 C ATOM 906 C TYR A 59 4.393 1.408 -2.216 1.00 0.01 C ATOM 907 O TYR A 59 5.331 1.059 -1.529 1.00 0.02 O ATOM 908 CB TYR A 59 4.945 3.578 -3.300 1.00 0.01 C ATOM 909 CG TYR A 59 4.432 4.965 -3.609 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.484 5.148 -4.622 1.00 0.01 C ATOM 911 CD2 TYR A 59 4.905 6.066 -2.883 1.00 0.01 C ATOM 912 CE1 TYR A 59 3.007 6.433 -4.911 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.429 7.349 -3.172 1.00 0.01 C ATOM 914 CZ TYR A 59 3.481 7.533 -4.186 1.00 0.01 C ATOM 915 OH TYR A 59 3.011 8.799 -4.471 1.00 0.01 O ATOM 0 H TYR A 59 4.921 3.324 -0.460 1.00 0.02 H new ATOM 0 HA TYR A 59 2.963 2.956 -2.699 1.00 0.01 H new ATOM 0 HB2 TYR A 59 5.941 3.636 -2.862 1.00 0.01 H new ATOM 0 HB3 TYR A 59 5.034 2.999 -4.219 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.120 4.299 -5.181 1.00 0.01 H new ATOM 0 HD2 TYR A 59 5.636 5.924 -2.101 1.00 0.01 H new ATOM 0 HE1 TYR A 59 2.275 6.575 -5.692 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.793 8.198 -2.613 1.00 0.01 H new ATOM 0 HH TYR A 59 3.440 9.449 -3.876 1.00 0.01 H new ATOM 925 N ILE A 60 3.688 0.542 -2.906 1.00 0.02 N ATOM 926 CA ILE A 60 4.008 -0.920 -2.879 1.00 0.01 C ATOM 927 C ILE A 60 4.923 -1.249 -4.067 1.00 0.01 C ATOM 928 O ILE A 60 4.653 -0.856 -5.187 1.00 0.01 O ATOM 929 CB ILE A 60 2.711 -1.726 -3.017 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.647 -1.195 -2.040 1.00 1.35 C ATOM 931 CG2 ILE A 60 2.988 -3.203 -2.732 1.00 1.21 C ATOM 932 CD1 ILE A 60 2.160 -1.249 -0.595 1.00 1.72 C ATOM 0 H ILE A 60 2.893 0.791 -3.495 1.00 0.02 H new ATOM 0 HA ILE A 60 4.502 -1.172 -1.940 1.00 0.01 H new ATOM 0 HB ILE A 60 2.336 -1.620 -4.035 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.387 -0.169 -2.300 1.00 1.35 H new ATOM 0 HG13 ILE A 60 0.736 -1.787 -2.130 1.00 1.35 H new ATOM 0 HG21 ILE A 60 2.064 -3.772 -2.831 1.00 1.21 H new ATOM 0 HG22 ILE A 60 3.724 -3.579 -3.443 1.00 1.21 H new ATOM 0 HG23 ILE A 60 3.374 -3.312 -1.719 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.392 -0.869 0.078 1.00 1.72 H new ATOM 0 HD12 ILE A 60 2.396 -2.280 -0.331 1.00 1.72 H new ATOM 0 HD13 ILE A 60 3.057 -0.637 -0.504 1.00 1.72 H new ATOM 944 N LEU A 61 6.018 -1.939 -3.829 1.00 0.01 N ATOM 945 CA LEU A 61 6.977 -2.265 -4.943 1.00 0.01 C ATOM 946 C LEU A 61 7.142 -3.806 -5.093 1.00 0.01 C ATOM 947 O LEU A 61 7.747 -4.436 -4.242 1.00 0.00 O ATOM 948 CB LEU A 61 8.353 -1.629 -4.592 1.00 0.01 C ATOM 949 CG LEU A 61 8.739 -0.544 -5.613 1.00 0.02 C ATOM 950 CD1 LEU A 61 9.891 0.291 -5.057 1.00 0.01 C ATOM 951 CD2 LEU A 61 9.189 -1.202 -6.922 1.00 0.01 C ATOM 0 H LEU A 61 6.290 -2.291 -2.911 1.00 0.01 H new ATOM 0 HA LEU A 61 6.594 -1.870 -5.884 1.00 0.01 H new ATOM 0 HB2 LEU A 61 8.312 -1.195 -3.593 1.00 0.01 H new ATOM 0 HB3 LEU A 61 9.120 -2.403 -4.572 1.00 0.01 H new ATOM 0 HG LEU A 61 7.875 0.093 -5.801 1.00 0.02 H new ATOM 0 HD11 LEU A 61 10.165 1.060 -5.780 1.00 0.01 H new ATOM 0 HD12 LEU A 61 9.581 0.763 -4.125 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.750 -0.353 -4.869 1.00 0.01 H new ATOM 0 HD21 LEU A 61 9.461 -0.430 -7.642 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.051 -1.840 -6.731 1.00 0.01 H new ATOM 0 HD23 LEU A 61 8.375 -1.804 -7.326 1.00 0.01 H new ATOM 963 N PRO A 62 6.654 -4.423 -6.165 1.00 0.02 N ATOM 964 CA PRO A 62 6.852 -5.891 -6.350 1.00 0.01 C ATOM 965 C PRO A 62 8.277 -6.182 -6.852 1.00 0.00 C ATOM 966 O PRO A 62 9.006 -5.283 -7.217 1.00 0.02 O ATOM 967 CB PRO A 62 5.798 -6.233 -7.414 1.00 1.47 C ATOM 968 CG PRO A 62 5.403 -4.921 -8.119 1.00 1.29 C ATOM 969 CD PRO A 62 5.873 -3.742 -7.244 1.00 0.82 C ATOM 0 HA PRO A 62 6.742 -6.475 -5.436 1.00 0.01 H new ATOM 0 HB2 PRO A 62 6.198 -6.948 -8.133 1.00 1.47 H new ATOM 0 HB3 PRO A 62 4.926 -6.698 -6.953 1.00 1.47 H new ATOM 0 HG2 PRO A 62 5.861 -4.868 -9.107 1.00 1.29 H new ATOM 0 HG3 PRO A 62 4.324 -4.879 -8.266 1.00 1.29 H new ATOM 0 HD2 PRO A 62 6.488 -3.040 -7.807 1.00 0.82 H new ATOM 0 HD3 PRO A 62 5.033 -3.177 -6.840 1.00 0.82 H new ATOM 977 N GLN A 63 8.684 -7.425 -6.865 1.00 0.02 N ATOM 978 CA GLN A 63 10.061 -7.759 -7.334 1.00 0.00 C ATOM 979 C GLN A 63 10.314 -7.171 -8.728 1.00 0.00 C ATOM 980 O GLN A 63 9.441 -7.167 -9.573 1.00 0.02 O ATOM 981 CB GLN A 63 10.220 -9.282 -7.387 1.00 1.27 C ATOM 982 CG GLN A 63 9.167 -9.890 -8.327 1.00 1.67 C ATOM 983 CD GLN A 63 9.634 -9.764 -9.780 1.00 2.43 C ATOM 984 OE1 GLN A 63 8.909 -9.268 -10.621 1.00 4.25 O ATOM 985 NE2 GLN A 63 10.818 -10.195 -10.114 1.00 3.04 N ATOM 0 H GLN A 63 8.121 -8.223 -6.571 1.00 0.02 H new ATOM 0 HA GLN A 63 10.784 -7.331 -6.639 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.221 -9.539 -7.734 1.00 1.27 H new ATOM 0 HB3 GLN A 63 10.112 -9.702 -6.387 1.00 1.27 H new ATOM 0 HG2 GLN A 63 9.005 -10.939 -8.077 1.00 1.67 H new ATOM 0 HG3 GLN A 63 8.212 -9.380 -8.197 1.00 1.67 H new ATOM 0 HE21 GLN A 63 11.427 -10.611 -9.409 1.00 3.04 H new ATOM 0 HE22 GLN A 63 11.136 -10.116 -11.080 1.00 3.04 H new ATOM 994 N GLY A 64 11.503 -6.677 -8.985 1.00 0.02 N ATOM 995 CA GLY A 64 11.789 -6.102 -10.339 1.00 0.01 C ATOM 996 C GLY A 64 12.904 -5.053 -10.265 1.00 0.02 C ATOM 997 O GLY A 64 13.475 -4.798 -9.223 1.00 0.02 O ATOM 0 H GLY A 64 12.279 -6.647 -8.324 1.00 0.02 H new ATOM 0 HA2 GLY A 64 12.080 -6.899 -11.023 1.00 0.01 H new ATOM 0 HA3 GLY A 64 10.884 -5.649 -10.744 1.00 0.01 H new ATOM 1001 N GLU A 65 13.216 -4.448 -11.385 1.00 0.02 N ATOM 1002 CA GLU A 65 14.296 -3.408 -11.430 1.00 0.02 C ATOM 1003 C GLU A 65 13.710 -2.075 -11.904 1.00 0.02 C ATOM 1004 O GLU A 65 13.015 -2.004 -12.900 1.00 0.02 O ATOM 1005 CB GLU A 65 15.375 -3.856 -12.419 1.00 0.77 C ATOM 1006 CG GLU A 65 16.533 -2.857 -12.399 1.00 0.49 C ATOM 1007 CD GLU A 65 17.703 -3.419 -13.205 1.00 0.67 C ATOM 1008 OE1 GLU A 65 17.492 -4.372 -13.935 1.00 0.71 O ATOM 1009 OE2 GLU A 65 18.792 -2.884 -13.081 1.00 0.96 O ATOM 0 H GLU A 65 12.764 -4.631 -12.281 1.00 0.02 H new ATOM 0 HA GLU A 65 14.724 -3.284 -10.435 1.00 0.02 H new ATOM 0 HB2 GLU A 65 15.734 -4.851 -12.155 1.00 0.77 H new ATOM 0 HB3 GLU A 65 14.957 -3.924 -13.423 1.00 0.77 H new ATOM 0 HG2 GLU A 65 16.212 -1.904 -12.819 1.00 0.49 H new ATOM 0 HG3 GLU A 65 16.844 -2.664 -11.372 1.00 0.49 H new ATOM 1016 N TYR A 66 14.008 -1.017 -11.192 1.00 0.02 N ATOM 1017 CA TYR A 66 13.510 0.340 -11.566 1.00 0.02 C ATOM 1018 C TYR A 66 14.733 1.256 -11.770 1.00 0.02 C ATOM 1019 O TYR A 66 15.248 1.803 -10.814 1.00 0.02 O ATOM 1020 CB TYR A 66 12.662 0.869 -10.408 1.00 0.01 C ATOM 1021 CG TYR A 66 11.506 -0.077 -10.179 1.00 0.02 C ATOM 1022 CD1 TYR A 66 11.719 -1.288 -9.511 1.00 0.02 C ATOM 1023 CD2 TYR A 66 10.228 0.248 -10.647 1.00 0.01 C ATOM 1024 CE1 TYR A 66 10.653 -2.173 -9.309 1.00 0.02 C ATOM 1025 CE2 TYR A 66 9.161 -0.638 -10.447 1.00 0.02 C ATOM 1026 CZ TYR A 66 9.375 -1.848 -9.779 1.00 0.02 C ATOM 1027 OH TYR A 66 8.324 -2.721 -9.580 1.00 0.01 O ATOM 0 H TYR A 66 14.586 -1.039 -10.352 1.00 0.02 H new ATOM 0 HA TYR A 66 12.914 0.308 -12.478 1.00 0.02 H new ATOM 0 HB2 TYR A 66 13.266 0.952 -9.505 1.00 0.01 H new ATOM 0 HB3 TYR A 66 12.292 1.868 -10.637 1.00 0.01 H new ATOM 0 HD1 TYR A 66 12.706 -1.540 -9.151 1.00 0.02 H new ATOM 0 HD2 TYR A 66 10.064 1.183 -11.163 1.00 0.01 H new ATOM 0 HE1 TYR A 66 10.817 -3.106 -8.791 1.00 0.02 H new ATOM 0 HE2 TYR A 66 8.175 -0.387 -10.808 1.00 0.02 H new ATOM 0 HH TYR A 66 7.507 -2.343 -9.967 1.00 0.01 H new ATOM 1037 N PRO A 67 15.216 1.416 -12.992 1.00 0.01 N ATOM 1038 CA PRO A 67 16.412 2.273 -13.237 1.00 0.02 C ATOM 1039 C PRO A 67 16.167 3.767 -12.967 1.00 0.02 C ATOM 1040 O PRO A 67 17.083 4.561 -13.032 1.00 0.02 O ATOM 1041 CB PRO A 67 16.724 2.016 -14.731 1.00 0.02 C ATOM 1042 CG PRO A 67 15.680 1.023 -15.286 1.00 0.02 C ATOM 1043 CD PRO A 67 14.628 0.758 -14.194 1.00 0.01 C ATOM 0 HA PRO A 67 17.231 2.024 -12.562 1.00 0.02 H new ATOM 0 HB2 PRO A 67 16.693 2.951 -15.291 1.00 0.02 H new ATOM 0 HB3 PRO A 67 17.730 1.611 -14.844 1.00 0.02 H new ATOM 0 HG2 PRO A 67 15.205 1.432 -16.178 1.00 0.02 H new ATOM 0 HG3 PRO A 67 16.163 0.091 -15.581 1.00 0.02 H new ATOM 0 HD2 PRO A 67 13.660 1.186 -14.455 1.00 0.01 H new ATOM 0 HD3 PRO A 67 14.473 -0.309 -14.034 1.00 0.01 H new ATOM 1051 N GLU A 68 14.963 4.164 -12.645 1.00 0.01 N ATOM 1052 CA GLU A 68 14.718 5.609 -12.362 1.00 0.01 C ATOM 1053 C GLU A 68 13.466 5.718 -11.492 1.00 0.03 C ATOM 1054 O GLU A 68 12.616 4.850 -11.483 1.00 0.02 O ATOM 1055 CB GLU A 68 14.485 6.376 -13.668 1.00 0.69 C ATOM 1056 CG GLU A 68 15.786 6.446 -14.472 1.00 1.09 C ATOM 1057 CD GLU A 68 15.645 7.492 -15.580 1.00 1.35 C ATOM 1058 OE1 GLU A 68 15.140 8.566 -15.292 1.00 1.55 O ATOM 1059 OE2 GLU A 68 16.043 7.202 -16.697 1.00 2.02 O ATOM 0 H GLU A 68 14.147 3.557 -12.566 1.00 0.01 H new ATOM 0 HA GLU A 68 15.584 6.034 -11.855 1.00 0.01 H new ATOM 0 HB2 GLU A 68 13.710 5.883 -14.256 1.00 0.69 H new ATOM 0 HB3 GLU A 68 14.128 7.382 -13.450 1.00 0.69 H new ATOM 0 HG2 GLU A 68 16.618 6.705 -13.817 1.00 1.09 H new ATOM 0 HG3 GLU A 68 16.012 5.471 -14.904 1.00 1.09 H new ATOM 1066 N TYR A 69 13.376 6.768 -10.725 1.00 0.02 N ATOM 1067 CA TYR A 69 12.219 6.922 -9.800 1.00 0.02 C ATOM 1068 C TYR A 69 10.884 6.940 -10.550 1.00 0.01 C ATOM 1069 O TYR A 69 9.900 6.388 -10.097 1.00 0.01 O ATOM 1070 CB TYR A 69 12.394 8.198 -8.972 1.00 0.02 C ATOM 1071 CG TYR A 69 12.476 9.397 -9.888 1.00 0.02 C ATOM 1072 CD1 TYR A 69 13.691 9.728 -10.501 1.00 0.02 C ATOM 1073 CD2 TYR A 69 11.340 10.179 -10.121 1.00 0.02 C ATOM 1074 CE1 TYR A 69 13.768 10.842 -11.346 1.00 0.02 C ATOM 1075 CE2 TYR A 69 11.415 11.291 -10.966 1.00 0.02 C ATOM 1076 CZ TYR A 69 12.630 11.625 -11.578 1.00 0.02 C ATOM 1077 OH TYR A 69 12.705 12.724 -12.410 1.00 0.01 O ATOM 0 H TYR A 69 14.056 7.528 -10.699 1.00 0.02 H new ATOM 0 HA TYR A 69 12.196 6.058 -9.136 1.00 0.02 H new ATOM 0 HB2 TYR A 69 11.557 8.312 -8.283 1.00 0.02 H new ATOM 0 HB3 TYR A 69 13.298 8.129 -8.367 1.00 0.02 H new ATOM 0 HD1 TYR A 69 14.568 9.124 -10.322 1.00 0.02 H new ATOM 0 HD2 TYR A 69 10.403 9.924 -9.648 1.00 0.02 H new ATOM 0 HE1 TYR A 69 14.705 11.097 -11.819 1.00 0.02 H new ATOM 0 HE2 TYR A 69 10.536 11.892 -11.147 1.00 0.02 H new ATOM 0 HH TYR A 69 11.826 13.155 -12.463 1.00 0.01 H new ATOM 1087 N GLN A 70 10.837 7.573 -11.690 1.00 0.01 N ATOM 1088 CA GLN A 70 9.568 7.627 -12.471 1.00 0.02 C ATOM 1089 C GLN A 70 9.102 6.212 -12.836 1.00 0.01 C ATOM 1090 O GLN A 70 7.935 5.972 -13.072 1.00 0.02 O ATOM 1091 CB GLN A 70 9.806 8.421 -13.757 1.00 0.01 C ATOM 1092 CG GLN A 70 10.305 9.823 -13.408 1.00 0.01 C ATOM 1093 CD GLN A 70 10.213 10.721 -14.641 1.00 0.02 C ATOM 1094 OE1 GLN A 70 9.217 10.717 -15.337 1.00 0.01 O ATOM 1095 NE2 GLN A 70 11.218 11.496 -14.944 1.00 0.02 N ATOM 0 H GLN A 70 11.627 8.058 -12.116 1.00 0.01 H new ATOM 0 HA GLN A 70 8.800 8.108 -11.865 1.00 0.02 H new ATOM 0 HB2 GLN A 70 10.537 7.909 -14.383 1.00 0.01 H new ATOM 0 HB3 GLN A 70 8.883 8.485 -14.333 1.00 0.01 H new ATOM 0 HG2 GLN A 70 9.709 10.240 -12.596 1.00 0.01 H new ATOM 0 HG3 GLN A 70 11.335 9.776 -13.056 1.00 0.01 H new ATOM 0 HE21 GLN A 70 12.054 11.499 -14.360 1.00 0.02 H new ATOM 0 HE22 GLN A 70 11.168 12.099 -15.765 1.00 0.02 H new ATOM 1104 N ARG A 71 10.015 5.277 -12.879 1.00 0.01 N ATOM 1105 CA ARG A 71 9.627 3.877 -13.224 1.00 0.02 C ATOM 1106 C ARG A 71 8.830 3.285 -12.064 1.00 0.01 C ATOM 1107 O ARG A 71 8.120 2.308 -12.209 1.00 0.02 O ATOM 1108 CB ARG A 71 10.882 3.036 -13.478 1.00 0.34 C ATOM 1109 CG ARG A 71 10.490 1.685 -14.103 1.00 0.72 C ATOM 1110 CD ARG A 71 9.912 1.885 -15.518 1.00 1.04 C ATOM 1111 NE ARG A 71 8.427 1.985 -15.436 1.00 1.67 N ATOM 1112 CZ ARG A 71 7.747 2.450 -16.448 1.00 2.47 C ATOM 1113 NH1 ARG A 71 8.366 2.824 -17.534 1.00 2.54 N ATOM 1114 NH2 ARG A 71 6.447 2.543 -16.374 1.00 3.42 N ATOM 0 H ARG A 71 11.007 5.421 -12.691 1.00 0.01 H new ATOM 0 HA ARG A 71 9.017 3.876 -14.127 1.00 0.02 H new ATOM 0 HB2 ARG A 71 11.560 3.571 -14.143 1.00 0.34 H new ATOM 0 HB3 ARG A 71 11.416 2.872 -12.542 1.00 0.34 H new ATOM 0 HG2 ARG A 71 11.363 1.034 -14.150 1.00 0.72 H new ATOM 0 HG3 ARG A 71 9.754 1.187 -13.472 1.00 0.72 H new ATOM 0 HD2 ARG A 71 10.324 2.789 -15.967 1.00 1.04 H new ATOM 0 HD3 ARG A 71 10.197 1.052 -16.160 1.00 1.04 H new ATOM 0 HE ARG A 71 7.942 1.690 -14.589 1.00 1.67 H new ATOM 0 HH11 ARG A 71 9.382 2.753 -17.592 1.00 2.54 H new ATOM 0 HH12 ARG A 71 7.834 3.187 -18.325 1.00 2.54 H new ATOM 0 HH21 ARG A 71 5.962 2.252 -15.525 1.00 3.42 H new ATOM 0 HH22 ARG A 71 5.916 2.907 -17.165 1.00 3.42 H new ATOM 1128 N TRP A 72 8.952 3.886 -10.911 1.00 0.02 N ATOM 1129 CA TRP A 72 8.224 3.404 -9.697 1.00 0.01 C ATOM 1130 C TRP A 72 7.111 4.415 -9.394 1.00 0.01 C ATOM 1131 O TRP A 72 6.482 4.386 -8.356 1.00 0.02 O ATOM 1132 CB TRP A 72 9.257 3.302 -8.550 1.00 0.02 C ATOM 1133 CG TRP A 72 8.645 3.569 -7.209 1.00 0.01 C ATOM 1134 CD1 TRP A 72 7.672 2.831 -6.630 1.00 0.01 C ATOM 1135 CD2 TRP A 72 8.967 4.634 -6.269 1.00 0.02 C ATOM 1136 NE1 TRP A 72 7.371 3.379 -5.394 1.00 0.02 N ATOM 1137 CE2 TRP A 72 8.144 4.494 -5.128 1.00 0.02 C ATOM 1138 CE3 TRP A 72 9.884 5.700 -6.298 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 8.228 5.382 -4.052 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 9.972 6.595 -5.217 1.00 0.02 C ATOM 1141 CH2 TRP A 72 9.146 6.435 -4.097 1.00 0.02 C ATOM 0 H TRP A 72 9.537 4.707 -10.755 1.00 0.02 H new ATOM 0 HA TRP A 72 7.765 2.425 -9.833 1.00 0.01 H new ATOM 0 HB2 TRP A 72 9.702 2.307 -8.552 1.00 0.02 H new ATOM 0 HB3 TRP A 72 10.064 4.013 -8.727 1.00 0.02 H new ATOM 0 HD1 TRP A 72 7.206 1.957 -7.060 1.00 0.01 H new ATOM 0 HE1 TRP A 72 6.666 3.006 -4.758 1.00 0.02 H new ATOM 0 HE3 TRP A 72 10.525 5.832 -7.157 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 7.588 5.255 -3.191 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 10.680 7.410 -5.250 1.00 0.02 H new ATOM 0 HH2 TRP A 72 9.218 7.125 -3.269 1.00 0.02 H new ATOM 1152 N MET A 73 6.881 5.314 -10.315 1.00 0.02 N ATOM 1153 CA MET A 73 5.826 6.355 -10.133 1.00 0.02 C ATOM 1154 C MET A 73 6.115 7.198 -8.887 1.00 0.01 C ATOM 1155 O MET A 73 5.232 7.804 -8.311 1.00 0.02 O ATOM 1156 CB MET A 73 4.445 5.693 -10.012 1.00 0.02 C ATOM 1157 CG MET A 73 4.162 4.850 -11.259 1.00 0.01 C ATOM 1158 SD MET A 73 5.013 3.258 -11.124 1.00 0.01 S ATOM 1159 CE MET A 73 4.867 2.776 -12.860 1.00 0.01 C ATOM 0 H MET A 73 7.387 5.372 -11.199 1.00 0.02 H new ATOM 0 HA MET A 73 5.830 7.009 -11.005 1.00 0.02 H new ATOM 0 HB2 MET A 73 4.409 5.065 -9.122 1.00 0.02 H new ATOM 0 HB3 MET A 73 3.675 6.456 -9.895 1.00 0.02 H new ATOM 0 HG2 MET A 73 3.089 4.692 -11.367 1.00 0.01 H new ATOM 0 HG3 MET A 73 4.498 5.379 -12.151 1.00 0.01 H new ATOM 0 HE1 MET A 73 5.335 1.803 -13.008 1.00 0.01 H new ATOM 0 HE2 MET A 73 3.814 2.718 -13.134 1.00 0.01 H new ATOM 0 HE3 MET A 73 5.364 3.517 -13.486 1.00 0.01 H new ATOM 1169 N GLY A 74 7.352 7.236 -8.468 1.00 0.02 N ATOM 1170 CA GLY A 74 7.711 8.034 -7.262 1.00 0.02 C ATOM 1171 C GLY A 74 7.344 9.496 -7.496 1.00 0.01 C ATOM 1172 O GLY A 74 7.486 10.012 -8.586 1.00 0.01 O ATOM 0 H GLY A 74 8.130 6.747 -8.911 1.00 0.02 H new ATOM 0 HA2 GLY A 74 7.184 7.650 -6.388 1.00 0.02 H new ATOM 0 HA3 GLY A 74 8.778 7.943 -7.056 1.00 0.02 H new ATOM 1176 N LEU A 75 6.911 10.187 -6.475 1.00 0.02 N ATOM 1177 CA LEU A 75 6.587 11.632 -6.650 1.00 0.02 C ATOM 1178 C LEU A 75 7.908 12.414 -6.626 1.00 0.01 C ATOM 1179 O LEU A 75 8.056 13.431 -7.277 1.00 0.02 O ATOM 1180 CB LEU A 75 5.670 12.098 -5.512 1.00 0.55 C ATOM 1181 CG LEU A 75 5.173 13.533 -5.781 1.00 0.58 C ATOM 1182 CD1 LEU A 75 3.967 13.513 -6.733 1.00 0.98 C ATOM 1183 CD2 LEU A 75 4.752 14.186 -4.461 1.00 0.42 C ATOM 0 H LEU A 75 6.769 9.817 -5.535 1.00 0.02 H new ATOM 0 HA LEU A 75 6.069 11.800 -7.594 1.00 0.02 H new ATOM 0 HB2 LEU A 75 4.820 11.422 -5.421 1.00 0.55 H new ATOM 0 HB3 LEU A 75 6.208 12.063 -4.565 1.00 0.55 H new ATOM 0 HG LEU A 75 5.983 14.101 -6.239 1.00 0.58 H new ATOM 0 HD11 LEU A 75 3.628 14.533 -6.913 1.00 0.98 H new ATOM 0 HD12 LEU A 75 4.257 13.055 -7.679 1.00 0.98 H new ATOM 0 HD13 LEU A 75 3.158 12.936 -6.284 1.00 0.98 H new ATOM 0 HD21 LEU A 75 4.401 15.200 -4.652 1.00 0.42 H new ATOM 0 HD22 LEU A 75 3.950 13.604 -4.007 1.00 0.42 H new ATOM 0 HD23 LEU A 75 5.605 14.219 -3.783 1.00 0.42 H new ATOM 1195 N ASN A 76 8.879 11.920 -5.901 1.00 0.01 N ATOM 1196 CA ASN A 76 10.215 12.569 -5.828 1.00 0.02 C ATOM 1197 C ASN A 76 11.205 11.479 -5.405 1.00 0.02 C ATOM 1198 O ASN A 76 10.858 10.315 -5.368 1.00 0.02 O ATOM 1199 CB ASN A 76 10.193 13.700 -4.799 1.00 0.02 C ATOM 1200 CG ASN A 76 9.480 14.918 -5.389 1.00 0.02 C ATOM 1201 OD1 ASN A 76 8.267 14.994 -5.367 1.00 0.01 O ATOM 1202 ND2 ASN A 76 10.185 15.879 -5.921 1.00 0.02 N ATOM 0 H ASN A 76 8.795 11.070 -5.343 1.00 0.01 H new ATOM 0 HA ASN A 76 10.499 13.004 -6.786 1.00 0.02 H new ATOM 0 HB2 ASN A 76 9.683 13.371 -3.893 1.00 0.02 H new ATOM 0 HB3 ASN A 76 11.211 13.965 -4.513 1.00 0.02 H new ATOM 0 HD21 ASN A 76 9.718 16.694 -6.318 1.00 0.02 H new ATOM 0 HD22 ASN A 76 11.203 15.815 -5.939 1.00 0.02 H new ATOM 1209 N ASP A 77 12.433 11.820 -5.108 1.00 0.01 N ATOM 1210 CA ASP A 77 13.425 10.765 -4.716 1.00 0.01 C ATOM 1211 C ASP A 77 13.554 10.682 -3.192 1.00 0.01 C ATOM 1212 O ASP A 77 14.600 10.335 -2.680 1.00 0.01 O ATOM 1213 CB ASP A 77 14.789 11.129 -5.305 1.00 0.01 C ATOM 1214 CG ASP A 77 14.715 11.076 -6.833 1.00 0.01 C ATOM 1215 OD1 ASP A 77 14.002 10.225 -7.344 1.00 0.01 O ATOM 1216 OD2 ASP A 77 15.369 11.890 -7.466 1.00 0.02 O ATOM 0 H ASP A 77 12.793 12.774 -5.119 1.00 0.01 H new ATOM 0 HA ASP A 77 13.083 9.802 -5.095 1.00 0.01 H new ATOM 0 HB2 ASP A 77 15.084 12.126 -4.979 1.00 0.01 H new ATOM 0 HB3 ASP A 77 15.550 10.438 -4.943 1.00 0.01 H new ATOM 1221 N ARG A 78 12.520 11.021 -2.458 1.00 0.01 N ATOM 1222 CA ARG A 78 12.615 10.982 -0.963 1.00 0.01 C ATOM 1223 C ARG A 78 12.012 9.691 -0.392 1.00 0.02 C ATOM 1224 O ARG A 78 10.850 9.395 -0.584 1.00 0.02 O ATOM 1225 CB ARG A 78 11.876 12.193 -0.385 1.00 0.43 C ATOM 1226 CG ARG A 78 12.475 13.478 -0.962 1.00 0.80 C ATOM 1227 CD ARG A 78 11.676 14.683 -0.464 1.00 1.00 C ATOM 1228 NE ARG A 78 12.303 15.938 -0.967 1.00 1.30 N ATOM 1229 CZ ARG A 78 11.636 17.058 -0.931 1.00 2.30 C ATOM 1230 NH1 ARG A 78 10.421 17.078 -0.454 1.00 2.72 N ATOM 1231 NH2 ARG A 78 12.183 18.159 -1.368 1.00 3.20 N ATOM 0 H ARG A 78 11.618 11.322 -2.827 1.00 0.01 H new ATOM 0 HA ARG A 78 13.668 11.009 -0.684 1.00 0.01 H new ATOM 0 HB2 ARG A 78 10.815 12.134 -0.625 1.00 0.43 H new ATOM 0 HB3 ARG A 78 11.957 12.197 0.702 1.00 0.43 H new ATOM 0 HG2 ARG A 78 13.519 13.572 -0.662 1.00 0.80 H new ATOM 0 HG3 ARG A 78 12.458 13.442 -2.051 1.00 0.80 H new ATOM 0 HD2 ARG A 78 10.644 14.616 -0.809 1.00 1.00 H new ATOM 0 HD3 ARG A 78 11.648 14.689 0.626 1.00 1.00 H new ATOM 0 HE ARG A 78 13.253 15.921 -1.339 1.00 1.30 H new ATOM 0 HH11 ARG A 78 9.994 16.218 -0.110 1.00 2.72 H new ATOM 0 HH12 ARG A 78 9.899 17.954 -0.425 1.00 2.72 H new ATOM 0 HH21 ARG A 78 13.133 18.144 -1.738 1.00 3.20 H new ATOM 0 HH22 ARG A 78 11.660 19.034 -1.339 1.00 3.20 H new ATOM 1245 N LEU A 79 12.788 8.948 0.357 1.00 0.01 N ATOM 1246 CA LEU A 79 12.275 7.699 1.005 1.00 0.01 C ATOM 1247 C LEU A 79 12.924 7.605 2.386 1.00 0.01 C ATOM 1248 O LEU A 79 14.134 7.587 2.505 1.00 0.02 O ATOM 1249 CB LEU A 79 12.654 6.458 0.186 1.00 1.04 C ATOM 1250 CG LEU A 79 11.807 6.375 -1.096 1.00 1.85 C ATOM 1251 CD1 LEU A 79 12.231 5.133 -1.893 1.00 2.40 C ATOM 1252 CD2 LEU A 79 10.303 6.276 -0.750 1.00 2.61 C ATOM 0 H LEU A 79 13.768 9.156 0.550 1.00 0.01 H new ATOM 0 HA LEU A 79 11.188 7.738 1.073 1.00 0.01 H new ATOM 0 HB2 LEU A 79 13.712 6.496 -0.073 1.00 1.04 H new ATOM 0 HB3 LEU A 79 12.504 5.560 0.786 1.00 1.04 H new ATOM 0 HG LEU A 79 11.968 7.276 -1.688 1.00 1.85 H new ATOM 0 HD11 LEU A 79 11.636 5.065 -2.804 1.00 2.40 H new ATOM 0 HD12 LEU A 79 13.287 5.211 -2.154 1.00 2.40 H new ATOM 0 HD13 LEU A 79 12.071 4.240 -1.288 1.00 2.40 H new ATOM 0 HD21 LEU A 79 9.721 6.218 -1.670 1.00 2.61 H new ATOM 0 HD22 LEU A 79 10.125 5.382 -0.152 1.00 2.61 H new ATOM 0 HD23 LEU A 79 10.001 7.157 -0.184 1.00 2.61 H new ATOM 1264 N GLY A 80 12.138 7.589 3.435 1.00 0.02 N ATOM 1265 CA GLY A 80 12.713 7.550 4.818 1.00 0.02 C ATOM 1266 C GLY A 80 12.525 6.186 5.490 1.00 0.02 C ATOM 1267 O GLY A 80 13.201 5.888 6.455 1.00 0.01 O ATOM 0 H GLY A 80 11.119 7.601 3.394 1.00 0.02 H new ATOM 0 HA2 GLY A 80 13.776 7.787 4.773 1.00 0.02 H new ATOM 0 HA3 GLY A 80 12.240 8.320 5.427 1.00 0.02 H new ATOM 1271 N SER A 81 11.633 5.349 5.022 1.00 0.01 N ATOM 1272 CA SER A 81 11.458 4.020 5.702 1.00 0.01 C ATOM 1273 C SER A 81 10.874 2.990 4.738 1.00 0.02 C ATOM 1274 O SER A 81 10.218 3.318 3.768 1.00 0.01 O ATOM 1275 CB SER A 81 10.519 4.181 6.895 1.00 0.01 C ATOM 1276 OG SER A 81 10.289 2.908 7.488 1.00 0.01 O ATOM 0 H SER A 81 11.029 5.518 4.218 1.00 0.01 H new ATOM 0 HA SER A 81 12.435 3.671 6.037 1.00 0.01 H new ATOM 0 HB2 SER A 81 10.955 4.862 7.626 1.00 0.01 H new ATOM 0 HB3 SER A 81 9.575 4.621 6.573 1.00 0.01 H new ATOM 0 HG SER A 81 9.570 2.981 8.150 1.00 0.01 H new ATOM 1282 N CYS A 82 11.108 1.729 5.014 1.00 0.02 N ATOM 1283 CA CYS A 82 10.571 0.651 4.130 1.00 0.01 C ATOM 1284 C CYS A 82 10.195 -0.578 4.964 1.00 0.01 C ATOM 1285 O CYS A 82 10.816 -0.879 5.962 1.00 0.01 O ATOM 1286 CB CYS A 82 11.629 0.263 3.096 1.00 0.01 C ATOM 1287 SG CYS A 82 13.091 -0.390 3.942 1.00 0.02 S ATOM 0 H CYS A 82 11.648 1.401 5.815 1.00 0.02 H new ATOM 0 HA CYS A 82 9.680 1.020 3.622 1.00 0.01 H new ATOM 0 HB2 CYS A 82 11.227 -0.485 2.412 1.00 0.01 H new ATOM 0 HB3 CYS A 82 11.901 1.131 2.495 1.00 0.01 H new ATOM 0 HG CYS A 82 12.748 -0.850 5.108 1.00 0.02 H new ATOM 1293 N ARG A 83 9.183 -1.296 4.544 1.00 0.01 N ATOM 1294 CA ARG A 83 8.748 -2.522 5.290 1.00 0.01 C ATOM 1295 C ARG A 83 8.452 -3.637 4.290 1.00 0.01 C ATOM 1296 O ARG A 83 7.914 -3.408 3.223 1.00 0.01 O ATOM 1297 CB ARG A 83 7.457 -2.225 6.055 1.00 0.01 C ATOM 1298 CG ARG A 83 7.737 -1.219 7.174 1.00 0.01 C ATOM 1299 CD ARG A 83 6.542 -1.177 8.128 1.00 0.01 C ATOM 1300 NE ARG A 83 6.380 -2.505 8.781 1.00 0.01 N ATOM 1301 CZ ARG A 83 5.622 -2.623 9.837 1.00 0.01 C ATOM 1302 NH1 ARG A 83 5.005 -1.578 10.316 1.00 0.01 N ATOM 1303 NH2 ARG A 83 5.481 -3.786 10.413 1.00 0.01 N ATOM 0 H ARG A 83 8.634 -1.085 3.710 1.00 0.01 H new ATOM 0 HA ARG A 83 9.538 -2.819 5.979 1.00 0.01 H new ATOM 0 HB2 ARG A 83 6.704 -1.826 5.375 1.00 0.01 H new ATOM 0 HB3 ARG A 83 7.052 -3.146 6.474 1.00 0.01 H new ATOM 0 HG2 ARG A 83 8.639 -1.502 7.716 1.00 0.01 H new ATOM 0 HG3 ARG A 83 7.915 -0.230 6.753 1.00 0.01 H new ATOM 0 HD2 ARG A 83 6.693 -0.405 8.883 1.00 0.01 H new ATOM 0 HD3 ARG A 83 5.636 -0.916 7.581 1.00 0.01 H new ATOM 0 HE ARG A 83 6.861 -3.322 8.404 1.00 0.01 H new ATOM 0 HH11 ARG A 83 5.115 -0.670 9.865 1.00 0.01 H new ATOM 0 HH12 ARG A 83 4.412 -1.669 11.141 1.00 0.01 H new ATOM 0 HH21 ARG A 83 5.963 -4.603 10.038 1.00 0.01 H new ATOM 0 HH22 ARG A 83 4.889 -3.878 11.238 1.00 0.01 H new ATOM 1317 N ALA A 84 8.801 -4.853 4.623 1.00 0.01 N ATOM 1318 CA ALA A 84 8.543 -5.985 3.693 1.00 0.01 C ATOM 1319 C ALA A 84 7.073 -6.391 3.789 1.00 0.01 C ATOM 1320 O ALA A 84 6.530 -6.568 4.861 1.00 0.00 O ATOM 1321 CB ALA A 84 9.419 -7.177 4.080 1.00 0.43 C ATOM 0 H ALA A 84 9.254 -5.108 5.501 1.00 0.01 H new ATOM 0 HA ALA A 84 8.777 -5.677 2.674 1.00 0.01 H new ATOM 0 HB1 ALA A 84 9.229 -8.005 3.398 1.00 0.43 H new ATOM 0 HB2 ALA A 84 10.469 -6.891 4.020 1.00 0.43 H new ATOM 0 HB3 ALA A 84 9.185 -7.485 5.099 1.00 0.43 H new ATOM 1327 N VAL A 85 6.436 -6.555 2.665 1.00 0.01 N ATOM 1328 CA VAL A 85 5.005 -6.969 2.653 1.00 0.01 C ATOM 1329 C VAL A 85 4.931 -8.491 2.590 1.00 0.01 C ATOM 1330 O VAL A 85 5.480 -9.106 1.697 1.00 0.01 O ATOM 1331 CB VAL A 85 4.301 -6.377 1.433 1.00 0.98 C ATOM 1332 CG1 VAL A 85 2.793 -6.597 1.560 1.00 1.25 C ATOM 1333 CG2 VAL A 85 4.584 -4.875 1.355 1.00 1.12 C ATOM 0 H VAL A 85 6.850 -6.418 1.743 1.00 0.01 H new ATOM 0 HA VAL A 85 4.515 -6.608 3.557 1.00 0.01 H new ATOM 0 HB VAL A 85 4.671 -6.866 0.531 1.00 0.98 H new ATOM 0 HG11 VAL A 85 2.289 -6.175 0.690 1.00 1.25 H new ATOM 0 HG12 VAL A 85 2.585 -7.665 1.617 1.00 1.25 H new ATOM 0 HG13 VAL A 85 2.429 -6.107 2.463 1.00 1.25 H new ATOM 0 HG21 VAL A 85 4.081 -4.455 0.484 1.00 1.12 H new ATOM 0 HG22 VAL A 85 4.215 -4.388 2.258 1.00 1.12 H new ATOM 0 HG23 VAL A 85 5.658 -4.711 1.268 1.00 1.12 H new ATOM 1343 N HIS A 86 4.254 -9.115 3.512 1.00 0.01 N ATOM 1344 CA HIS A 86 4.148 -10.600 3.472 1.00 0.01 C ATOM 1345 C HIS A 86 2.890 -10.972 2.695 1.00 0.01 C ATOM 1346 O HIS A 86 1.818 -10.455 2.939 1.00 0.00 O ATOM 1347 CB HIS A 86 4.036 -11.144 4.898 1.00 0.21 C ATOM 1348 CG HIS A 86 5.106 -10.526 5.757 1.00 0.71 C ATOM 1349 ND1 HIS A 86 4.833 -9.991 7.006 1.00 1.26 N ATOM 1350 CD2 HIS A 86 6.452 -10.350 5.559 1.00 1.20 C ATOM 1351 CE1 HIS A 86 5.990 -9.522 7.507 1.00 1.77 C ATOM 1352 NE2 HIS A 86 7.010 -9.716 6.665 1.00 1.71 N ATOM 0 H HIS A 86 3.771 -8.664 4.289 1.00 0.01 H new ATOM 0 HA HIS A 86 5.030 -11.024 2.993 1.00 0.01 H new ATOM 0 HB2 HIS A 86 3.051 -10.920 5.308 1.00 0.21 H new ATOM 0 HB3 HIS A 86 4.140 -12.229 4.894 1.00 0.21 H new ATOM 0 HD2 HIS A 86 6.996 -10.657 4.678 1.00 1.20 H new ATOM 0 HE1 HIS A 86 6.083 -9.047 8.472 1.00 1.77 H new ATOM 0 HE2 HIS A 86 7.986 -9.456 6.803 1.00 1.71 H new ATOM 1360 N LEU A 87 3.013 -11.868 1.753 1.00 0.01 N ATOM 1361 CA LEU A 87 1.831 -12.284 0.946 1.00 0.01 C ATOM 1362 C LEU A 87 1.262 -13.558 1.568 1.00 0.01 C ATOM 1363 O LEU A 87 1.998 -14.448 1.950 1.00 0.01 O ATOM 1364 CB LEU A 87 2.280 -12.566 -0.503 1.00 0.67 C ATOM 1365 CG LEU A 87 3.442 -11.642 -0.886 1.00 1.25 C ATOM 1366 CD1 LEU A 87 3.816 -11.884 -2.349 1.00 1.63 C ATOM 1367 CD2 LEU A 87 3.026 -10.179 -0.702 1.00 1.34 C ATOM 0 H LEU A 87 3.887 -12.332 1.507 1.00 0.01 H new ATOM 0 HA LEU A 87 1.074 -11.500 0.936 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.587 -13.607 -0.600 1.00 0.67 H new ATOM 0 HB3 LEU A 87 1.445 -12.414 -1.186 1.00 0.67 H new ATOM 0 HG LEU A 87 4.298 -11.854 -0.246 1.00 1.25 H new ATOM 0 HD11 LEU A 87 4.642 -11.229 -2.626 1.00 1.63 H new ATOM 0 HD12 LEU A 87 4.117 -12.923 -2.480 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.956 -11.672 -2.984 1.00 1.63 H new ATOM 0 HD21 LEU A 87 3.856 -9.528 -0.976 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.169 -9.962 -1.339 1.00 1.34 H new ATOM 0 HD23 LEU A 87 2.757 -10.006 0.340 1.00 1.34 H new ATOM 1379 N SER A 88 -0.040 -13.667 1.652 1.00 0.01 N ATOM 1380 CA SER A 88 -0.674 -14.892 2.222 1.00 0.01 C ATOM 1381 C SER A 88 -1.372 -15.653 1.097 1.00 0.01 C ATOM 1382 O SER A 88 -2.222 -15.098 0.428 1.00 0.01 O ATOM 1383 CB SER A 88 -1.709 -14.492 3.274 1.00 0.81 C ATOM 1384 OG SER A 88 -2.386 -15.657 3.733 1.00 1.08 O ATOM 0 H SER A 88 -0.697 -12.950 1.346 1.00 0.01 H new ATOM 0 HA SER A 88 0.088 -15.519 2.685 1.00 0.01 H new ATOM 0 HB2 SER A 88 -1.221 -13.988 4.108 1.00 0.81 H new ATOM 0 HB3 SER A 88 -2.423 -13.786 2.849 1.00 0.81 H new ATOM 0 HG SER A 88 -2.382 -15.673 4.713 1.00 1.08 H new ATOM 1390 N SER A 89 -1.091 -16.914 0.901 1.00 0.01 N ATOM 1391 CA SER A 89 -1.822 -17.680 -0.157 1.00 0.01 C ATOM 1392 C SER A 89 -2.860 -18.524 0.573 1.00 0.01 C ATOM 1393 O SER A 89 -3.242 -18.182 1.676 1.00 0.01 O ATOM 1394 CB SER A 89 -0.846 -18.590 -0.909 1.00 0.43 C ATOM 1395 OG SER A 89 -1.549 -19.288 -1.927 1.00 1.26 O ATOM 0 H SER A 89 -0.393 -17.445 1.422 1.00 0.01 H new ATOM 0 HA SER A 89 -2.287 -17.014 -0.884 1.00 0.01 H new ATOM 0 HB2 SER A 89 -0.042 -17.998 -1.346 1.00 0.43 H new ATOM 0 HB3 SER A 89 -0.384 -19.296 -0.220 1.00 0.43 H new ATOM 0 HG SER A 89 -0.928 -19.871 -2.413 1.00 1.26 H new ATOM 1401 N GLY A 90 -3.305 -19.628 0.029 1.00 0.01 N ATOM 1402 CA GLY A 90 -4.293 -20.477 0.767 1.00 0.00 C ATOM 1403 C GLY A 90 -5.427 -20.953 -0.139 1.00 0.00 C ATOM 1404 O GLY A 90 -5.723 -22.130 -0.187 1.00 0.01 O ATOM 0 H GLY A 90 -3.030 -19.978 -0.889 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -3.782 -21.341 1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.708 -19.909 1.600 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.065 -20.073 -0.868 1.00 0.00 N ATOM 1409 CA GLY A 91 -7.163 -20.543 -1.756 1.00 0.00 C ATOM 1410 C GLY A 91 -7.820 -19.389 -2.525 1.00 0.00 C ATOM 1411 O GLY A 91 -7.307 -18.954 -3.535 1.00 0.01 O ATOM 0 H GLY A 91 -5.877 -19.071 -0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.769 -21.271 -2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.917 -21.055 -1.159 1.00 0.00 H new ATOM 1415 N GLN A 92 -8.955 -18.904 -2.072 1.00 1.80 N ATOM 1416 CA GLN A 92 -9.654 -17.785 -2.797 1.00 2.31 C ATOM 1417 C GLN A 92 -9.804 -16.558 -1.886 1.00 1.91 C ATOM 1418 O GLN A 92 -10.400 -16.612 -0.830 1.00 2.31 O ATOM 1419 CB GLN A 92 -11.023 -18.285 -3.262 1.00 2.11 C ATOM 1420 CG GLN A 92 -11.726 -17.189 -4.064 1.00 2.86 C ATOM 1421 CD GLN A 92 -12.936 -17.780 -4.784 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -13.598 -18.657 -4.265 1.00 3.99 O ATOM 1423 NE2 GLN A 92 -13.260 -17.333 -5.966 1.00 4.43 N ATOM 0 H GLN A 92 -9.429 -19.234 -1.231 1.00 1.80 H new ATOM 0 HA GLN A 92 -9.062 -17.481 -3.661 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -10.906 -19.179 -3.875 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -11.630 -18.566 -2.401 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -12.042 -16.384 -3.400 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -11.036 -16.754 -4.787 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -12.705 -16.597 -6.403 1.00 4.43 H new ATOM 0 HE22 GLN A 92 -14.068 -17.720 -6.454 1.00 4.43 H new ATOM 1432 N ALA A 93 -9.229 -15.453 -2.301 1.00 0.01 N ATOM 1433 CA ALA A 93 -9.289 -14.212 -1.470 1.00 0.01 C ATOM 1434 C ALA A 93 -10.741 -13.717 -1.389 1.00 0.01 C ATOM 1435 O ALA A 93 -11.472 -13.775 -2.358 1.00 0.01 O ATOM 1436 CB ALA A 93 -8.411 -13.138 -2.117 1.00 2.99 C ATOM 0 H ALA A 93 -8.721 -15.359 -3.180 1.00 0.01 H new ATOM 0 HA ALA A 93 -8.929 -14.423 -0.463 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -8.448 -12.228 -1.518 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -7.382 -13.494 -2.173 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -8.777 -12.926 -3.122 1.00 2.99 H new ATOM 1442 N LYS A 94 -11.193 -13.284 -0.219 1.00 0.00 N ATOM 1443 CA LYS A 94 -12.637 -12.846 -0.080 1.00 0.01 C ATOM 1444 C LYS A 94 -12.796 -11.550 0.736 1.00 0.01 C ATOM 1445 O LYS A 94 -12.279 -11.407 1.859 1.00 0.01 O ATOM 1446 CB LYS A 94 -13.436 -13.957 0.604 1.00 2.49 C ATOM 1447 CG LYS A 94 -14.916 -13.566 0.657 1.00 3.43 C ATOM 1448 CD LYS A 94 -15.759 -14.798 0.999 1.00 4.11 C ATOM 1449 CE LYS A 94 -15.269 -15.408 2.314 1.00 5.23 C ATOM 1450 NZ LYS A 94 -14.990 -14.320 3.294 1.00 6.36 N ATOM 0 H LYS A 94 -10.635 -13.216 0.632 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.009 -12.649 -1.085 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -13.316 -14.894 0.059 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -13.057 -14.124 1.612 1.00 2.49 H new ATOM 0 HG2 LYS A 94 -15.071 -12.788 1.404 1.00 3.43 H new ATOM 0 HG3 LYS A 94 -15.229 -13.153 -0.302 1.00 3.43 H new ATOM 0 HD2 LYS A 94 -16.809 -14.520 1.085 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -15.689 -15.533 0.197 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -16.021 -16.088 2.714 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -14.368 -15.996 2.141 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -15.106 -14.685 4.261 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -14.015 -13.980 3.167 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -15.654 -13.534 3.139 1.00 6.36 H new ATOM 1464 N ILE A 95 -13.549 -10.604 0.172 1.00 0.00 N ATOM 1465 CA ILE A 95 -13.810 -9.297 0.852 1.00 0.01 C ATOM 1466 C ILE A 95 -15.317 -8.967 0.820 1.00 0.01 C ATOM 1467 O ILE A 95 -15.994 -9.165 -0.174 1.00 0.01 O ATOM 1468 CB ILE A 95 -13.023 -8.197 0.114 1.00 0.34 C ATOM 1469 CG1 ILE A 95 -13.568 -6.802 0.469 1.00 0.30 C ATOM 1470 CG2 ILE A 95 -13.152 -8.412 -1.393 1.00 0.36 C ATOM 1471 CD1 ILE A 95 -12.577 -5.727 0.013 1.00 1.09 C ATOM 0 H ILE A 95 -13.992 -10.699 -0.742 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.492 -9.356 1.893 1.00 0.01 H new ATOM 0 HB ILE A 95 -11.978 -8.254 0.419 1.00 0.34 H new ATOM 0 HG12 ILE A 95 -14.534 -6.646 -0.011 1.00 0.30 H new ATOM 0 HG13 ILE A 95 -13.730 -6.728 1.544 1.00 0.30 H new ATOM 0 HG21 ILE A 95 -12.597 -7.636 -1.920 1.00 0.36 H new ATOM 0 HG22 ILE A 95 -12.749 -9.390 -1.657 1.00 0.36 H new ATOM 0 HG23 ILE A 95 -14.203 -8.364 -1.679 1.00 0.36 H new ATOM 0 HD11 ILE A 95 -12.967 -4.741 0.266 1.00 1.09 H new ATOM 0 HD12 ILE A 95 -11.620 -5.878 0.513 1.00 1.09 H new ATOM 0 HD13 ILE A 95 -12.437 -5.795 -1.066 1.00 1.09 H new ATOM 1483 N GLN A 96 -15.826 -8.398 1.898 1.00 0.01 N ATOM 1484 CA GLN A 96 -17.272 -7.968 1.958 1.00 0.01 C ATOM 1485 C GLN A 96 -17.300 -6.479 2.326 1.00 0.01 C ATOM 1486 O GLN A 96 -16.527 -6.046 3.154 1.00 0.00 O ATOM 1487 CB GLN A 96 -18.048 -8.802 2.990 1.00 0.53 C ATOM 1488 CG GLN A 96 -17.147 -9.137 4.171 1.00 0.82 C ATOM 1489 CD GLN A 96 -17.986 -9.734 5.303 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -17.561 -10.657 5.969 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -19.171 -9.245 5.550 1.00 2.05 N ATOM 0 H GLN A 96 -15.295 -8.211 2.748 1.00 0.01 H new ATOM 0 HA GLN A 96 -17.753 -8.127 0.993 1.00 0.01 H new ATOM 0 HB2 GLN A 96 -18.922 -8.249 3.334 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -18.413 -9.720 2.528 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -16.376 -9.844 3.864 1.00 0.82 H new ATOM 0 HG3 GLN A 96 -16.636 -8.239 4.518 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -19.529 -8.470 4.992 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -19.738 -9.638 6.301 1.00 2.05 H new ATOM 1500 N VAL A 97 -18.166 -5.678 1.731 1.00 0.01 N ATOM 1501 CA VAL A 97 -18.196 -4.207 2.062 1.00 0.01 C ATOM 1502 C VAL A 97 -19.600 -3.769 2.515 1.00 0.01 C ATOM 1503 O VAL A 97 -20.603 -4.290 2.065 1.00 0.01 O ATOM 1504 CB VAL A 97 -17.791 -3.419 0.814 1.00 0.77 C ATOM 1505 CG1 VAL A 97 -16.427 -3.911 0.322 1.00 1.10 C ATOM 1506 CG2 VAL A 97 -18.835 -3.637 -0.283 1.00 1.03 C ATOM 0 H VAL A 97 -18.849 -5.978 1.035 1.00 0.01 H new ATOM 0 HA VAL A 97 -17.502 -4.013 2.880 1.00 0.01 H new ATOM 0 HB VAL A 97 -17.730 -2.358 1.056 1.00 0.77 H new ATOM 0 HG11 VAL A 97 -16.137 -3.351 -0.567 1.00 1.10 H new ATOM 0 HG12 VAL A 97 -15.683 -3.761 1.104 1.00 1.10 H new ATOM 0 HG13 VAL A 97 -16.489 -4.972 0.078 1.00 1.10 H new ATOM 0 HG21 VAL A 97 -18.549 -3.077 -1.173 1.00 1.03 H new ATOM 0 HG22 VAL A 97 -18.893 -4.698 -0.525 1.00 1.03 H new ATOM 0 HG23 VAL A 97 -19.808 -3.291 0.067 1.00 1.03 H new ATOM 1516 N PHE A 98 -19.663 -2.821 3.433 1.00 0.01 N ATOM 1517 CA PHE A 98 -20.979 -2.337 3.970 1.00 0.01 C ATOM 1518 C PHE A 98 -21.156 -0.835 3.710 1.00 0.01 C ATOM 1519 O PHE A 98 -20.232 -0.036 3.830 1.00 0.01 O ATOM 1520 CB PHE A 98 -21.029 -2.579 5.479 1.00 0.25 C ATOM 1521 CG PHE A 98 -21.080 -4.063 5.763 1.00 0.36 C ATOM 1522 CD1 PHE A 98 -19.949 -4.855 5.536 1.00 0.42 C ATOM 1523 CD2 PHE A 98 -22.251 -4.645 6.263 1.00 0.58 C ATOM 1524 CE1 PHE A 98 -19.988 -6.226 5.806 1.00 0.56 C ATOM 1525 CE2 PHE A 98 -22.288 -6.017 6.536 1.00 0.73 C ATOM 1526 CZ PHE A 98 -21.157 -6.809 6.308 1.00 0.69 C ATOM 0 H PHE A 98 -18.847 -2.360 3.835 1.00 0.01 H new ATOM 0 HA PHE A 98 -21.777 -2.883 3.466 1.00 0.01 H new ATOM 0 HB2 PHE A 98 -20.153 -2.139 5.955 1.00 0.25 H new ATOM 0 HB3 PHE A 98 -21.904 -2.088 5.906 1.00 0.25 H new ATOM 0 HD1 PHE A 98 -19.045 -4.406 5.152 1.00 0.42 H new ATOM 0 HD2 PHE A 98 -23.125 -4.035 6.438 1.00 0.58 H new ATOM 0 HE1 PHE A 98 -19.115 -6.836 5.627 1.00 0.56 H new ATOM 0 HE2 PHE A 98 -23.191 -6.465 6.923 1.00 0.73 H new ATOM 0 HZ PHE A 98 -21.186 -7.868 6.519 1.00 0.69 H new ATOM 1536 N GLU A 99 -22.357 -0.458 3.352 1.00 0.01 N ATOM 1537 CA GLU A 99 -22.654 0.973 3.051 1.00 0.01 C ATOM 1538 C GLU A 99 -22.576 1.847 4.311 1.00 0.01 C ATOM 1539 O GLU A 99 -22.220 3.006 4.230 1.00 0.01 O ATOM 1540 CB GLU A 99 -24.058 1.084 2.456 1.00 0.01 C ATOM 1541 CG GLU A 99 -24.266 2.488 1.886 1.00 0.01 C ATOM 1542 CD GLU A 99 -25.634 2.562 1.209 1.00 0.01 C ATOM 1543 OE1 GLU A 99 -26.299 1.542 1.152 1.00 0.02 O ATOM 1544 OE2 GLU A 99 -25.993 3.636 0.758 1.00 0.01 O ATOM 0 H GLU A 99 -23.153 -1.089 3.255 1.00 0.01 H new ATOM 0 HA GLU A 99 -21.906 1.328 2.342 1.00 0.01 H new ATOM 0 HB2 GLU A 99 -24.191 0.339 1.672 1.00 0.01 H new ATOM 0 HB3 GLU A 99 -24.806 0.877 3.222 1.00 0.01 H new ATOM 0 HG2 GLU A 99 -24.201 3.229 2.682 1.00 0.01 H new ATOM 0 HG3 GLU A 99 -23.479 2.722 1.168 1.00 0.01 H new ATOM 1551 N LYS A 100 -22.915 1.320 5.470 1.00 0.01 N ATOM 1552 CA LYS A 100 -22.867 2.150 6.725 1.00 0.01 C ATOM 1553 C LYS A 100 -21.795 1.612 7.679 1.00 0.01 C ATOM 1554 O LYS A 100 -21.267 0.533 7.498 1.00 0.01 O ATOM 1555 CB LYS A 100 -24.225 2.110 7.425 1.00 0.94 C ATOM 1556 CG LYS A 100 -25.311 2.586 6.458 1.00 1.63 C ATOM 1557 CD LYS A 100 -26.691 2.314 7.060 1.00 2.19 C ATOM 1558 CE LYS A 100 -27.773 2.863 6.127 1.00 2.84 C ATOM 1559 NZ LYS A 100 -29.117 2.480 6.647 1.00 3.18 N ATOM 0 H LYS A 100 -23.221 0.356 5.601 1.00 0.01 H new ATOM 0 HA LYS A 100 -22.623 3.177 6.452 1.00 0.01 H new ATOM 0 HB2 LYS A 100 -24.442 1.097 7.763 1.00 0.94 H new ATOM 0 HB3 LYS A 100 -24.208 2.745 8.311 1.00 0.94 H new ATOM 0 HG2 LYS A 100 -25.194 3.651 6.259 1.00 1.63 H new ATOM 0 HG3 LYS A 100 -25.212 2.071 5.502 1.00 1.63 H new ATOM 0 HD2 LYS A 100 -26.831 1.243 7.206 1.00 2.19 H new ATOM 0 HD3 LYS A 100 -26.770 2.782 8.041 1.00 2.19 H new ATOM 0 HE2 LYS A 100 -27.693 3.948 6.058 1.00 2.84 H new ATOM 0 HE3 LYS A 100 -27.635 2.469 5.120 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 -29.853 2.852 6.014 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 -29.190 1.443 6.691 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 -29.247 2.877 7.600 1.00 3.18 H new ATOM 1573 N GLY A 101 -21.468 2.374 8.684 1.00 0.01 N ATOM 1574 CA GLY A 101 -20.422 1.943 9.655 1.00 0.01 C ATOM 1575 C GLY A 101 -20.926 0.784 10.521 1.00 0.00 C ATOM 1576 O GLY A 101 -22.108 0.521 10.616 1.00 0.01 O ATOM 0 H GLY A 101 -21.884 3.285 8.877 1.00 0.01 H new ATOM 0 HA2 GLY A 101 -19.525 1.637 9.117 1.00 0.01 H new ATOM 0 HA3 GLY A 101 -20.142 2.783 10.291 1.00 0.01 H new ATOM 1580 N ASP A 102 -20.014 0.112 11.169 1.00 0.01 N ATOM 1581 CA ASP A 102 -20.376 -1.023 12.066 1.00 0.00 C ATOM 1582 C ASP A 102 -21.144 -2.112 11.315 1.00 0.00 C ATOM 1583 O ASP A 102 -22.043 -2.733 11.846 1.00 0.01 O ATOM 1584 CB ASP A 102 -21.230 -0.498 13.221 1.00 0.01 C ATOM 1585 CG ASP A 102 -20.620 0.798 13.758 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -19.405 0.905 13.757 1.00 0.01 O ATOM 1587 OD2 ASP A 102 -21.380 1.662 14.163 1.00 0.01 O ATOM 0 H ASP A 102 -19.014 0.306 11.113 1.00 0.01 H new ATOM 0 HA ASP A 102 -19.455 -1.465 12.446 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -22.250 -0.319 12.881 1.00 0.01 H new ATOM 0 HB3 ASP A 102 -21.285 -1.243 14.015 1.00 0.01 H new ATOM 1592 N PHE A 103 -20.766 -2.373 10.094 1.00 0.01 N ATOM 1593 CA PHE A 103 -21.429 -3.452 9.305 1.00 0.01 C ATOM 1594 C PHE A 103 -22.948 -3.273 9.289 1.00 0.00 C ATOM 1595 O PHE A 103 -23.690 -4.178 9.619 1.00 0.01 O ATOM 1596 CB PHE A 103 -21.081 -4.804 9.930 1.00 0.01 C ATOM 1597 CG PHE A 103 -19.614 -4.816 10.302 1.00 0.00 C ATOM 1598 CD1 PHE A 103 -18.640 -4.793 9.298 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -19.229 -4.844 11.650 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -17.281 -4.798 9.637 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -17.868 -4.849 11.991 1.00 0.01 C ATOM 1602 CZ PHE A 103 -16.896 -4.827 10.981 1.00 0.01 C ATOM 0 H PHE A 103 -20.019 -1.881 9.604 1.00 0.01 H new ATOM 0 HA PHE A 103 -21.072 -3.403 8.276 1.00 0.01 H new ATOM 0 HB2 PHE A 103 -21.694 -4.978 10.814 1.00 0.01 H new ATOM 0 HB3 PHE A 103 -21.297 -5.609 9.228 1.00 0.01 H new ATOM 0 HD1 PHE A 103 -18.936 -4.771 8.260 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -19.980 -4.862 12.426 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -16.531 -4.779 8.861 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -17.570 -4.870 13.029 1.00 0.01 H new ATOM 0 HZ PHE A 103 -15.848 -4.832 11.241 1.00 0.01 H new ATOM 1612 N ASN A 104 -23.417 -2.124 8.877 1.00 0.00 N ATOM 1613 CA ASN A 104 -24.889 -1.876 8.793 1.00 0.01 C ATOM 1614 C ASN A 104 -25.200 -1.354 7.389 1.00 0.01 C ATOM 1615 O ASN A 104 -24.313 -0.965 6.653 1.00 0.01 O ATOM 1616 CB ASN A 104 -25.298 -0.821 9.825 1.00 1.68 C ATOM 1617 CG ASN A 104 -25.316 -1.452 11.216 1.00 2.31 C ATOM 1618 OD1 ASN A 104 -26.319 -1.996 11.637 1.00 3.15 O ATOM 1619 ND2 ASN A 104 -24.241 -1.403 11.955 1.00 2.38 N ATOM 0 H ASN A 104 -22.836 -1.336 8.591 1.00 0.00 H new ATOM 0 HA ASN A 104 -25.437 -2.797 8.993 1.00 0.01 H new ATOM 0 HB2 ASN A 104 -24.600 0.016 9.802 1.00 1.68 H new ATOM 0 HB3 ASN A 104 -26.283 -0.421 9.582 1.00 1.68 H new ATOM 0 HD21 ASN A 104 -24.242 -1.821 12.885 1.00 2.38 H new ATOM 0 HD22 ASN A 104 -23.400 -0.947 11.602 1.00 2.38 H new ATOM 1626 N GLY A 105 -26.446 -1.356 6.996 1.00 0.01 N ATOM 1627 CA GLY A 105 -26.793 -0.865 5.628 1.00 0.01 C ATOM 1628 C GLY A 105 -26.750 -2.036 4.650 1.00 0.01 C ATOM 1629 O GLY A 105 -26.774 -3.185 5.049 1.00 0.01 O ATOM 0 H GLY A 105 -27.235 -1.674 7.558 1.00 0.01 H new ATOM 0 HA2 GLY A 105 -27.785 -0.414 5.631 1.00 0.01 H new ATOM 0 HA3 GLY A 105 -26.092 -0.090 5.318 1.00 0.01 H new ATOM 1633 N GLN A 106 -26.673 -1.773 3.375 1.00 0.01 N ATOM 1634 CA GLN A 106 -26.612 -2.892 2.396 1.00 0.01 C ATOM 1635 C GLN A 106 -25.207 -3.500 2.414 1.00 0.01 C ATOM 1636 O GLN A 106 -24.209 -2.807 2.533 1.00 0.01 O ATOM 1637 CB GLN A 106 -26.920 -2.358 0.996 1.00 0.01 C ATOM 1638 CG GLN A 106 -27.101 -3.532 0.032 1.00 0.01 C ATOM 1639 CD GLN A 106 -28.404 -4.265 0.356 1.00 0.01 C ATOM 1640 OE1 GLN A 106 -29.474 -3.694 0.271 1.00 0.01 O ATOM 1641 NE2 GLN A 106 -28.358 -5.513 0.732 1.00 0.01 N ATOM 0 H GLN A 106 -26.650 -0.837 2.971 1.00 0.01 H new ATOM 0 HA GLN A 106 -27.344 -3.655 2.662 1.00 0.01 H new ATOM 0 HB2 GLN A 106 -27.824 -1.749 1.018 1.00 0.01 H new ATOM 0 HB3 GLN A 106 -26.110 -1.714 0.654 1.00 0.01 H new ATOM 0 HG2 GLN A 106 -27.121 -3.172 -0.996 1.00 0.01 H new ATOM 0 HG3 GLN A 106 -26.257 -4.217 0.114 1.00 0.01 H new ATOM 0 HE21 GLN A 106 -27.460 -5.991 0.803 1.00 0.01 H new ATOM 0 HE22 GLN A 106 -29.220 -6.011 0.955 1.00 0.01 H new ATOM 1650 N MET A 107 -25.138 -4.803 2.301 1.00 0.01 N ATOM 1651 CA MET A 107 -23.821 -5.515 2.313 1.00 0.01 C ATOM 1652 C MET A 107 -23.599 -6.203 0.967 1.00 0.01 C ATOM 1653 O MET A 107 -24.513 -6.728 0.364 1.00 0.01 O ATOM 1654 CB MET A 107 -23.830 -6.576 3.424 1.00 0.00 C ATOM 1655 CG MET A 107 -22.592 -7.476 3.319 1.00 0.01 C ATOM 1656 SD MET A 107 -22.912 -8.815 2.141 1.00 0.01 S ATOM 1657 CE MET A 107 -23.613 -9.993 3.321 1.00 0.01 C ATOM 0 H MET A 107 -25.949 -5.413 2.199 1.00 0.01 H new ATOM 0 HA MET A 107 -23.021 -4.796 2.492 1.00 0.01 H new ATOM 0 HB2 MET A 107 -23.851 -6.089 4.399 1.00 0.00 H new ATOM 0 HB3 MET A 107 -24.734 -7.181 3.350 1.00 0.00 H new ATOM 0 HG2 MET A 107 -21.731 -6.891 2.995 1.00 0.01 H new ATOM 0 HG3 MET A 107 -22.347 -7.890 4.297 1.00 0.01 H new ATOM 0 HE1 MET A 107 -23.887 -10.911 2.800 1.00 0.01 H new ATOM 0 HE2 MET A 107 -22.876 -10.219 4.091 1.00 0.01 H new ATOM 0 HE3 MET A 107 -24.500 -9.560 3.784 1.00 0.01 H new ATOM 1667 N TYR A 108 -22.376 -6.214 0.504 1.00 0.01 N ATOM 1668 CA TYR A 108 -22.043 -6.880 -0.795 1.00 0.00 C ATOM 1669 C TYR A 108 -20.809 -7.763 -0.581 1.00 0.01 C ATOM 1670 O TYR A 108 -19.855 -7.374 0.063 1.00 0.01 O ATOM 1671 CB TYR A 108 -21.740 -5.820 -1.857 1.00 0.54 C ATOM 1672 CG TYR A 108 -23.030 -5.187 -2.323 1.00 0.60 C ATOM 1673 CD1 TYR A 108 -23.842 -5.854 -3.247 1.00 1.24 C ATOM 1674 CD2 TYR A 108 -23.414 -3.934 -1.831 1.00 0.93 C ATOM 1675 CE1 TYR A 108 -25.038 -5.268 -3.681 1.00 1.76 C ATOM 1676 CE2 TYR A 108 -24.609 -3.346 -2.265 1.00 1.51 C ATOM 1677 CZ TYR A 108 -25.421 -4.013 -3.189 1.00 1.82 C ATOM 1678 OH TYR A 108 -26.599 -3.436 -3.616 1.00 2.48 O ATOM 0 H TYR A 108 -21.581 -5.784 0.977 1.00 0.01 H new ATOM 0 HA TYR A 108 -22.885 -7.485 -1.133 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -21.077 -5.058 -1.447 1.00 0.54 H new ATOM 0 HB3 TYR A 108 -21.220 -6.274 -2.701 1.00 0.54 H new ATOM 0 HD1 TYR A 108 -23.546 -6.821 -3.626 1.00 1.24 H new ATOM 0 HD2 TYR A 108 -22.788 -3.420 -1.116 1.00 0.93 H new ATOM 0 HE1 TYR A 108 -25.664 -5.783 -4.394 1.00 1.76 H new ATOM 0 HE2 TYR A 108 -24.904 -2.378 -1.887 1.00 1.51 H new ATOM 0 HH TYR A 108 -26.716 -2.568 -3.177 1.00 2.48 H new ATOM 1688 N GLU A 109 -20.841 -8.962 -1.107 1.00 0.01 N ATOM 1689 CA GLU A 109 -19.699 -9.920 -0.935 1.00 0.01 C ATOM 1690 C GLU A 109 -19.086 -10.241 -2.297 1.00 0.01 C ATOM 1691 O GLU A 109 -19.786 -10.504 -3.255 1.00 0.01 O ATOM 1692 CB GLU A 109 -20.246 -11.199 -0.300 1.00 0.01 C ATOM 1693 CG GLU A 109 -19.084 -12.118 0.079 1.00 0.01 C ATOM 1694 CD GLU A 109 -19.618 -13.334 0.837 1.00 0.00 C ATOM 1695 OE1 GLU A 109 -20.422 -13.141 1.734 1.00 0.00 O ATOM 1696 OE2 GLU A 109 -19.211 -14.437 0.507 1.00 0.00 O ATOM 0 H GLU A 109 -21.620 -9.325 -1.656 1.00 0.01 H new ATOM 0 HA GLU A 109 -18.929 -9.482 -0.301 1.00 0.01 H new ATOM 0 HB2 GLU A 109 -20.834 -10.956 0.585 1.00 0.01 H new ATOM 0 HB3 GLU A 109 -20.913 -11.707 -0.997 1.00 0.01 H new ATOM 0 HG2 GLU A 109 -18.554 -12.440 -0.818 1.00 0.01 H new ATOM 0 HG3 GLU A 109 -18.367 -11.578 0.697 1.00 0.01 H new ATOM 1703 N THR A 110 -17.777 -10.217 -2.405 1.00 0.01 N ATOM 1704 CA THR A 110 -17.143 -10.517 -3.725 1.00 0.00 C ATOM 1705 C THR A 110 -15.770 -11.176 -3.547 1.00 0.01 C ATOM 1706 O THR A 110 -15.045 -10.928 -2.590 1.00 0.01 O ATOM 1707 CB THR A 110 -16.969 -9.223 -4.522 1.00 1.21 C ATOM 1708 OG1 THR A 110 -16.435 -9.529 -5.804 1.00 1.65 O ATOM 1709 CG2 THR A 110 -16.016 -8.286 -3.779 1.00 1.69 C ATOM 0 H THR A 110 -17.130 -10.005 -1.646 1.00 0.01 H new ATOM 0 HA THR A 110 -17.797 -11.206 -4.259 1.00 0.00 H new ATOM 0 HB THR A 110 -17.936 -8.733 -4.637 1.00 1.21 H new ATOM 0 HG1 THR A 110 -16.324 -8.702 -6.318 1.00 1.65 H new ATOM 0 HG21 THR A 110 -15.894 -7.365 -4.349 1.00 1.69 H new ATOM 0 HG22 THR A 110 -16.427 -8.053 -2.797 1.00 1.69 H new ATOM 0 HG23 THR A 110 -15.047 -8.771 -3.661 1.00 1.69 H new ATOM 1717 N THR A 111 -15.430 -12.019 -4.494 1.00 0.00 N ATOM 1718 CA THR A 111 -14.123 -12.744 -4.476 1.00 0.01 C ATOM 1719 C THR A 111 -13.262 -12.294 -5.663 1.00 0.01 C ATOM 1720 O THR A 111 -12.233 -12.878 -5.942 1.00 0.01 O ATOM 1721 CB THR A 111 -14.381 -14.249 -4.583 1.00 0.01 C ATOM 1722 OG1 THR A 111 -14.884 -14.551 -5.877 1.00 0.01 O ATOM 1723 CG2 THR A 111 -15.404 -14.670 -3.526 1.00 0.01 C ATOM 0 H THR A 111 -16.020 -12.238 -5.297 1.00 0.00 H new ATOM 0 HA THR A 111 -13.600 -12.521 -3.546 1.00 0.01 H new ATOM 0 HB THR A 111 -13.449 -14.790 -4.419 1.00 0.01 H new ATOM 0 HG1 THR A 111 -15.048 -15.515 -5.948 1.00 0.01 H new ATOM 0 HG21 THR A 111 -15.587 -15.742 -3.603 1.00 0.01 H new ATOM 0 HG22 THR A 111 -15.018 -14.438 -2.533 1.00 0.01 H new ATOM 0 HG23 THR A 111 -16.337 -14.130 -3.687 1.00 0.01 H new ATOM 1731 N GLU A 112 -13.698 -11.282 -6.383 1.00 0.01 N ATOM 1732 CA GLU A 112 -12.933 -10.810 -7.590 1.00 0.01 C ATOM 1733 C GLU A 112 -12.550 -9.332 -7.461 1.00 0.01 C ATOM 1734 O GLU A 112 -13.108 -8.599 -6.669 1.00 0.01 O ATOM 1735 CB GLU A 112 -13.807 -10.985 -8.833 1.00 0.85 C ATOM 1736 CG GLU A 112 -14.017 -12.476 -9.104 1.00 1.61 C ATOM 1737 CD GLU A 112 -14.723 -12.660 -10.448 1.00 2.51 C ATOM 1738 OE1 GLU A 112 -14.223 -12.141 -11.433 1.00 3.07 O ATOM 1739 OE2 GLU A 112 -15.749 -13.319 -10.471 1.00 3.21 O ATOM 0 H GLU A 112 -14.553 -10.761 -6.187 1.00 0.01 H new ATOM 0 HA GLU A 112 -12.020 -11.400 -7.671 1.00 0.01 H new ATOM 0 HB2 GLU A 112 -14.768 -10.492 -8.687 1.00 0.85 H new ATOM 0 HB3 GLU A 112 -13.334 -10.511 -9.693 1.00 0.85 H new ATOM 0 HG2 GLU A 112 -13.057 -12.993 -9.112 1.00 1.61 H new ATOM 0 HG3 GLU A 112 -14.612 -12.921 -8.306 1.00 1.61 H new ATOM 1746 N ASP A 113 -11.612 -8.888 -8.256 1.00 0.01 N ATOM 1747 CA ASP A 113 -11.196 -7.455 -8.215 1.00 0.01 C ATOM 1748 C ASP A 113 -12.308 -6.573 -8.801 1.00 0.00 C ATOM 1749 O ASP A 113 -13.098 -7.014 -9.611 1.00 0.01 O ATOM 1750 CB ASP A 113 -9.935 -7.286 -9.057 1.00 0.01 C ATOM 1751 CG ASP A 113 -10.247 -7.612 -10.520 1.00 0.01 C ATOM 1752 OD1 ASP A 113 -10.282 -8.787 -10.849 1.00 0.00 O ATOM 1753 OD2 ASP A 113 -10.446 -6.682 -11.284 1.00 0.00 O ATOM 0 H ASP A 113 -11.113 -9.461 -8.937 1.00 0.01 H new ATOM 0 HA ASP A 113 -11.007 -7.160 -7.183 1.00 0.01 H new ATOM 0 HB2 ASP A 113 -9.563 -6.265 -8.973 1.00 0.01 H new ATOM 0 HB3 ASP A 113 -9.148 -7.943 -8.687 1.00 0.01 H new ATOM 1758 N CYS A 114 -12.344 -5.318 -8.417 1.00 0.01 N ATOM 1759 CA CYS A 114 -13.367 -4.371 -8.970 1.00 0.01 C ATOM 1760 C CYS A 114 -12.654 -3.092 -9.467 1.00 0.01 C ATOM 1761 O CYS A 114 -12.078 -2.382 -8.665 1.00 0.01 O ATOM 1762 CB CYS A 114 -14.345 -3.986 -7.862 1.00 0.01 C ATOM 1763 SG CYS A 114 -15.439 -5.384 -7.518 1.00 0.01 S ATOM 0 H CYS A 114 -11.703 -4.906 -7.739 1.00 0.01 H new ATOM 0 HA CYS A 114 -13.902 -4.847 -9.792 1.00 0.01 H new ATOM 0 HB2 CYS A 114 -13.800 -3.706 -6.961 1.00 0.01 H new ATOM 0 HB3 CYS A 114 -14.930 -3.117 -8.163 1.00 0.01 H new ATOM 0 HG CYS A 114 -15.151 -5.884 -6.353 1.00 0.01 H new ATOM 1769 N PRO A 115 -12.688 -2.762 -10.751 1.00 0.01 N ATOM 1770 CA PRO A 115 -12.018 -1.515 -11.220 1.00 0.01 C ATOM 1771 C PRO A 115 -12.823 -0.264 -10.834 1.00 0.01 C ATOM 1772 O PRO A 115 -12.264 0.798 -10.623 1.00 0.01 O ATOM 1773 CB PRO A 115 -11.980 -1.714 -12.745 1.00 0.01 C ATOM 1774 CG PRO A 115 -13.016 -2.796 -13.099 1.00 0.01 C ATOM 1775 CD PRO A 115 -13.359 -3.574 -11.813 1.00 0.01 C ATOM 0 HA PRO A 115 -11.034 -1.358 -10.778 1.00 0.01 H new ATOM 0 HB2 PRO A 115 -12.210 -0.781 -13.259 1.00 0.01 H new ATOM 0 HB3 PRO A 115 -10.984 -2.018 -13.067 1.00 0.01 H new ATOM 0 HG2 PRO A 115 -13.913 -2.341 -13.518 1.00 0.01 H new ATOM 0 HG3 PRO A 115 -12.617 -3.471 -13.856 1.00 0.01 H new ATOM 0 HD2 PRO A 115 -14.435 -3.639 -11.654 1.00 0.01 H new ATOM 0 HD3 PRO A 115 -12.979 -4.595 -11.843 1.00 0.01 H new ATOM 1783 N SER A 116 -14.127 -0.376 -10.757 1.00 0.01 N ATOM 1784 CA SER A 116 -14.972 0.806 -10.395 1.00 0.02 C ATOM 1785 C SER A 116 -16.136 0.342 -9.513 1.00 0.01 C ATOM 1786 O SER A 116 -17.050 -0.330 -9.956 1.00 0.00 O ATOM 1787 CB SER A 116 -15.515 1.447 -11.671 1.00 0.01 C ATOM 1788 OG SER A 116 -14.465 2.145 -12.326 1.00 0.01 O ATOM 0 H SER A 116 -14.644 -1.238 -10.930 1.00 0.01 H new ATOM 0 HA SER A 116 -14.374 1.537 -9.850 1.00 0.02 H new ATOM 0 HB2 SER A 116 -15.926 0.682 -12.330 1.00 0.01 H new ATOM 0 HB3 SER A 116 -16.329 2.132 -11.431 1.00 0.01 H new ATOM 0 HG SER A 116 -14.808 2.557 -13.147 1.00 0.01 H new ATOM 1794 N ILE A 117 -16.080 0.686 -8.254 1.00 0.01 N ATOM 1795 CA ILE A 117 -17.140 0.264 -7.296 1.00 0.01 C ATOM 1796 C ILE A 117 -18.488 0.875 -7.666 1.00 0.01 C ATOM 1797 O ILE A 117 -19.512 0.232 -7.544 1.00 0.00 O ATOM 1798 CB ILE A 117 -16.754 0.719 -5.891 1.00 0.57 C ATOM 1799 CG1 ILE A 117 -15.472 0.005 -5.462 1.00 1.44 C ATOM 1800 CG2 ILE A 117 -17.877 0.379 -4.907 1.00 0.93 C ATOM 1801 CD1 ILE A 117 -14.909 0.676 -4.210 1.00 1.83 C ATOM 0 H ILE A 117 -15.334 1.249 -7.845 1.00 0.01 H new ATOM 0 HA ILE A 117 -17.229 -0.822 -7.335 1.00 0.01 H new ATOM 0 HB ILE A 117 -16.593 1.797 -5.894 1.00 0.57 H new ATOM 0 HG12 ILE A 117 -15.678 -1.047 -5.262 1.00 1.44 H new ATOM 0 HG13 ILE A 117 -14.738 0.039 -6.267 1.00 1.44 H new ATOM 0 HG21 ILE A 117 -17.595 0.706 -3.906 1.00 0.93 H new ATOM 0 HG22 ILE A 117 -18.793 0.887 -5.210 1.00 0.93 H new ATOM 0 HG23 ILE A 117 -18.044 -0.698 -4.903 1.00 0.93 H new ATOM 0 HD11 ILE A 117 -13.995 0.167 -3.904 1.00 1.83 H new ATOM 0 HD12 ILE A 117 -14.687 1.721 -4.426 1.00 1.83 H new ATOM 0 HD13 ILE A 117 -15.642 0.619 -3.406 1.00 1.83 H new ATOM 1813 N MET A 118 -18.509 2.111 -8.081 1.00 0.02 N ATOM 1814 CA MET A 118 -19.816 2.744 -8.413 1.00 0.01 C ATOM 1815 C MET A 118 -20.426 2.061 -9.632 1.00 0.01 C ATOM 1816 O MET A 118 -21.619 1.864 -9.705 1.00 0.02 O ATOM 1817 CB MET A 118 -19.636 4.238 -8.691 1.00 0.24 C ATOM 1818 CG MET A 118 -21.005 4.906 -8.807 1.00 0.63 C ATOM 1819 SD MET A 118 -20.788 6.645 -9.254 1.00 1.20 S ATOM 1820 CE MET A 118 -20.825 6.425 -11.048 1.00 1.34 C ATOM 0 H MET A 118 -17.688 2.704 -8.204 1.00 0.02 H new ATOM 0 HA MET A 118 -20.485 2.628 -7.560 1.00 0.01 H new ATOM 0 HB2 MET A 118 -19.061 4.701 -7.889 1.00 0.24 H new ATOM 0 HB3 MET A 118 -19.071 4.381 -9.612 1.00 0.24 H new ATOM 0 HG2 MET A 118 -21.607 4.398 -9.560 1.00 0.63 H new ATOM 0 HG3 MET A 118 -21.542 4.826 -7.862 1.00 0.63 H new ATOM 0 HE1 MET A 118 -20.706 7.392 -11.536 1.00 1.34 H new ATOM 0 HE2 MET A 118 -20.013 5.763 -11.350 1.00 1.34 H new ATOM 0 HE3 MET A 118 -21.779 5.986 -11.341 1.00 1.34 H new ATOM 1830 N GLU A 119 -19.636 1.688 -10.592 1.00 0.01 N ATOM 1831 CA GLU A 119 -20.217 1.022 -11.785 1.00 0.02 C ATOM 1832 C GLU A 119 -20.718 -0.374 -11.404 1.00 0.02 C ATOM 1833 O GLU A 119 -21.718 -0.845 -11.910 1.00 0.01 O ATOM 1834 CB GLU A 119 -19.143 0.901 -12.870 1.00 0.30 C ATOM 1835 CG GLU A 119 -18.813 2.291 -13.417 1.00 0.99 C ATOM 1836 CD GLU A 119 -17.690 2.179 -14.449 1.00 1.69 C ATOM 1837 OE1 GLU A 119 -17.131 1.101 -14.573 1.00 2.11 O ATOM 1838 OE2 GLU A 119 -17.406 3.173 -15.096 1.00 2.07 O ATOM 0 H GLU A 119 -18.624 1.813 -10.605 1.00 0.01 H new ATOM 0 HA GLU A 119 -21.052 1.613 -12.160 1.00 0.02 H new ATOM 0 HB2 GLU A 119 -18.246 0.438 -12.459 1.00 0.30 H new ATOM 0 HB3 GLU A 119 -19.495 0.256 -13.675 1.00 0.30 H new ATOM 0 HG2 GLU A 119 -19.698 2.733 -13.874 1.00 0.99 H new ATOM 0 HG3 GLU A 119 -18.510 2.951 -12.604 1.00 0.99 H new ATOM 1845 N GLN A 120 -19.998 -1.062 -10.559 1.00 0.00 N ATOM 1846 CA GLN A 120 -20.399 -2.455 -10.199 1.00 0.01 C ATOM 1847 C GLN A 120 -21.516 -2.489 -9.150 1.00 0.01 C ATOM 1848 O GLN A 120 -22.454 -3.250 -9.269 1.00 0.01 O ATOM 1849 CB GLN A 120 -19.177 -3.196 -9.651 1.00 0.52 C ATOM 1850 CG GLN A 120 -19.554 -4.650 -9.354 1.00 1.07 C ATOM 1851 CD GLN A 120 -18.283 -5.478 -9.157 1.00 1.08 C ATOM 1852 OE1 GLN A 120 -18.208 -6.292 -8.258 1.00 0.98 O ATOM 1853 NE2 GLN A 120 -17.273 -5.303 -9.966 1.00 2.08 N ATOM 0 H GLN A 120 -19.151 -0.722 -10.103 1.00 0.00 H new ATOM 0 HA GLN A 120 -20.779 -2.935 -11.101 1.00 0.01 H new ATOM 0 HB2 GLN A 120 -18.362 -3.161 -10.374 1.00 0.52 H new ATOM 0 HB3 GLN A 120 -18.819 -2.709 -8.744 1.00 0.52 H new ATOM 0 HG2 GLN A 120 -20.175 -4.700 -8.460 1.00 1.07 H new ATOM 0 HG3 GLN A 120 -20.143 -5.059 -10.175 1.00 1.07 H new ATOM 0 HE21 GLN A 120 -17.336 -4.620 -10.721 1.00 2.08 H new ATOM 0 HE22 GLN A 120 -16.421 -5.850 -9.843 1.00 2.08 H new ATOM 1862 N PHE A 121 -21.384 -1.729 -8.089 1.00 0.02 N ATOM 1863 CA PHE A 121 -22.402 -1.781 -6.983 1.00 0.01 C ATOM 1864 C PHE A 121 -23.236 -0.503 -6.883 1.00 0.01 C ATOM 1865 O PHE A 121 -24.100 -0.392 -6.035 1.00 0.01 O ATOM 1866 CB PHE A 121 -21.673 -2.002 -5.659 1.00 0.01 C ATOM 1867 CG PHE A 121 -20.858 -3.270 -5.737 1.00 0.01 C ATOM 1868 CD1 PHE A 121 -21.433 -4.493 -5.372 1.00 0.01 C ATOM 1869 CD2 PHE A 121 -19.531 -3.223 -6.175 1.00 0.01 C ATOM 1870 CE1 PHE A 121 -20.679 -5.672 -5.445 1.00 0.01 C ATOM 1871 CE2 PHE A 121 -18.776 -4.400 -6.249 1.00 0.01 C ATOM 1872 CZ PHE A 121 -19.350 -5.625 -5.884 1.00 0.01 C ATOM 0 H PHE A 121 -20.617 -1.074 -7.938 1.00 0.02 H new ATOM 0 HA PHE A 121 -23.088 -2.599 -7.205 1.00 0.01 H new ATOM 0 HB2 PHE A 121 -21.024 -1.153 -5.443 1.00 0.01 H new ATOM 0 HB3 PHE A 121 -22.392 -2.069 -4.843 1.00 0.01 H new ATOM 0 HD1 PHE A 121 -22.458 -4.528 -5.034 1.00 0.01 H new ATOM 0 HD2 PHE A 121 -19.088 -2.279 -6.456 1.00 0.01 H new ATOM 0 HE1 PHE A 121 -21.122 -6.616 -5.163 1.00 0.01 H new ATOM 0 HE2 PHE A 121 -17.751 -4.364 -6.587 1.00 0.01 H new ATOM 0 HZ PHE A 121 -18.768 -6.533 -5.941 1.00 0.01 H new ATOM 1882 N HIS A 122 -22.993 0.466 -7.718 1.00 0.01 N ATOM 1883 CA HIS A 122 -23.782 1.724 -7.634 1.00 0.01 C ATOM 1884 C HIS A 122 -23.591 2.355 -6.251 1.00 0.01 C ATOM 1885 O HIS A 122 -24.488 2.974 -5.711 1.00 0.02 O ATOM 1886 CB HIS A 122 -25.264 1.411 -7.879 1.00 0.01 C ATOM 1887 CG HIS A 122 -25.381 0.375 -8.961 1.00 0.01 C ATOM 1888 ND1 HIS A 122 -25.371 -0.983 -8.685 1.00 0.01 N ATOM 1889 CD2 HIS A 122 -25.511 0.479 -10.323 1.00 0.01 C ATOM 1890 CE1 HIS A 122 -25.492 -1.635 -9.854 1.00 0.00 C ATOM 1891 NE2 HIS A 122 -25.581 -0.791 -10.886 1.00 0.01 N ATOM 0 H HIS A 122 -22.285 0.442 -8.452 1.00 0.01 H new ATOM 0 HA HIS A 122 -23.439 2.428 -8.392 1.00 0.01 H new ATOM 0 HB2 HIS A 122 -25.727 1.049 -6.961 1.00 0.01 H new ATOM 0 HB3 HIS A 122 -25.796 2.317 -8.168 1.00 0.01 H new ATOM 0 HD2 HIS A 122 -25.553 1.407 -10.874 1.00 0.01 H new ATOM 0 HE1 HIS A 122 -25.515 -2.711 -9.948 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -25.679 -1.027 -11.873 1.00 0.01 H new ATOM 1899 N LEU A 123 -22.416 2.204 -5.678 1.00 0.01 N ATOM 1900 CA LEU A 123 -22.136 2.793 -4.322 1.00 0.01 C ATOM 1901 C LEU A 123 -21.101 3.912 -4.480 1.00 0.02 C ATOM 1902 O LEU A 123 -20.119 3.769 -5.182 1.00 0.01 O ATOM 1903 CB LEU A 123 -21.574 1.697 -3.388 1.00 0.01 C ATOM 1904 CG LEU A 123 -22.711 1.012 -2.602 1.00 0.01 C ATOM 1905 CD1 LEU A 123 -22.243 -0.360 -2.103 1.00 0.01 C ATOM 1906 CD2 LEU A 123 -23.105 1.862 -1.384 1.00 0.01 C ATOM 0 H LEU A 123 -21.635 1.696 -6.093 1.00 0.01 H new ATOM 0 HA LEU A 123 -23.054 3.192 -3.891 1.00 0.01 H new ATOM 0 HB2 LEU A 123 -21.033 0.955 -3.975 1.00 0.01 H new ATOM 0 HB3 LEU A 123 -20.859 2.137 -2.693 1.00 0.01 H new ATOM 0 HG LEU A 123 -23.568 0.900 -3.266 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -23.049 -0.840 -1.548 1.00 0.01 H new ATOM 0 HD12 LEU A 123 -21.968 -0.982 -2.954 1.00 0.01 H new ATOM 0 HD13 LEU A 123 -21.379 -0.235 -1.451 1.00 0.01 H new ATOM 0 HD21 LEU A 123 -23.908 1.366 -0.839 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -22.242 1.981 -0.729 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -23.445 2.842 -1.719 1.00 0.01 H new ATOM 1918 N ARG A 124 -21.320 5.031 -3.839 1.00 0.01 N ATOM 1919 CA ARG A 124 -20.361 6.169 -3.958 1.00 0.00 C ATOM 1920 C ARG A 124 -19.320 6.115 -2.835 1.00 0.01 C ATOM 1921 O ARG A 124 -18.246 6.671 -2.947 1.00 0.01 O ATOM 1922 CB ARG A 124 -21.128 7.488 -3.870 1.00 1.67 C ATOM 1923 CG ARG A 124 -21.998 7.650 -5.118 1.00 1.98 C ATOM 1924 CD ARG A 124 -22.997 8.786 -4.901 1.00 2.92 C ATOM 1925 NE ARG A 124 -22.269 10.020 -4.499 1.00 3.54 N ATOM 1926 CZ ARG A 124 -22.868 11.177 -4.555 1.00 4.57 C ATOM 1927 NH1 ARG A 124 -24.105 11.252 -4.964 1.00 5.25 N ATOM 1928 NH2 ARG A 124 -22.232 12.260 -4.202 1.00 5.32 N ATOM 0 H ARG A 124 -22.124 5.206 -3.237 1.00 0.01 H new ATOM 0 HA ARG A 124 -19.849 6.097 -4.917 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -21.750 7.502 -2.975 1.00 1.67 H new ATOM 0 HB3 ARG A 124 -20.432 8.322 -3.787 1.00 1.67 H new ATOM 0 HG2 ARG A 124 -21.372 7.863 -5.985 1.00 1.98 H new ATOM 0 HG3 ARG A 124 -22.528 6.721 -5.328 1.00 1.98 H new ATOM 0 HD2 ARG A 124 -23.562 8.967 -5.815 1.00 2.92 H new ATOM 0 HD3 ARG A 124 -23.717 8.509 -4.131 1.00 2.92 H new ATOM 0 HE ARG A 124 -21.302 9.961 -4.180 1.00 3.54 H new ATOM 0 HH11 ARG A 124 -24.603 10.406 -5.240 1.00 5.25 H new ATOM 0 HH12 ARG A 124 -24.574 12.157 -5.008 1.00 5.25 H new ATOM 0 HH21 ARG A 124 -21.265 12.202 -3.882 1.00 5.32 H new ATOM 0 HH22 ARG A 124 -22.701 13.164 -4.246 1.00 5.32 H new ATOM 1942 N GLU A 125 -19.638 5.466 -1.739 1.00 0.01 N ATOM 1943 CA GLU A 125 -18.678 5.395 -0.593 1.00 0.01 C ATOM 1944 C GLU A 125 -18.863 4.075 0.163 1.00 0.01 C ATOM 1945 O GLU A 125 -19.877 3.417 0.043 1.00 0.01 O ATOM 1946 CB GLU A 125 -18.953 6.553 0.369 1.00 0.01 C ATOM 1947 CG GLU A 125 -18.816 7.881 -0.376 1.00 0.01 C ATOM 1948 CD GLU A 125 -18.805 9.032 0.631 1.00 0.02 C ATOM 1949 OE1 GLU A 125 -19.492 8.924 1.634 1.00 0.02 O ATOM 1950 OE2 GLU A 125 -18.111 10.002 0.385 1.00 0.01 O ATOM 0 H GLU A 125 -20.523 4.982 -1.590 1.00 0.01 H new ATOM 0 HA GLU A 125 -17.660 5.457 -0.978 1.00 0.01 H new ATOM 0 HB2 GLU A 125 -19.955 6.461 0.788 1.00 0.01 H new ATOM 0 HB3 GLU A 125 -18.254 6.519 1.204 1.00 0.01 H new ATOM 0 HG2 GLU A 125 -17.897 7.888 -0.962 1.00 0.01 H new ATOM 0 HG3 GLU A 125 -19.642 8.004 -1.076 1.00 0.01 H new ATOM 1957 N ILE A 126 -17.900 3.704 0.971 1.00 0.01 N ATOM 1958 CA ILE A 126 -18.008 2.446 1.783 1.00 0.01 C ATOM 1959 C ILE A 126 -17.631 2.795 3.227 1.00 0.01 C ATOM 1960 O ILE A 126 -16.634 3.447 3.459 1.00 0.01 O ATOM 1961 CB ILE A 126 -17.043 1.392 1.228 1.00 1.33 C ATOM 1962 CG1 ILE A 126 -17.621 0.845 -0.080 1.00 1.49 C ATOM 1963 CG2 ILE A 126 -16.880 0.243 2.238 1.00 2.17 C ATOM 1964 CD1 ILE A 126 -16.604 -0.071 -0.752 1.00 1.70 C ATOM 0 H ILE A 126 -17.033 4.224 1.106 1.00 0.01 H new ATOM 0 HA ILE A 126 -19.020 2.042 1.741 1.00 0.01 H new ATOM 0 HB ILE A 126 -16.067 1.843 1.050 1.00 1.33 H new ATOM 0 HG12 ILE A 126 -18.541 0.297 0.120 1.00 1.49 H new ATOM 0 HG13 ILE A 126 -17.879 1.668 -0.746 1.00 1.49 H new ATOM 0 HG21 ILE A 126 -16.193 -0.501 1.835 1.00 2.17 H new ATOM 0 HG22 ILE A 126 -16.482 0.635 3.174 1.00 2.17 H new ATOM 0 HG23 ILE A 126 -17.849 -0.220 2.422 1.00 2.17 H new ATOM 0 HD11 ILE A 126 -17.021 -0.457 -1.682 1.00 1.70 H new ATOM 0 HD12 ILE A 126 -15.695 0.491 -0.967 1.00 1.70 H new ATOM 0 HD13 ILE A 126 -16.368 -0.902 -0.088 1.00 1.70 H new ATOM 1976 N HIS A 127 -18.448 2.428 4.196 1.00 0.01 N ATOM 1977 CA HIS A 127 -18.139 2.826 5.614 1.00 0.01 C ATOM 1978 C HIS A 127 -17.653 1.653 6.472 1.00 0.01 C ATOM 1979 O HIS A 127 -17.108 1.855 7.538 1.00 0.01 O ATOM 1980 CB HIS A 127 -19.388 3.448 6.251 1.00 0.02 C ATOM 1981 CG HIS A 127 -19.606 4.834 5.699 1.00 0.01 C ATOM 1982 ND1 HIS A 127 -19.800 5.070 4.347 1.00 0.01 N ATOM 1983 CD2 HIS A 127 -19.659 6.064 6.306 1.00 0.01 C ATOM 1984 CE1 HIS A 127 -19.959 6.397 4.185 1.00 0.01 C ATOM 1985 NE2 HIS A 127 -19.883 7.050 5.348 1.00 0.02 N ATOM 0 H HIS A 127 -19.299 1.881 4.070 1.00 0.01 H new ATOM 0 HA HIS A 127 -17.325 3.550 5.576 1.00 0.01 H new ATOM 0 HB2 HIS A 127 -20.259 2.825 6.049 1.00 0.02 H new ATOM 0 HB3 HIS A 127 -19.272 3.492 7.334 1.00 0.02 H new ATOM 0 HD2 HIS A 127 -19.544 6.240 7.365 1.00 0.01 H new ATOM 0 HE1 HIS A 127 -20.127 6.875 3.231 1.00 0.01 H new ATOM 0 HE2 HIS A 127 -19.970 8.055 5.501 1.00 0.02 H new ATOM 1993 N SER A 128 -17.793 0.439 6.025 1.00 0.01 N ATOM 1994 CA SER A 128 -17.277 -0.703 6.844 1.00 0.01 C ATOM 1995 C SER A 128 -17.005 -1.879 5.909 1.00 0.01 C ATOM 1996 O SER A 128 -17.591 -1.986 4.853 1.00 0.01 O ATOM 1997 CB SER A 128 -18.323 -1.096 7.898 1.00 0.01 C ATOM 1998 OG SER A 128 -18.339 -2.509 8.048 1.00 0.01 O ATOM 0 H SER A 128 -18.235 0.184 5.142 1.00 0.01 H new ATOM 0 HA SER A 128 -16.359 -0.418 7.357 1.00 0.01 H new ATOM 0 HB2 SER A 128 -18.090 -0.621 8.851 1.00 0.01 H new ATOM 0 HB3 SER A 128 -19.309 -0.741 7.597 1.00 0.01 H new ATOM 0 HG SER A 128 -18.201 -2.739 8.990 1.00 0.01 H new ATOM 2004 N CYS A 129 -16.104 -2.757 6.254 1.00 0.01 N ATOM 2005 CA CYS A 129 -15.809 -3.889 5.337 1.00 0.01 C ATOM 2006 C CYS A 129 -15.061 -4.984 6.093 1.00 0.00 C ATOM 2007 O CYS A 129 -14.268 -4.719 6.976 1.00 0.01 O ATOM 2008 CB CYS A 129 -14.950 -3.376 4.177 1.00 0.69 C ATOM 2009 SG CYS A 129 -14.173 -4.764 3.309 1.00 1.22 S ATOM 0 H CYS A 129 -15.566 -2.740 7.120 1.00 0.01 H new ATOM 0 HA CYS A 129 -16.740 -4.303 4.949 1.00 0.01 H new ATOM 0 HB2 CYS A 129 -15.567 -2.804 3.484 1.00 0.69 H new ATOM 0 HB3 CYS A 129 -14.183 -2.699 4.555 1.00 0.69 H new ATOM 0 HG CYS A 129 -15.046 -5.711 3.136 1.00 1.22 H new ATOM 2015 N LYS A 130 -15.311 -6.223 5.751 1.00 0.01 N ATOM 2016 CA LYS A 130 -14.625 -7.356 6.445 1.00 0.01 C ATOM 2017 C LYS A 130 -13.875 -8.196 5.409 1.00 0.01 C ATOM 2018 O LYS A 130 -14.451 -8.860 4.576 1.00 0.01 O ATOM 2019 CB LYS A 130 -15.685 -8.217 7.185 1.00 0.55 C ATOM 2020 CG LYS A 130 -15.632 -7.948 8.698 1.00 0.80 C ATOM 2021 CD LYS A 130 -16.914 -8.455 9.366 1.00 0.29 C ATOM 2022 CE LYS A 130 -16.973 -9.981 9.275 1.00 0.33 C ATOM 2023 NZ LYS A 130 -18.020 -10.493 10.205 1.00 1.41 N ATOM 0 H LYS A 130 -15.964 -6.500 5.018 1.00 0.01 H new ATOM 0 HA LYS A 130 -13.910 -6.976 7.175 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -16.680 -7.988 6.803 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -15.504 -9.274 6.991 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -14.765 -8.444 9.134 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -15.514 -6.880 8.882 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -16.940 -8.142 10.410 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -17.786 -8.018 8.880 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -17.198 -10.287 8.253 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -16.004 -10.409 9.530 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -18.061 -11.530 10.144 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -17.787 -10.212 11.179 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -18.944 -10.094 9.942 1.00 1.41 H new ATOM 2037 N VAL A 131 -12.581 -8.169 5.490 1.00 0.01 N ATOM 2038 CA VAL A 131 -11.721 -8.962 4.571 1.00 0.01 C ATOM 2039 C VAL A 131 -11.136 -10.075 5.408 1.00 0.01 C ATOM 2040 O VAL A 131 -10.420 -9.805 6.361 1.00 0.01 O ATOM 2041 CB VAL A 131 -10.590 -8.076 4.037 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -9.747 -8.862 3.032 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -11.181 -6.843 3.350 1.00 0.01 C ATOM 0 H VAL A 131 -12.066 -7.615 6.174 1.00 0.01 H new ATOM 0 HA VAL A 131 -12.285 -9.348 3.722 1.00 0.01 H new ATOM 0 HB VAL A 131 -9.961 -7.761 4.870 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -8.945 -8.228 2.655 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -9.319 -9.737 3.522 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -10.376 -9.183 2.202 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -10.374 -6.215 2.972 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -11.815 -7.157 2.521 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -11.775 -6.277 4.067 1.00 0.01 H new ATOM 2053 N VAL A 132 -11.341 -11.330 5.043 1.00 0.01 N ATOM 2054 CA VAL A 132 -10.677 -12.412 5.841 1.00 0.01 C ATOM 2055 C VAL A 132 -10.307 -13.557 4.910 1.00 0.00 C ATOM 2056 O VAL A 132 -10.800 -14.658 5.050 1.00 0.01 O ATOM 2057 CB VAL A 132 -11.651 -12.922 6.908 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -10.897 -13.803 7.905 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -12.272 -11.734 7.649 1.00 1.98 C ATOM 0 H VAL A 132 -11.916 -11.638 4.259 1.00 0.01 H new ATOM 0 HA VAL A 132 -9.780 -12.021 6.322 1.00 0.01 H new ATOM 0 HB VAL A 132 -12.440 -13.502 6.429 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -11.589 -14.167 8.665 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -10.456 -14.651 7.380 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -10.108 -13.221 8.381 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -12.964 -12.100 8.407 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -11.485 -11.152 8.127 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -12.810 -11.104 6.940 1.00 1.98 H new ATOM 2069 N GLU A 133 -9.424 -13.318 3.997 1.00 0.01 N ATOM 2070 CA GLU A 133 -8.974 -14.392 3.068 1.00 0.01 C ATOM 2071 C GLU A 133 -8.012 -13.736 2.072 1.00 0.01 C ATOM 2072 O GLU A 133 -8.444 -12.976 1.221 1.00 0.01 O ATOM 2073 CB GLU A 133 -10.189 -15.049 2.348 1.00 0.00 C ATOM 2074 CG GLU A 133 -10.138 -16.579 2.490 1.00 0.00 C ATOM 2075 CD GLU A 133 -10.258 -16.967 3.965 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -11.370 -16.960 4.470 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -9.237 -17.265 4.565 1.00 0.00 O ATOM 0 H GLU A 133 -8.983 -12.411 3.847 1.00 0.01 H new ATOM 0 HA GLU A 133 -8.472 -15.195 3.608 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -11.119 -14.670 2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.185 -14.776 1.293 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -10.947 -17.034 1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -9.203 -16.961 2.079 1.00 0.00 H new ATOM 2084 N GLY A 134 -6.739 -14.017 2.158 1.00 0.01 N ATOM 2085 CA GLY A 134 -5.770 -13.402 1.203 1.00 0.01 C ATOM 2086 C GLY A 134 -5.576 -11.915 1.532 1.00 0.01 C ATOM 2087 O GLY A 134 -6.063 -11.421 2.528 1.00 0.01 O ATOM 0 H GLY A 134 -6.328 -14.646 2.848 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -4.814 -13.922 1.258 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -6.135 -13.512 0.182 1.00 0.01 H new ATOM 2091 N THR A 135 -4.857 -11.198 0.694 1.00 0.01 N ATOM 2092 CA THR A 135 -4.608 -9.735 0.932 1.00 0.01 C ATOM 2093 C THR A 135 -5.360 -8.919 -0.131 1.00 0.01 C ATOM 2094 O THR A 135 -5.450 -9.314 -1.279 1.00 0.01 O ATOM 2095 CB THR A 135 -3.095 -9.454 0.824 1.00 1.43 C ATOM 2096 OG1 THR A 135 -2.527 -10.324 -0.146 1.00 1.92 O ATOM 2097 CG2 THR A 135 -2.414 -9.695 2.177 1.00 2.30 C ATOM 0 H THR A 135 -4.428 -11.569 -0.154 1.00 0.01 H new ATOM 0 HA THR A 135 -4.959 -9.454 1.925 1.00 0.01 H new ATOM 0 HB THR A 135 -2.945 -8.415 0.529 1.00 1.43 H new ATOM 0 HG1 THR A 135 -1.566 -10.148 -0.220 1.00 1.92 H new ATOM 0 HG21 THR A 135 -1.346 -9.493 2.088 1.00 2.30 H new ATOM 0 HG22 THR A 135 -2.847 -9.032 2.926 1.00 2.30 H new ATOM 0 HG23 THR A 135 -2.564 -10.731 2.480 1.00 2.30 H new ATOM 2105 N TRP A 136 -5.899 -7.783 0.247 1.00 0.01 N ATOM 2106 CA TRP A 136 -6.659 -6.926 -0.726 1.00 0.01 C ATOM 2107 C TRP A 136 -6.141 -5.482 -0.664 1.00 0.01 C ATOM 2108 O TRP A 136 -5.797 -4.984 0.384 1.00 0.00 O ATOM 2109 CB TRP A 136 -8.146 -6.940 -0.360 1.00 0.01 C ATOM 2110 CG TRP A 136 -8.759 -8.245 -0.761 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -8.681 -9.389 -0.044 1.00 0.01 C ATOM 2112 CD2 TRP A 136 -9.540 -8.557 -1.950 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -9.369 -10.384 -0.716 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -9.913 -9.919 -1.898 1.00 0.01 C ATOM 2115 CE3 TRP A 136 -9.956 -7.796 -3.058 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 -10.674 -10.507 -2.908 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 -10.719 -8.388 -4.077 1.00 0.01 C ATOM 2118 CH2 TRP A 136 -11.078 -9.738 -4.002 1.00 0.01 C ATOM 0 H TRP A 136 -5.846 -7.409 1.194 1.00 0.01 H new ATOM 0 HA TRP A 136 -6.520 -7.319 -1.733 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -8.267 -6.786 0.712 1.00 0.01 H new ATOM 0 HB3 TRP A 136 -8.660 -6.119 -0.859 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -8.166 -9.507 0.898 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -9.463 -11.343 -0.380 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -9.687 -6.752 -3.125 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -10.949 -11.549 -2.845 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 -11.031 -7.797 -4.925 1.00 0.01 H new ATOM 0 HH2 TRP A 136 -11.667 -10.185 -4.789 1.00 0.01 H new ATOM 2129 N ILE A 137 -6.118 -4.794 -1.779 1.00 0.01 N ATOM 2130 CA ILE A 137 -5.668 -3.363 -1.795 1.00 0.00 C ATOM 2131 C ILE A 137 -6.841 -2.507 -2.274 1.00 0.01 C ATOM 2132 O ILE A 137 -7.557 -2.888 -3.173 1.00 0.01 O ATOM 2133 CB ILE A 137 -4.506 -3.180 -2.780 1.00 0.60 C ATOM 2134 CG1 ILE A 137 -3.395 -4.186 -2.461 1.00 1.32 C ATOM 2135 CG2 ILE A 137 -3.949 -1.755 -2.662 1.00 1.37 C ATOM 2136 CD1 ILE A 137 -2.166 -3.882 -3.325 1.00 1.69 C ATOM 0 H ILE A 137 -6.394 -5.164 -2.688 1.00 0.01 H new ATOM 0 HA ILE A 137 -5.341 -3.073 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 137 -4.868 -3.347 -3.795 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -3.133 -4.131 -1.405 1.00 1.32 H new ATOM 0 HG13 ILE A 137 -3.744 -5.201 -2.650 1.00 1.32 H new ATOM 0 HG21 ILE A 137 -3.124 -1.628 -3.363 1.00 1.37 H new ATOM 0 HG22 ILE A 137 -4.735 -1.037 -2.893 1.00 1.37 H new ATOM 0 HG23 ILE A 137 -3.592 -1.587 -1.646 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -1.376 -4.598 -3.098 1.00 1.69 H new ATOM 0 HD12 ILE A 137 -2.434 -3.959 -4.379 1.00 1.69 H new ATOM 0 HD13 ILE A 137 -1.813 -2.873 -3.113 1.00 1.69 H new ATOM 2148 N PHE A 138 -7.002 -1.326 -1.713 1.00 0.01 N ATOM 2149 CA PHE A 138 -8.093 -0.394 -2.169 1.00 0.01 C ATOM 2150 C PHE A 138 -7.423 0.836 -2.778 1.00 0.01 C ATOM 2151 O PHE A 138 -6.391 1.279 -2.313 1.00 0.00 O ATOM 2152 CB PHE A 138 -9.043 -0.023 -0.990 1.00 1.11 C ATOM 2153 CG PHE A 138 -8.679 1.270 -0.255 1.00 1.11 C ATOM 2154 CD1 PHE A 138 -8.709 2.524 -0.905 1.00 1.54 C ATOM 2155 CD2 PHE A 138 -8.362 1.215 1.110 1.00 1.46 C ATOM 2156 CE1 PHE A 138 -8.409 3.691 -0.192 1.00 2.35 C ATOM 2157 CE2 PHE A 138 -8.071 2.386 1.817 1.00 2.01 C ATOM 2158 CZ PHE A 138 -8.090 3.620 1.166 1.00 2.49 C ATOM 0 H PHE A 138 -6.422 -0.966 -0.955 1.00 0.01 H new ATOM 0 HA PHE A 138 -8.721 -0.875 -2.918 1.00 0.01 H new ATOM 0 HB2 PHE A 138 -10.059 0.068 -1.375 1.00 1.11 H new ATOM 0 HB3 PHE A 138 -9.046 -0.844 -0.273 1.00 1.11 H new ATOM 0 HD1 PHE A 138 -8.964 2.582 -1.953 1.00 1.54 H new ATOM 0 HD2 PHE A 138 -8.342 0.262 1.618 1.00 1.46 H new ATOM 0 HE1 PHE A 138 -8.424 4.648 -0.693 1.00 2.35 H new ATOM 0 HE2 PHE A 138 -7.831 2.335 2.869 1.00 2.01 H new ATOM 0 HZ PHE A 138 -7.858 4.522 1.713 1.00 2.49 H new ATOM 2168 N TYR A 139 -8.009 1.393 -3.812 1.00 0.01 N ATOM 2169 CA TYR A 139 -7.430 2.611 -4.467 1.00 0.01 C ATOM 2170 C TYR A 139 -8.477 3.729 -4.459 1.00 0.01 C ATOM 2171 O TYR A 139 -9.675 3.482 -4.531 1.00 0.01 O ATOM 2172 CB TYR A 139 -7.035 2.280 -5.909 1.00 0.01 C ATOM 2173 CG TYR A 139 -6.235 0.995 -5.932 1.00 0.01 C ATOM 2174 CD1 TYR A 139 -6.882 -0.228 -5.734 1.00 0.01 C ATOM 2175 CD2 TYR A 139 -4.853 1.027 -6.154 1.00 0.01 C ATOM 2176 CE1 TYR A 139 -6.153 -1.422 -5.755 1.00 0.01 C ATOM 2177 CE2 TYR A 139 -4.121 -0.168 -6.176 1.00 0.02 C ATOM 2178 CZ TYR A 139 -4.771 -1.391 -5.976 1.00 0.02 C ATOM 2179 OH TYR A 139 -4.051 -2.567 -5.998 1.00 0.00 O ATOM 0 H TYR A 139 -8.873 1.052 -4.234 1.00 0.01 H new ATOM 0 HA TYR A 139 -6.544 2.937 -3.922 1.00 0.01 H new ATOM 0 HB2 TYR A 139 -7.927 2.176 -6.527 1.00 0.01 H new ATOM 0 HB3 TYR A 139 -6.447 3.094 -6.332 1.00 0.01 H new ATOM 0 HD1 TYR A 139 -7.948 -0.251 -5.564 1.00 0.01 H new ATOM 0 HD2 TYR A 139 -4.352 1.971 -6.308 1.00 0.01 H new ATOM 0 HE1 TYR A 139 -6.655 -2.366 -5.601 1.00 0.01 H new ATOM 0 HE2 TYR A 139 -3.055 -0.145 -6.347 1.00 0.02 H new ATOM 0 HH TYR A 139 -3.106 -2.369 -6.164 1.00 0.00 H new ATOM 2189 N GLU A 140 -8.037 4.950 -4.311 1.00 0.01 N ATOM 2190 CA GLU A 140 -8.988 6.095 -4.218 1.00 0.02 C ATOM 2191 C GLU A 140 -9.616 6.433 -5.575 1.00 0.01 C ATOM 2192 O GLU A 140 -10.733 6.914 -5.619 1.00 0.01 O ATOM 2193 CB GLU A 140 -8.203 7.307 -3.714 1.00 0.01 C ATOM 2194 CG GLU A 140 -9.173 8.429 -3.345 1.00 0.02 C ATOM 2195 CD GLU A 140 -8.384 9.660 -2.893 1.00 0.02 C ATOM 2196 OE1 GLU A 140 -7.611 9.535 -1.956 1.00 0.01 O ATOM 2197 OE2 GLU A 140 -8.564 10.706 -3.494 1.00 0.02 O ATOM 0 H GLU A 140 -7.051 5.205 -4.250 1.00 0.01 H new ATOM 0 HA GLU A 140 -9.799 5.827 -3.541 1.00 0.02 H new ATOM 0 HB2 GLU A 140 -7.604 7.030 -2.846 1.00 0.01 H new ATOM 0 HB3 GLU A 140 -7.510 7.650 -4.483 1.00 0.01 H new ATOM 0 HG2 GLU A 140 -9.798 8.680 -4.202 1.00 0.02 H new ATOM 0 HG3 GLU A 140 -9.840 8.100 -2.549 1.00 0.02 H new ATOM 2204 N LEU A 141 -8.938 6.210 -6.680 1.00 0.01 N ATOM 2205 CA LEU A 141 -9.543 6.552 -8.015 1.00 0.02 C ATOM 2206 C LEU A 141 -9.749 5.251 -8.823 1.00 0.01 C ATOM 2207 O LEU A 141 -9.044 4.280 -8.617 1.00 0.01 O ATOM 2208 CB LEU A 141 -8.568 7.479 -8.770 1.00 0.57 C ATOM 2209 CG LEU A 141 -8.761 8.943 -8.317 1.00 0.81 C ATOM 2210 CD1 LEU A 141 -7.481 9.743 -8.590 1.00 1.48 C ATOM 2211 CD2 LEU A 141 -9.923 9.592 -9.085 1.00 1.24 C ATOM 0 H LEU A 141 -8.001 5.810 -6.717 1.00 0.01 H new ATOM 0 HA LEU A 141 -10.503 7.051 -7.882 1.00 0.02 H new ATOM 0 HB2 LEU A 141 -7.541 7.166 -8.584 1.00 0.57 H new ATOM 0 HB3 LEU A 141 -8.737 7.398 -9.844 1.00 0.57 H new ATOM 0 HG LEU A 141 -8.984 8.947 -7.250 1.00 0.81 H new ATOM 0 HD11 LEU A 141 -7.622 10.775 -8.269 1.00 1.48 H new ATOM 0 HD12 LEU A 141 -6.651 9.301 -8.038 1.00 1.48 H new ATOM 0 HD13 LEU A 141 -7.259 9.722 -9.657 1.00 1.48 H new ATOM 0 HD21 LEU A 141 -10.046 10.623 -8.755 1.00 1.24 H new ATOM 0 HD22 LEU A 141 -9.707 9.577 -10.153 1.00 1.24 H new ATOM 0 HD23 LEU A 141 -10.841 9.037 -8.893 1.00 1.24 H new ATOM 2223 N PRO A 142 -10.700 5.229 -9.743 1.00 0.01 N ATOM 2224 CA PRO A 142 -10.959 4.006 -10.560 1.00 0.01 C ATOM 2225 C PRO A 142 -9.704 3.494 -11.274 1.00 0.01 C ATOM 2226 O PRO A 142 -8.700 4.171 -11.394 1.00 0.01 O ATOM 2227 CB PRO A 142 -12.027 4.486 -11.569 1.00 0.01 C ATOM 2228 CG PRO A 142 -12.260 5.992 -11.349 1.00 0.02 C ATOM 2229 CD PRO A 142 -11.580 6.399 -10.035 1.00 0.01 C ATOM 0 HA PRO A 142 -11.280 3.160 -9.952 1.00 0.01 H new ATOM 0 HB2 PRO A 142 -11.695 4.299 -12.590 1.00 0.01 H new ATOM 0 HB3 PRO A 142 -12.956 3.934 -11.429 1.00 0.01 H new ATOM 0 HG2 PRO A 142 -11.851 6.565 -12.181 1.00 0.02 H new ATOM 0 HG3 PRO A 142 -13.327 6.209 -11.307 1.00 0.02 H new ATOM 0 HD2 PRO A 142 -11.006 7.319 -10.144 1.00 0.01 H new ATOM 0 HD3 PRO A 142 -12.306 6.568 -9.239 1.00 0.01 H new ATOM 2237 N ASN A 143 -9.800 2.292 -11.772 1.00 0.01 N ATOM 2238 CA ASN A 143 -8.669 1.672 -12.521 1.00 0.01 C ATOM 2239 C ASN A 143 -7.418 1.578 -11.648 1.00 0.01 C ATOM 2240 O ASN A 143 -6.304 1.631 -12.127 1.00 0.01 O ATOM 2241 CB ASN A 143 -8.361 2.520 -13.757 1.00 0.23 C ATOM 2242 CG ASN A 143 -7.473 1.722 -14.716 1.00 0.11 C ATOM 2243 OD1 ASN A 143 -7.914 0.756 -15.305 1.00 0.75 O ATOM 2244 ND2 ASN A 143 -6.234 2.087 -14.895 1.00 0.56 N ATOM 0 H ASN A 143 -10.629 1.703 -11.690 1.00 0.01 H new ATOM 0 HA ASN A 143 -8.959 0.664 -12.816 1.00 0.01 H new ATOM 0 HB2 ASN A 143 -9.287 2.806 -14.255 1.00 0.23 H new ATOM 0 HB3 ASN A 143 -7.860 3.442 -13.463 1.00 0.23 H new ATOM 0 HD21 ASN A 143 -5.634 1.561 -15.530 1.00 0.56 H new ATOM 0 HD22 ASN A 143 -5.865 2.899 -14.400 1.00 0.56 H new ATOM 2251 N TYR A 144 -7.603 1.403 -10.369 1.00 0.01 N ATOM 2252 CA TYR A 144 -6.445 1.261 -9.441 1.00 0.02 C ATOM 2253 C TYR A 144 -5.514 2.477 -9.522 1.00 0.01 C ATOM 2254 O TYR A 144 -4.322 2.340 -9.707 1.00 0.01 O ATOM 2255 CB TYR A 144 -5.666 -0.015 -9.798 1.00 0.01 C ATOM 2256 CG TYR A 144 -6.629 -1.081 -10.269 1.00 0.01 C ATOM 2257 CD1 TYR A 144 -7.763 -1.390 -9.504 1.00 0.01 C ATOM 2258 CD2 TYR A 144 -6.395 -1.763 -11.471 1.00 0.01 C ATOM 2259 CE1 TYR A 144 -8.656 -2.374 -9.939 1.00 0.01 C ATOM 2260 CE2 TYR A 144 -7.289 -2.749 -11.905 1.00 0.01 C ATOM 2261 CZ TYR A 144 -8.419 -3.054 -11.138 1.00 0.01 C ATOM 2262 OH TYR A 144 -9.301 -4.026 -11.565 1.00 0.01 O ATOM 0 H TYR A 144 -8.518 1.352 -9.922 1.00 0.01 H new ATOM 0 HA TYR A 144 -6.824 1.196 -8.421 1.00 0.02 H new ATOM 0 HB2 TYR A 144 -4.935 0.199 -10.578 1.00 0.01 H new ATOM 0 HB3 TYR A 144 -5.111 -0.370 -8.929 1.00 0.01 H new ATOM 0 HD1 TYR A 144 -7.947 -0.867 -8.577 1.00 0.01 H new ATOM 0 HD2 TYR A 144 -5.523 -1.527 -12.063 1.00 0.01 H new ATOM 0 HE1 TYR A 144 -9.529 -2.609 -9.349 1.00 0.01 H new ATOM 0 HE2 TYR A 144 -7.107 -3.274 -12.831 1.00 0.01 H new ATOM 0 HH TYR A 144 -8.990 -4.399 -12.416 1.00 0.01 H new ATOM 2272 N ARG A 145 -6.052 3.666 -9.376 1.00 0.02 N ATOM 2273 CA ARG A 145 -5.198 4.902 -9.435 1.00 0.01 C ATOM 2274 C ARG A 145 -5.398 5.729 -8.162 1.00 0.01 C ATOM 2275 O ARG A 145 -6.343 5.524 -7.425 1.00 0.01 O ATOM 2276 CB ARG A 145 -5.612 5.750 -10.642 1.00 0.01 C ATOM 2277 CG ARG A 145 -5.390 4.949 -11.926 1.00 0.02 C ATOM 2278 CD ARG A 145 -5.668 5.838 -13.140 1.00 0.01 C ATOM 2279 NE ARG A 145 -5.698 5.002 -14.372 1.00 0.01 N ATOM 2280 CZ ARG A 145 -6.209 5.480 -15.472 1.00 0.01 C ATOM 2281 NH1 ARG A 145 -6.696 6.688 -15.493 1.00 0.02 N ATOM 2282 NH2 ARG A 145 -6.232 4.749 -16.553 1.00 0.01 N ATOM 0 H ARG A 145 -7.045 3.836 -9.218 1.00 0.02 H new ATOM 0 HA ARG A 145 -4.152 4.609 -9.524 1.00 0.01 H new ATOM 0 HB2 ARG A 145 -6.660 6.037 -10.556 1.00 0.01 H new ATOM 0 HB3 ARG A 145 -5.030 6.671 -10.670 1.00 0.01 H new ATOM 0 HG2 ARG A 145 -4.366 4.577 -11.962 1.00 0.02 H new ATOM 0 HG3 ARG A 145 -6.046 4.079 -11.942 1.00 0.02 H new ATOM 0 HD2 ARG A 145 -6.620 6.355 -13.015 1.00 0.01 H new ATOM 0 HD3 ARG A 145 -4.898 6.605 -13.227 1.00 0.01 H new ATOM 0 HE ARG A 145 -5.319 4.055 -14.355 1.00 0.01 H new ATOM 0 HH11 ARG A 145 -6.678 7.260 -14.649 1.00 0.02 H new ATOM 0 HH12 ARG A 145 -7.096 7.062 -16.354 1.00 0.02 H new ATOM 0 HH21 ARG A 145 -5.850 3.803 -16.537 1.00 0.01 H new ATOM 0 HH22 ARG A 145 -6.632 5.123 -17.413 1.00 0.01 H new ATOM 2296 N GLY A 146 -4.506 6.649 -7.880 1.00 0.01 N ATOM 2297 CA GLY A 146 -4.634 7.480 -6.646 1.00 0.02 C ATOM 2298 C GLY A 146 -3.920 6.791 -5.479 1.00 0.01 C ATOM 2299 O GLY A 146 -3.138 5.880 -5.662 1.00 0.02 O ATOM 0 H GLY A 146 -3.691 6.859 -8.457 1.00 0.01 H new ATOM 0 HA2 GLY A 146 -4.204 8.467 -6.815 1.00 0.02 H new ATOM 0 HA3 GLY A 146 -5.686 7.628 -6.404 1.00 0.02 H new ATOM 2303 N ARG A 147 -4.186 7.232 -4.279 1.00 0.01 N ATOM 2304 CA ARG A 147 -3.528 6.617 -3.089 1.00 0.01 C ATOM 2305 C ARG A 147 -4.048 5.192 -2.919 1.00 0.01 C ATOM 2306 O ARG A 147 -5.207 4.896 -3.153 1.00 0.01 O ATOM 2307 CB ARG A 147 -3.868 7.443 -1.845 1.00 0.01 C ATOM 2308 CG ARG A 147 -3.282 6.764 -0.606 1.00 0.01 C ATOM 2309 CD ARG A 147 -3.338 7.730 0.581 1.00 0.01 C ATOM 2310 NE ARG A 147 -3.062 6.985 1.840 1.00 0.02 N ATOM 2311 CZ ARG A 147 -2.767 7.637 2.933 1.00 0.02 C ATOM 2312 NH1 ARG A 147 -2.717 8.941 2.923 1.00 0.01 N ATOM 2313 NH2 ARG A 147 -2.522 6.983 4.036 1.00 0.02 N ATOM 0 H ARG A 147 -4.832 7.993 -4.071 1.00 0.01 H new ATOM 0 HA ARG A 147 -2.447 6.598 -3.225 1.00 0.01 H new ATOM 0 HB2 ARG A 147 -3.467 8.452 -1.944 1.00 0.01 H new ATOM 0 HB3 ARG A 147 -4.949 7.539 -1.743 1.00 0.01 H new ATOM 0 HG2 ARG A 147 -3.841 5.857 -0.377 1.00 0.01 H new ATOM 0 HG3 ARG A 147 -2.251 6.464 -0.796 1.00 0.01 H new ATOM 0 HD2 ARG A 147 -2.606 8.527 0.450 1.00 0.01 H new ATOM 0 HD3 ARG A 147 -4.319 8.203 0.633 1.00 0.01 H new ATOM 0 HE ARG A 147 -3.103 5.966 1.849 1.00 0.02 H new ATOM 0 HH11 ARG A 147 -2.908 9.452 2.061 1.00 0.01 H new ATOM 0 HH12 ARG A 147 -2.487 9.449 3.777 1.00 0.01 H new ATOM 0 HH21 ARG A 147 -2.561 5.964 4.044 1.00 0.02 H new ATOM 0 HH22 ARG A 147 -2.292 7.491 4.890 1.00 0.02 H new ATOM 2327 N GLN A 148 -3.165 4.297 -2.541 1.00 0.01 N ATOM 2328 CA GLN A 148 -3.530 2.857 -2.376 1.00 0.01 C ATOM 2329 C GLN A 148 -3.314 2.441 -0.914 1.00 0.01 C ATOM 2330 O GLN A 148 -2.432 2.939 -0.241 1.00 0.01 O ATOM 2331 CB GLN A 148 -2.592 2.037 -3.284 1.00 0.00 C ATOM 2332 CG GLN A 148 -2.230 2.854 -4.532 1.00 0.02 C ATOM 2333 CD GLN A 148 -1.665 1.926 -5.611 1.00 0.02 C ATOM 2334 OE1 GLN A 148 -1.979 2.070 -6.776 1.00 0.02 O ATOM 2335 NE2 GLN A 148 -0.838 0.974 -5.268 1.00 0.01 N ATOM 0 H GLN A 148 -2.189 4.511 -2.337 1.00 0.01 H new ATOM 0 HA GLN A 148 -4.574 2.688 -2.642 1.00 0.01 H new ATOM 0 HB2 GLN A 148 -1.687 1.768 -2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -3.077 1.105 -3.576 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -3.113 3.370 -4.909 1.00 0.02 H new ATOM 0 HG3 GLN A 148 -1.497 3.620 -4.277 1.00 0.02 H new ATOM 0 HE21 GLN A 148 -0.575 0.854 -4.290 1.00 0.01 H new ATOM 0 HE22 GLN A 148 -0.455 0.351 -5.979 1.00 0.01 H new ATOM 2344 N TYR A 149 -4.109 1.522 -0.429 1.00 0.01 N ATOM 2345 CA TYR A 149 -3.966 1.038 0.984 1.00 0.01 C ATOM 2346 C TYR A 149 -3.918 -0.498 0.979 1.00 0.01 C ATOM 2347 O TYR A 149 -4.604 -1.133 0.207 1.00 0.01 O ATOM 2348 CB TYR A 149 -5.170 1.523 1.809 1.00 0.01 C ATOM 2349 CG TYR A 149 -4.756 1.792 3.245 1.00 0.01 C ATOM 2350 CD1 TYR A 149 -4.389 0.727 4.078 1.00 0.01 C ATOM 2351 CD2 TYR A 149 -4.739 3.103 3.739 1.00 0.01 C ATOM 2352 CE1 TYR A 149 -4.007 0.974 5.402 1.00 0.01 C ATOM 2353 CE2 TYR A 149 -4.356 3.348 5.063 1.00 0.01 C ATOM 2354 CZ TYR A 149 -3.991 2.283 5.894 1.00 0.01 C ATOM 2355 OH TYR A 149 -3.614 2.525 7.200 1.00 0.01 O ATOM 0 H TYR A 149 -4.862 1.079 -0.956 1.00 0.01 H new ATOM 0 HA TYR A 149 -3.050 1.429 1.426 1.00 0.01 H new ATOM 0 HB2 TYR A 149 -5.580 2.431 1.366 1.00 0.01 H new ATOM 0 HB3 TYR A 149 -5.960 0.772 1.786 1.00 0.01 H new ATOM 0 HD1 TYR A 149 -4.401 -0.284 3.699 1.00 0.01 H new ATOM 0 HD2 TYR A 149 -5.022 3.925 3.098 1.00 0.01 H new ATOM 0 HE1 TYR A 149 -3.724 0.153 6.044 1.00 0.01 H new ATOM 0 HE2 TYR A 149 -4.342 4.359 5.443 1.00 0.01 H new ATOM 0 HH TYR A 149 -3.200 3.411 7.262 1.00 0.01 H new ATOM 2365 N LEU A 150 -3.121 -1.095 1.829 1.00 0.01 N ATOM 2366 CA LEU A 150 -3.035 -2.593 1.863 1.00 0.01 C ATOM 2367 C LEU A 150 -3.928 -3.126 2.994 1.00 0.01 C ATOM 2368 O LEU A 150 -3.765 -2.778 4.148 1.00 0.01 O ATOM 2369 CB LEU A 150 -1.566 -2.997 2.088 1.00 0.01 C ATOM 2370 CG LEU A 150 -1.298 -4.364 1.441 1.00 0.01 C ATOM 2371 CD1 LEU A 150 0.127 -4.816 1.762 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -2.297 -5.396 1.981 1.00 0.01 C ATOM 0 H LEU A 150 -2.525 -0.613 2.502 1.00 0.01 H new ATOM 0 HA LEU A 150 -3.381 -3.019 0.921 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -0.903 -2.245 1.660 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -1.351 -3.041 3.156 1.00 0.01 H new ATOM 0 HG LEU A 150 -1.415 -4.278 0.361 1.00 0.01 H new ATOM 0 HD11 LEU A 150 0.313 -5.786 1.301 1.00 0.01 H new ATOM 0 HD12 LEU A 150 0.837 -4.087 1.372 1.00 0.01 H new ATOM 0 HD13 LEU A 150 0.248 -4.898 2.842 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -2.104 -6.365 1.520 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -2.185 -5.480 3.062 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -3.312 -5.078 1.745 1.00 0.01 H new ATOM 2384 N LEU A 151 -4.872 -3.975 2.662 1.00 0.01 N ATOM 2385 CA LEU A 151 -5.790 -4.553 3.692 1.00 0.01 C ATOM 2386 C LEU A 151 -5.409 -6.008 3.981 1.00 0.01 C ATOM 2387 O LEU A 151 -5.201 -6.795 3.078 1.00 0.01 O ATOM 2388 CB LEU A 151 -7.226 -4.511 3.165 1.00 0.01 C ATOM 2389 CG LEU A 151 -7.525 -3.122 2.590 1.00 0.01 C ATOM 2390 CD1 LEU A 151 -9.009 -3.033 2.223 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -7.185 -2.048 3.633 1.00 0.01 C ATOM 0 H LEU A 151 -5.046 -4.295 1.709 1.00 0.01 H new ATOM 0 HA LEU A 151 -5.707 -3.970 4.609 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -7.364 -5.271 2.396 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -7.925 -4.741 3.969 1.00 0.01 H new ATOM 0 HG LEU A 151 -6.920 -2.959 1.698 1.00 0.01 H new ATOM 0 HD11 LEU A 151 -9.224 -2.046 1.814 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -9.246 -3.794 1.479 1.00 0.01 H new ATOM 0 HD13 LEU A 151 -9.615 -3.196 3.114 1.00 0.01 H new ATOM 0 HD21 LEU A 151 -7.398 -1.061 3.222 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -7.787 -2.206 4.528 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -6.128 -2.113 3.891 1.00 0.01 H new ATOM 2403 N ASP A 152 -5.347 -6.377 5.234 1.00 0.01 N ATOM 2404 CA ASP A 152 -5.008 -7.788 5.602 1.00 0.01 C ATOM 2405 C ASP A 152 -6.271 -8.468 6.133 1.00 0.00 C ATOM 2406 O ASP A 152 -7.307 -7.849 6.255 1.00 0.01 O ATOM 2407 CB ASP A 152 -3.935 -7.782 6.696 1.00 1.04 C ATOM 2408 CG ASP A 152 -2.652 -7.152 6.148 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -2.756 -6.302 5.278 1.00 2.27 O ATOM 2410 OD2 ASP A 152 -1.588 -7.530 6.608 1.00 1.57 O ATOM 0 H ASP A 152 -5.518 -5.757 6.026 1.00 0.01 H new ATOM 0 HA ASP A 152 -4.632 -8.324 4.731 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -4.287 -7.222 7.562 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -3.738 -8.800 7.033 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.200 -9.731 6.454 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.409 -10.429 6.981 1.00 0.01 C ATOM 2417 C LYS A 153 -7.888 -9.690 8.233 1.00 0.01 C ATOM 2418 O LYS A 153 -7.534 -10.044 9.339 1.00 0.01 O ATOM 2419 CB LYS A 153 -7.050 -11.874 7.348 1.00 0.38 C ATOM 2420 CG LYS A 153 -6.495 -12.598 6.116 1.00 0.71 C ATOM 2421 CD LYS A 153 -5.749 -13.865 6.554 1.00 0.72 C ATOM 2422 CE LYS A 153 -5.108 -14.540 5.337 1.00 1.09 C ATOM 2423 NZ LYS A 153 -6.151 -15.286 4.580 1.00 1.84 N ATOM 0 H LYS A 153 -5.362 -10.308 6.375 1.00 0.01 H new ATOM 0 HA LYS A 153 -8.194 -10.438 6.225 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -6.312 -11.883 8.150 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -7.932 -12.394 7.721 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -7.308 -12.859 5.438 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -5.822 -11.939 5.567 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -4.982 -13.611 7.286 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -6.439 -14.554 7.041 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -4.642 -13.792 4.695 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -4.319 -15.220 5.658 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -5.765 -15.587 3.662 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -6.443 -16.123 5.124 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -6.974 -14.670 4.424 1.00 1.84 H new ATOM 2437 N LYS A 154 -8.663 -8.641 8.067 1.00 0.00 N ATOM 2438 CA LYS A 154 -9.135 -7.854 9.258 1.00 0.01 C ATOM 2439 C LYS A 154 -10.621 -7.493 9.145 1.00 0.01 C ATOM 2440 O LYS A 154 -11.231 -7.591 8.094 1.00 0.00 O ATOM 2441 CB LYS A 154 -8.309 -6.563 9.351 1.00 0.39 C ATOM 2442 CG LYS A 154 -6.891 -6.869 9.877 1.00 0.48 C ATOM 2443 CD LYS A 154 -6.879 -6.882 11.413 1.00 0.97 C ATOM 2444 CE LYS A 154 -5.441 -7.031 11.909 1.00 1.44 C ATOM 2445 NZ LYS A 154 -5.419 -6.977 13.398 1.00 2.28 N ATOM 0 H LYS A 154 -8.988 -8.296 7.164 1.00 0.00 H new ATOM 0 HA LYS A 154 -9.005 -8.466 10.150 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -8.246 -6.092 8.370 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -8.804 -5.854 10.014 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -6.556 -7.834 9.497 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -6.190 -6.120 9.508 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -7.315 -5.960 11.799 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -7.491 -7.704 11.785 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -5.022 -7.976 11.563 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -4.819 -6.236 11.497 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -4.440 -7.078 13.735 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -5.802 -6.065 13.718 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -5.999 -7.750 13.782 1.00 2.28 H new ATOM 2459 N GLU A 155 -11.182 -7.031 10.235 1.00 0.01 N ATOM 2460 CA GLU A 155 -12.611 -6.595 10.258 1.00 0.01 C ATOM 2461 C GLU A 155 -12.632 -5.080 10.480 1.00 0.01 C ATOM 2462 O GLU A 155 -12.340 -4.606 11.559 1.00 0.01 O ATOM 2463 CB GLU A 155 -13.342 -7.297 11.407 1.00 0.01 C ATOM 2464 CG GLU A 155 -12.942 -8.774 11.438 1.00 0.01 C ATOM 2465 CD GLU A 155 -13.911 -9.545 12.337 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -14.238 -9.034 13.396 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -14.308 -10.633 11.952 1.00 0.01 O ATOM 0 H GLU A 155 -10.698 -6.936 11.128 1.00 0.01 H new ATOM 0 HA GLU A 155 -13.107 -6.850 9.321 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -13.093 -6.821 12.356 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -14.420 -7.204 11.277 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -12.957 -9.187 10.430 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -11.923 -8.878 11.810 1.00 0.01 H new ATOM 2474 N TYR A 156 -12.954 -4.312 9.465 1.00 0.00 N ATOM 2475 CA TYR A 156 -12.963 -2.822 9.617 1.00 0.01 C ATOM 2476 C TYR A 156 -14.388 -2.319 9.849 1.00 0.01 C ATOM 2477 O TYR A 156 -15.249 -2.463 9.004 1.00 0.01 O ATOM 2478 CB TYR A 156 -12.385 -2.196 8.347 1.00 0.01 C ATOM 2479 CG TYR A 156 -10.965 -2.676 8.159 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -9.927 -2.106 8.908 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -10.684 -3.692 7.239 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -8.611 -2.553 8.736 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -9.368 -4.139 7.068 1.00 0.01 C ATOM 2484 CZ TYR A 156 -8.331 -3.569 7.817 1.00 0.01 C ATOM 2485 OH TYR A 156 -7.034 -4.009 7.650 1.00 0.01 O ATOM 0 H TYR A 156 -13.211 -4.653 8.539 1.00 0.00 H new ATOM 0 HA TYR A 156 -12.358 -2.539 10.478 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -12.991 -2.470 7.484 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -12.407 -1.109 8.420 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -10.142 -1.321 9.618 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -11.483 -4.132 6.660 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -7.812 -2.113 9.314 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -9.153 -4.924 6.358 1.00 0.01 H new ATOM 0 HH TYR A 156 -7.014 -4.719 6.975 1.00 0.01 H new ATOM 2495 N ARG A 157 -14.655 -1.763 11.002 1.00 0.01 N ATOM 2496 CA ARG A 157 -16.040 -1.291 11.304 1.00 0.01 C ATOM 2497 C ARG A 157 -16.216 0.185 10.945 1.00 0.00 C ATOM 2498 O ARG A 157 -17.316 0.621 10.676 1.00 0.01 O ATOM 2499 CB ARG A 157 -16.313 -1.475 12.797 1.00 0.01 C ATOM 2500 CG ARG A 157 -15.161 -0.871 13.603 1.00 0.01 C ATOM 2501 CD ARG A 157 -15.544 -0.824 15.083 1.00 0.00 C ATOM 2502 NE ARG A 157 -14.379 -0.345 15.881 1.00 0.01 N ATOM 2503 CZ ARG A 157 -14.552 0.060 17.111 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -15.743 0.042 17.643 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -13.532 0.480 17.807 1.00 0.01 N ATOM 0 H ARG A 157 -13.975 -1.615 11.747 1.00 0.01 H new ATOM 0 HA ARG A 157 -16.740 -1.876 10.707 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -17.253 -0.994 13.068 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -16.419 -2.534 13.031 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -14.258 -1.466 13.469 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -14.938 0.133 13.242 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -16.396 -0.160 15.229 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -15.849 -1.814 15.423 1.00 0.00 H new ATOM 0 HE ARG A 157 -13.447 -0.334 15.467 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -16.540 -0.288 17.099 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -15.877 0.358 18.603 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -12.601 0.492 17.391 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -13.666 0.797 18.767 1.00 0.01 H new ATOM 2519 N LYS A 158 -15.157 0.961 10.927 1.00 0.01 N ATOM 2520 CA LYS A 158 -15.280 2.416 10.569 1.00 0.01 C ATOM 2521 C LYS A 158 -14.303 2.726 9.420 1.00 0.01 C ATOM 2522 O LYS A 158 -13.288 2.075 9.289 1.00 0.01 O ATOM 2523 CB LYS A 158 -14.908 3.255 11.801 1.00 0.58 C ATOM 2524 CG LYS A 158 -16.109 3.349 12.747 1.00 0.97 C ATOM 2525 CD LYS A 158 -15.716 4.150 13.989 1.00 1.44 C ATOM 2526 CE LYS A 158 -16.973 4.530 14.773 1.00 2.13 C ATOM 2527 NZ LYS A 158 -17.839 5.403 13.929 1.00 2.54 N ATOM 0 H LYS A 158 -14.210 0.651 11.145 1.00 0.01 H new ATOM 0 HA LYS A 158 -16.298 2.650 10.257 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -14.061 2.803 12.318 1.00 0.58 H new ATOM 0 HB3 LYS A 158 -14.598 4.253 11.492 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -16.947 3.829 12.242 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -16.439 2.351 13.034 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -15.047 3.561 14.617 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -15.171 5.048 13.698 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -17.518 3.632 15.065 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -16.699 5.050 15.691 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -18.415 6.016 14.541 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -17.243 5.991 13.312 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -18.464 4.811 13.345 1.00 2.54 H new ATOM 2541 N PRO A 159 -14.569 3.726 8.605 1.00 0.01 N ATOM 2542 CA PRO A 159 -13.627 4.072 7.500 1.00 0.02 C ATOM 2543 C PRO A 159 -12.257 4.475 8.063 1.00 0.01 C ATOM 2544 O PRO A 159 -11.228 4.093 7.538 1.00 0.01 O ATOM 2545 CB PRO A 159 -14.347 5.248 6.813 1.00 0.41 C ATOM 2546 CG PRO A 159 -15.490 5.711 7.733 1.00 0.70 C ATOM 2547 CD PRO A 159 -15.792 4.572 8.718 1.00 0.28 C ATOM 0 HA PRO A 159 -13.414 3.250 6.816 1.00 0.02 H new ATOM 0 HB2 PRO A 159 -13.650 6.066 6.630 1.00 0.41 H new ATOM 0 HB3 PRO A 159 -14.739 4.940 5.844 1.00 0.41 H new ATOM 0 HG2 PRO A 159 -15.205 6.615 8.271 1.00 0.70 H new ATOM 0 HG3 PRO A 159 -16.377 5.955 7.148 1.00 0.70 H new ATOM 0 HD2 PRO A 159 -15.940 4.940 9.733 1.00 0.28 H new ATOM 0 HD3 PRO A 159 -16.693 4.024 8.443 1.00 0.28 H new ATOM 2555 N VAL A 160 -12.221 5.242 9.114 1.00 0.01 N ATOM 2556 CA VAL A 160 -10.906 5.646 9.679 1.00 0.02 C ATOM 2557 C VAL A 160 -10.148 4.391 10.114 1.00 0.02 C ATOM 2558 O VAL A 160 -8.942 4.406 10.263 1.00 0.02 O ATOM 2559 CB VAL A 160 -11.133 6.557 10.886 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -9.786 7.071 11.398 1.00 0.86 C ATOM 2561 CG2 VAL A 160 -12.004 7.746 10.468 1.00 0.74 C ATOM 0 H VAL A 160 -13.039 5.605 9.604 1.00 0.01 H new ATOM 0 HA VAL A 160 -10.325 6.183 8.929 1.00 0.02 H new ATOM 0 HB VAL A 160 -11.633 5.996 11.676 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -9.948 7.720 12.258 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -9.163 6.227 11.693 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -9.287 7.633 10.608 1.00 0.86 H new ATOM 0 HG21 VAL A 160 -12.167 8.397 11.327 1.00 0.74 H new ATOM 0 HG22 VAL A 160 -11.502 8.305 9.679 1.00 0.74 H new ATOM 0 HG23 VAL A 160 -12.964 7.383 10.100 1.00 0.74 H new ATOM 2571 N ASP A 161 -10.835 3.302 10.319 1.00 0.00 N ATOM 2572 CA ASP A 161 -10.125 2.064 10.739 1.00 0.01 C ATOM 2573 C ASP A 161 -9.195 1.593 9.612 1.00 0.01 C ATOM 2574 O ASP A 161 -8.296 0.801 9.826 1.00 0.01 O ATOM 2575 CB ASP A 161 -11.146 0.966 11.054 1.00 0.00 C ATOM 2576 CG ASP A 161 -10.489 -0.121 11.905 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -9.301 -0.009 12.160 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -11.184 -1.049 12.289 1.00 0.00 O ATOM 0 H ASP A 161 -11.846 3.216 10.215 1.00 0.00 H new ATOM 0 HA ASP A 161 -9.534 2.274 11.630 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -11.999 1.390 11.584 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -11.528 0.535 10.129 1.00 0.00 H new ATOM 2583 N TRP A 162 -9.386 2.097 8.414 1.00 0.01 N ATOM 2584 CA TRP A 162 -8.493 1.706 7.276 1.00 0.01 C ATOM 2585 C TRP A 162 -7.410 2.784 7.128 1.00 0.01 C ATOM 2586 O TRP A 162 -6.674 2.795 6.160 1.00 0.01 O ATOM 2587 CB TRP A 162 -9.299 1.643 5.950 1.00 0.01 C ATOM 2588 CG TRP A 162 -9.737 0.250 5.550 1.00 0.02 C ATOM 2589 CD1 TRP A 162 -9.192 -0.945 5.927 1.00 0.01 C ATOM 2590 CD2 TRP A 162 -10.816 -0.084 4.626 1.00 0.01 C ATOM 2591 NE1 TRP A 162 -9.887 -1.966 5.303 1.00 0.01 N ATOM 2592 CE2 TRP A 162 -10.891 -1.488 4.495 1.00 0.01 C ATOM 2593 CE3 TRP A 162 -11.734 0.699 3.904 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 -11.841 -2.094 3.672 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 -12.690 0.093 3.075 1.00 0.01 C ATOM 2596 CH2 TRP A 162 -12.743 -1.301 2.960 1.00 0.01 C ATOM 0 H TRP A 162 -10.122 2.762 8.176 1.00 0.01 H new ATOM 0 HA TRP A 162 -8.058 0.727 7.478 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -10.182 2.275 6.045 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -8.691 2.064 5.149 1.00 0.01 H new ATOM 0 HD1 TRP A 162 -8.357 -1.072 6.600 1.00 0.01 H new ATOM 0 HE1 TRP A 162 -9.679 -2.957 5.428 1.00 0.01 H new ATOM 0 HE3 TRP A 162 -11.703 1.775 3.988 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 -11.878 -3.170 3.586 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 -13.388 0.705 2.523 1.00 0.01 H new ATOM 0 HH2 TRP A 162 -13.481 -1.763 2.321 1.00 0.01 H new ATOM 2607 N GLY A 163 -7.285 3.672 8.067 1.00 0.02 N ATOM 2608 CA GLY A 163 -6.228 4.712 7.955 1.00 0.01 C ATOM 2609 C GLY A 163 -6.655 5.796 6.965 1.00 0.01 C ATOM 2610 O GLY A 163 -5.858 6.611 6.538 1.00 0.01 O ATOM 0 H GLY A 163 -7.865 3.725 8.904 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -6.040 5.156 8.933 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -5.294 4.257 7.626 1.00 0.01 H new ATOM 2614 N ALA A 164 -7.904 5.794 6.570 1.00 0.01 N ATOM 2615 CA ALA A 164 -8.388 6.803 5.577 1.00 0.02 C ATOM 2616 C ALA A 164 -9.116 7.942 6.292 1.00 0.01 C ATOM 2617 O ALA A 164 -9.841 7.738 7.245 1.00 0.02 O ATOM 2618 CB ALA A 164 -9.382 6.122 4.632 1.00 0.01 C ATOM 0 H ALA A 164 -8.612 5.135 6.894 1.00 0.01 H new ATOM 0 HA ALA A 164 -7.534 7.202 5.029 1.00 0.02 H new ATOM 0 HB1 ALA A 164 -9.744 6.846 3.902 1.00 0.01 H new ATOM 0 HB2 ALA A 164 -8.887 5.300 4.114 1.00 0.01 H new ATOM 0 HB3 ALA A 164 -10.223 5.735 5.207 1.00 0.01 H new ATOM 2624 N ALA A 165 -8.926 9.142 5.820 1.00 0.02 N ATOM 2625 CA ALA A 165 -9.597 10.315 6.443 1.00 0.01 C ATOM 2626 C ALA A 165 -11.010 10.471 5.875 1.00 0.02 C ATOM 2627 O ALA A 165 -11.793 11.259 6.369 1.00 0.01 O ATOM 2628 CB ALA A 165 -8.798 11.586 6.147 1.00 0.59 C ATOM 0 H ALA A 165 -8.329 9.362 5.022 1.00 0.02 H new ATOM 0 HA ALA A 165 -9.652 10.157 7.520 1.00 0.01 H new ATOM 0 HB1 ALA A 165 -9.293 12.442 6.605 1.00 0.59 H new ATOM 0 HB2 ALA A 165 -7.792 11.487 6.556 1.00 0.59 H new ATOM 0 HB3 ALA A 165 -8.738 11.736 5.069 1.00 0.59 H new ATOM 2634 N SER A 166 -11.359 9.723 4.855 1.00 0.01 N ATOM 2635 CA SER A 166 -12.735 9.822 4.273 1.00 0.01 C ATOM 2636 C SER A 166 -13.182 8.415 3.820 1.00 0.02 C ATOM 2637 O SER A 166 -12.353 7.608 3.447 1.00 0.01 O ATOM 2638 CB SER A 166 -12.707 10.759 3.065 1.00 0.72 C ATOM 2639 OG SER A 166 -13.795 10.445 2.206 1.00 0.87 O ATOM 0 H SER A 166 -10.747 9.046 4.399 1.00 0.01 H new ATOM 0 HA SER A 166 -13.429 10.212 5.017 1.00 0.01 H new ATOM 0 HB2 SER A 166 -12.774 11.796 3.393 1.00 0.72 H new ATOM 0 HB3 SER A 166 -11.763 10.654 2.530 1.00 0.72 H new ATOM 0 HG SER A 166 -13.783 11.044 1.430 1.00 0.87 H new ATOM 2645 N PRO A 167 -14.465 8.105 3.826 1.00 0.02 N ATOM 2646 CA PRO A 167 -14.928 6.752 3.376 1.00 0.01 C ATOM 2647 C PRO A 167 -14.895 6.598 1.848 1.00 0.01 C ATOM 2648 O PRO A 167 -15.596 5.774 1.284 1.00 0.01 O ATOM 2649 CB PRO A 167 -16.376 6.732 3.890 1.00 0.38 C ATOM 2650 CG PRO A 167 -16.813 8.194 4.074 1.00 0.35 C ATOM 2651 CD PRO A 167 -15.545 9.038 4.279 1.00 0.22 C ATOM 0 HA PRO A 167 -14.300 5.942 3.746 1.00 0.01 H new ATOM 0 HB2 PRO A 167 -17.029 6.222 3.182 1.00 0.38 H new ATOM 0 HB3 PRO A 167 -16.442 6.189 4.833 1.00 0.38 H new ATOM 0 HG2 PRO A 167 -17.366 8.541 3.201 1.00 0.35 H new ATOM 0 HG3 PRO A 167 -17.479 8.289 4.932 1.00 0.35 H new ATOM 0 HD2 PRO A 167 -15.566 9.954 3.688 1.00 0.22 H new ATOM 0 HD3 PRO A 167 -15.417 9.334 5.320 1.00 0.22 H new ATOM 2659 N ALA A 168 -14.120 7.402 1.170 1.00 0.01 N ATOM 2660 CA ALA A 168 -14.095 7.310 -0.317 1.00 0.01 C ATOM 2661 C ALA A 168 -13.160 6.194 -0.792 1.00 0.01 C ATOM 2662 O ALA A 168 -11.976 6.177 -0.523 1.00 0.02 O ATOM 2663 CB ALA A 168 -13.611 8.640 -0.896 1.00 0.18 C ATOM 0 H ALA A 168 -13.510 8.111 1.577 1.00 0.01 H new ATOM 0 HA ALA A 168 -15.105 7.085 -0.660 1.00 0.01 H new ATOM 0 HB1 ALA A 168 -13.591 8.577 -1.984 1.00 0.18 H new ATOM 0 HB2 ALA A 168 -14.288 9.438 -0.591 1.00 0.18 H new ATOM 0 HB3 ALA A 168 -12.608 8.854 -0.526 1.00 0.18 H new ATOM 2669 N ILE A 169 -13.728 5.278 -1.531 1.00 0.01 N ATOM 2670 CA ILE A 169 -12.969 4.125 -2.107 1.00 0.01 C ATOM 2671 C ILE A 169 -13.573 3.869 -3.488 1.00 0.01 C ATOM 2672 O ILE A 169 -14.773 3.720 -3.612 1.00 0.01 O ATOM 2673 CB ILE A 169 -13.155 2.864 -1.233 1.00 1.81 C ATOM 2674 CG1 ILE A 169 -12.955 3.178 0.265 1.00 2.75 C ATOM 2675 CG2 ILE A 169 -12.163 1.789 -1.667 1.00 2.24 C ATOM 2676 CD1 ILE A 169 -11.469 3.392 0.589 1.00 3.99 C ATOM 0 H ILE A 169 -14.720 5.281 -1.767 1.00 0.01 H new ATOM 0 HA ILE A 169 -11.903 4.346 -2.156 1.00 0.01 H new ATOM 0 HB ILE A 169 -14.176 2.507 -1.370 1.00 1.81 H new ATOM 0 HG12 ILE A 169 -13.521 4.070 0.532 1.00 2.75 H new ATOM 0 HG13 ILE A 169 -13.348 2.359 0.868 1.00 2.75 H new ATOM 0 HG21 ILE A 169 -12.296 0.901 -1.049 1.00 2.24 H new ATOM 0 HG22 ILE A 169 -12.337 1.534 -2.712 1.00 2.24 H new ATOM 0 HG23 ILE A 169 -11.146 2.164 -1.550 1.00 2.24 H new ATOM 0 HD11 ILE A 169 -11.356 3.612 1.651 1.00 3.99 H new ATOM 0 HD12 ILE A 169 -10.909 2.489 0.344 1.00 3.99 H new ATOM 0 HD13 ILE A 169 -11.085 4.227 0.003 1.00 3.99 H new ATOM 2688 N GLN A 170 -12.775 3.851 -4.537 1.00 0.01 N ATOM 2689 CA GLN A 170 -13.333 3.648 -5.915 1.00 0.01 C ATOM 2690 C GLN A 170 -12.942 2.296 -6.518 1.00 0.02 C ATOM 2691 O GLN A 170 -13.596 1.840 -7.434 1.00 0.01 O ATOM 2692 CB GLN A 170 -12.831 4.765 -6.832 1.00 2.62 C ATOM 2693 CG GLN A 170 -13.353 6.113 -6.331 1.00 3.39 C ATOM 2694 CD GLN A 170 -14.843 6.240 -6.653 1.00 4.36 C ATOM 2695 OE1 GLN A 170 -15.223 6.340 -7.802 1.00 4.83 O ATOM 2696 NE2 GLN A 170 -15.711 6.235 -5.678 1.00 5.17 N ATOM 0 H GLN A 170 -11.763 3.968 -4.496 1.00 0.01 H new ATOM 0 HA GLN A 170 -14.419 3.668 -5.830 1.00 0.01 H new ATOM 0 HB2 GLN A 170 -11.741 4.770 -6.853 1.00 2.62 H new ATOM 0 HB3 GLN A 170 -13.168 4.590 -7.854 1.00 2.62 H new ATOM 0 HG2 GLN A 170 -13.195 6.199 -5.256 1.00 3.39 H new ATOM 0 HG3 GLN A 170 -12.799 6.926 -6.800 1.00 3.39 H new ATOM 0 HE21 GLN A 170 -15.393 6.151 -4.712 1.00 5.17 H new ATOM 0 HE22 GLN A 170 -16.707 6.315 -5.882 1.00 5.17 H new ATOM 2705 N SER A 171 -11.915 1.624 -6.060 1.00 0.01 N ATOM 2706 CA SER A 171 -11.592 0.303 -6.699 1.00 0.01 C ATOM 2707 C SER A 171 -10.758 -0.554 -5.742 1.00 0.01 C ATOM 2708 O SER A 171 -10.147 -0.054 -4.820 1.00 0.01 O ATOM 2709 CB SER A 171 -10.798 0.543 -7.982 1.00 0.01 C ATOM 2710 OG SER A 171 -9.431 0.765 -7.658 1.00 0.02 O ATOM 0 H SER A 171 -11.303 1.916 -5.298 1.00 0.01 H new ATOM 0 HA SER A 171 -12.521 -0.219 -6.929 1.00 0.01 H new ATOM 0 HB2 SER A 171 -10.891 -0.316 -8.646 1.00 0.01 H new ATOM 0 HB3 SER A 171 -11.201 1.404 -8.516 1.00 0.01 H new ATOM 0 HG SER A 171 -9.129 1.601 -8.070 1.00 0.02 H new ATOM 2716 N PHE A 172 -10.699 -1.844 -5.983 1.00 0.01 N ATOM 2717 CA PHE A 172 -9.863 -2.726 -5.113 1.00 0.01 C ATOM 2718 C PHE A 172 -9.389 -3.951 -5.899 1.00 0.01 C ATOM 2719 O PHE A 172 -10.012 -4.370 -6.855 1.00 0.01 O ATOM 2720 CB PHE A 172 -10.625 -3.146 -3.848 1.00 1.06 C ATOM 2721 CG PHE A 172 -12.010 -3.672 -4.165 1.00 0.75 C ATOM 2722 CD1 PHE A 172 -12.164 -4.921 -4.772 1.00 0.75 C ATOM 2723 CD2 PHE A 172 -13.137 -2.922 -3.813 1.00 1.29 C ATOM 2724 CE1 PHE A 172 -13.448 -5.421 -5.033 1.00 1.16 C ATOM 2725 CE2 PHE A 172 -14.421 -3.423 -4.068 1.00 2.02 C ATOM 2726 CZ PHE A 172 -14.577 -4.670 -4.678 1.00 1.92 C ATOM 0 H PHE A 172 -11.191 -2.319 -6.740 1.00 0.01 H new ATOM 0 HA PHE A 172 -8.988 -2.159 -4.794 1.00 0.01 H new ATOM 0 HB2 PHE A 172 -10.058 -3.914 -3.322 1.00 1.06 H new ATOM 0 HB3 PHE A 172 -10.707 -2.293 -3.175 1.00 1.06 H new ATOM 0 HD1 PHE A 172 -11.294 -5.502 -5.040 1.00 0.75 H new ATOM 0 HD2 PHE A 172 -13.018 -1.956 -3.344 1.00 1.29 H new ATOM 0 HE1 PHE A 172 -13.567 -6.384 -5.507 1.00 1.16 H new ATOM 0 HE2 PHE A 172 -15.290 -2.844 -3.793 1.00 2.02 H new ATOM 0 HZ PHE A 172 -15.566 -5.055 -4.876 1.00 1.92 H new ATOM 2736 N ARG A 173 -8.269 -4.513 -5.510 1.00 0.01 N ATOM 2737 CA ARG A 173 -7.707 -5.695 -6.240 1.00 0.01 C ATOM 2738 C ARG A 173 -7.070 -6.674 -5.244 1.00 0.01 C ATOM 2739 O ARG A 173 -6.570 -6.291 -4.206 1.00 0.01 O ATOM 2740 CB ARG A 173 -6.613 -5.201 -7.214 1.00 0.01 C ATOM 2741 CG ARG A 173 -7.235 -4.672 -8.534 1.00 0.01 C ATOM 2742 CD ARG A 173 -7.124 -5.728 -9.643 1.00 0.01 C ATOM 2743 NE ARG A 173 -5.769 -5.658 -10.259 1.00 0.01 N ATOM 2744 CZ ARG A 173 -5.342 -6.637 -11.013 1.00 0.01 C ATOM 2745 NH1 ARG A 173 -6.099 -7.680 -11.219 1.00 0.01 N ATOM 2746 NH2 ARG A 173 -4.157 -6.571 -11.556 1.00 0.01 N ATOM 0 H ARG A 173 -7.716 -4.201 -4.712 1.00 0.01 H new ATOM 0 HA ARG A 173 -8.508 -6.199 -6.782 1.00 0.01 H new ATOM 0 HB2 ARG A 173 -6.031 -4.410 -6.741 1.00 0.01 H new ATOM 0 HB3 ARG A 173 -5.924 -6.016 -7.435 1.00 0.01 H new ATOM 0 HG2 ARG A 173 -8.282 -4.415 -8.372 1.00 0.01 H new ATOM 0 HG3 ARG A 173 -6.727 -3.758 -8.842 1.00 0.01 H new ATOM 0 HD2 ARG A 173 -7.298 -6.723 -9.232 1.00 0.01 H new ATOM 0 HD3 ARG A 173 -7.889 -5.558 -10.400 1.00 0.01 H new ATOM 0 HE ARG A 173 -5.174 -4.846 -10.092 1.00 0.01 H new ATOM 0 HH11 ARG A 173 -7.024 -7.731 -10.792 1.00 0.01 H new ATOM 0 HH12 ARG A 173 -5.766 -8.444 -11.807 1.00 0.01 H new ATOM 0 HH21 ARG A 173 -3.565 -5.756 -11.392 1.00 0.01 H new ATOM 0 HH22 ARG A 173 -3.822 -7.334 -12.144 1.00 0.01 H new ATOM 2760 N ARG A 174 -7.084 -7.940 -5.570 1.00 0.01 N ATOM 2761 CA ARG A 174 -6.476 -8.964 -4.668 1.00 0.01 C ATOM 2762 C ARG A 174 -4.986 -9.112 -5.000 1.00 0.01 C ATOM 2763 O ARG A 174 -4.590 -9.066 -6.149 1.00 0.01 O ATOM 2764 CB ARG A 174 -7.173 -10.311 -4.878 1.00 0.01 C ATOM 2765 CG ARG A 174 -7.332 -10.580 -6.375 1.00 0.01 C ATOM 2766 CD ARG A 174 -7.751 -12.036 -6.592 1.00 0.01 C ATOM 2767 NE ARG A 174 -7.939 -12.289 -8.047 1.00 0.01 N ATOM 2768 CZ ARG A 174 -7.998 -13.513 -8.495 1.00 0.01 C ATOM 2769 NH1 ARG A 174 -7.889 -14.516 -7.669 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -8.168 -13.730 -9.771 1.00 0.01 N ATOM 0 H ARG A 174 -7.493 -8.311 -6.428 1.00 0.01 H new ATOM 0 HA ARG A 174 -6.594 -8.649 -3.631 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -6.592 -11.108 -4.415 1.00 0.01 H new ATOM 0 HB3 ARG A 174 -8.149 -10.306 -4.394 1.00 0.01 H new ATOM 0 HG2 ARG A 174 -8.079 -9.909 -6.798 1.00 0.01 H new ATOM 0 HG3 ARG A 174 -6.394 -10.380 -6.893 1.00 0.01 H new ATOM 0 HD2 ARG A 174 -6.992 -12.707 -6.191 1.00 0.01 H new ATOM 0 HD3 ARG A 174 -8.676 -12.243 -6.054 1.00 0.01 H new ATOM 0 HE ARG A 174 -8.022 -11.505 -8.694 1.00 0.01 H new ATOM 0 HH11 ARG A 174 -7.758 -14.344 -6.672 1.00 0.01 H new ATOM 0 HH12 ARG A 174 -7.935 -15.473 -8.020 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -8.254 -12.944 -10.415 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -8.214 -14.686 -10.124 1.00 0.01 H new ATOM 2784 N ILE A 175 -4.157 -9.307 -4.008 1.00 0.01 N ATOM 2785 CA ILE A 175 -2.695 -9.478 -4.285 1.00 0.01 C ATOM 2786 C ILE A 175 -2.387 -10.969 -4.435 1.00 0.00 C ATOM 2787 O ILE A 175 -2.734 -11.764 -3.583 1.00 0.01 O ATOM 2788 CB ILE A 175 -1.846 -8.918 -3.137 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -2.328 -7.517 -2.757 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -0.384 -8.844 -3.585 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -1.393 -6.933 -1.687 1.00 3.04 C ATOM 0 H ILE A 175 -4.424 -9.355 -3.025 1.00 0.01 H new ATOM 0 HA ILE A 175 -2.453 -8.936 -5.199 1.00 0.01 H new ATOM 0 HB ILE A 175 -1.940 -9.573 -2.271 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -2.341 -6.873 -3.636 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -3.350 -7.561 -2.379 1.00 2.51 H new ATOM 0 HG21 ILE A 175 0.226 -8.447 -2.773 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -0.033 -9.842 -3.847 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -0.302 -8.191 -4.454 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.733 -5.934 -1.413 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -1.403 -7.574 -0.806 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -0.379 -6.876 -2.082 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.740 -11.359 -5.505 1.00 0.01 N ATOM 2804 CA VAL A 176 -1.409 -12.806 -5.708 1.00 0.00 C ATOM 2805 C VAL A 176 0.035 -12.937 -6.202 1.00 0.01 C ATOM 2806 O VAL A 176 0.535 -12.095 -6.924 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.344 -13.404 -6.759 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -2.160 -12.663 -8.084 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -2.010 -14.886 -6.950 1.00 1.89 C ATOM 0 H VAL A 176 -1.425 -10.737 -6.250 1.00 0.01 H new ATOM 0 HA VAL A 176 -1.528 -13.335 -4.762 1.00 0.00 H new ATOM 0 HB VAL A 176 -3.378 -13.304 -6.429 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -2.826 -13.089 -8.834 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -2.395 -11.608 -7.946 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -1.127 -12.764 -8.417 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -2.675 -15.315 -7.699 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -0.977 -14.986 -7.282 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -2.140 -15.413 -6.005 1.00 1.89 H new ATOM 2819 N GLU A 177 0.710 -13.986 -5.818 1.00 0.01 N ATOM 2820 CA GLU A 177 2.119 -14.181 -6.260 1.00 0.01 C ATOM 2821 C GLU A 177 2.190 -14.092 -7.786 1.00 0.01 C ATOM 2822 CB GLU A 177 2.612 -15.555 -5.807 1.00 2.15 C ATOM 2823 CG GLU A 177 2.842 -15.540 -4.296 1.00 3.19 C ATOM 2824 CD GLU A 177 3.118 -16.961 -3.805 1.00 4.20 C ATOM 2825 OE1 GLU A 177 2.912 -17.884 -4.574 1.00 4.89 O ATOM 2826 OE2 GLU A 177 3.534 -17.104 -2.669 1.00 4.77 O ATOM 0 H GLU A 177 0.343 -14.721 -5.213 1.00 0.01 H new ATOM 0 HA GLU A 177 2.748 -13.407 -5.820 1.00 0.01 H new ATOM 0 HB2 GLU A 177 1.880 -16.320 -6.067 1.00 2.15 H new ATOM 0 HB3 GLU A 177 3.537 -15.810 -6.324 1.00 2.15 H new ATOM 0 HG2 GLU A 177 3.683 -14.891 -4.052 1.00 3.19 H new ATOM 0 HG3 GLU A 177 1.967 -15.133 -3.789 1.00 3.19 H new