USER MOD reduce.3.24.130724 H: found=0, std=0, add=1326, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1324 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 139 TYR OH : rot -85:sc= 0.749 USER MOD Set 1.2: A 148 GLN : amide:sc= -5.78! C(o=-5!,f=-13!) USER MOD Set 2.1: A 114 CYS SG : rot 102:sc= -0.791 USER MOD Set 2.2: A 120 GLN : amide:sc= -0.348 K(o=-1.1,f=-6!) USER MOD Set 3.1: A 69 TYR OH : rot 69:sc= 0.329 USER MOD Set 3.2: A 70 GLN : amide:sc= -0.533 K(o=-0.2,f=0.8) USER MOD Set 4.1: A 57 HIS : no HD1:sc= -9.61! C(o=-8.5!,f=-17!) USER MOD Set 4.2: A 59 TYR OH : rot 124:sc= 1.07 USER MOD Set 5.1: A 20 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 22 CYS SG : rot -99:sc= 0.581 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -54:sc= -1.98! USER MOD Single : A 10 TYR OH : rot 166:sc= -0.384 USER MOD Single : A 14 ASN : amide:sc= -2.32! K(o=-2.3!,f=-0.22) USER MOD Single : A 16 GLN : amide:sc= -0.586 K(o=-0.59,f=-0.048) USER MOD Single : A 24 CYS SG : rot 15:sc= -0.0202 USER MOD Single : A 26 CYS SG : rot 180:sc= -1.29 USER MOD Single : A 31 SER OG : rot 70:sc= 0.166! USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -23:sc= 0.33 USER MOD Single : A 36 CYS SG : rot -157:sc= -3.11! USER MOD Single : A 37 ASN : amide:sc= -3.4! C(o=-3.4!,f=-9.2!) USER MOD Single : A 38 SER OG : rot 54:sc= 1.11 USER MOD Single : A 45 THR OG1 : rot 56:sc= -0.0173 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.01 K(o=-1,f=-0.49) USER MOD Single : A 55 SER OG : rot -88:sc= 0.476 USER MOD Single : A 58 MET CE :methyl 159:sc= -0.0727 (180deg=-1.32) USER MOD Single : A 63 GLN : amide:sc= -6.03! C(o=-6!,f=-13!) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0908 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.876 K(o=-0.88,f=-6.1!) USER MOD Single : A 81 SER OG : rot -110:sc= -0.0173 USER MOD Single : A 82 CYS SG : rot -174:sc= -0.565 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot -16:sc= 1.09 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0493 K(o=-0.049,f=-1) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.888 X(o=-0.89,f=-1.1) USER MOD Single : A 100 LYS NZ :NH3+ 159:sc= -0.198 (180deg=-1.22) USER MOD Single : A 104 ASN : amide:sc= -0.921 K(o=-0.92,f=-0.11) USER MOD Single : A 106 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.29) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 173:sc= -0.35 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -120:sc= -1.49 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.72 X(o=-0.72,f=-0.35) USER MOD Single : A 127 HIS : no HE2:sc= 0.347 K(o=0.35,f=-2.6!) USER MOD Single : A 128 SER OG : rot -77:sc= 0.68 USER MOD Single : A 129 CYS SG : rot 52:sc= -0.899! USER MOD Single : A 130 LYS NZ :NH3+ -161:sc= -0.109 (180deg=-0.827) USER MOD Single : A 143 ASN : amide:sc= -1.76! K(o=-1.8!,f=-1.1) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 156:sc= -0.177 (180deg=-0.981) USER MOD Single : A 154 LYS NZ :NH3+ 157:sc= -0.0859 (180deg=-0.641) USER MOD Single : A 156 TYR OH : rot 180:sc= 0.49 USER MOD Single : A 158 LYS NZ :NH3+ -160:sc= -0.21 (180deg=-1.06) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -0.784 K(o=-0.78,f=-0.12) USER MOD Single : A 171 SER OG : rot -105:sc=-0.000236 USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 4 -15.683 -12.506 1.209 1.00 0.52 N ATOM 51 CA GLY A 4 -16.067 -11.889 2.515 1.00 0.30 C ATOM 52 C GLY A 4 -14.767 -11.634 3.279 1.00 0.41 C ATOM 53 O GLY A 4 -14.276 -12.474 4.006 1.00 0.81 O ATOM 0 HA2 GLY A 4 -16.613 -10.959 2.358 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -16.723 -12.552 3.078 1.00 0.30 H new ATOM 57 N GLY A 5 -14.203 -10.470 3.090 1.00 0.01 N ATOM 58 CA GLY A 5 -12.923 -10.137 3.772 1.00 0.01 C ATOM 59 C GLY A 5 -13.173 -9.760 5.233 1.00 0.01 C ATOM 60 O GLY A 5 -14.189 -9.191 5.579 1.00 0.01 O ATOM 0 H GLY A 5 -14.577 -9.735 2.490 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -12.246 -10.989 3.722 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -12.434 -9.311 3.256 1.00 0.01 H new ATOM 64 N LYS A 6 -12.239 -10.070 6.088 1.00 0.00 N ATOM 65 CA LYS A 6 -12.382 -9.737 7.533 1.00 0.01 C ATOM 66 C LYS A 6 -10.989 -9.605 8.147 1.00 0.01 C ATOM 67 O LYS A 6 -10.098 -10.394 7.866 1.00 0.00 O ATOM 68 CB LYS A 6 -13.175 -10.831 8.257 1.00 0.02 C ATOM 69 CG LYS A 6 -13.324 -10.460 9.738 1.00 0.02 C ATOM 70 CD LYS A 6 -14.216 -11.489 10.457 1.00 0.02 C ATOM 71 CE LYS A 6 -15.699 -11.149 10.248 1.00 0.02 C ATOM 72 NZ LYS A 6 -16.536 -12.040 11.101 1.00 0.02 N ATOM 0 H LYS A 6 -11.371 -10.546 5.844 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.924 -8.797 7.639 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -14.158 -10.946 7.799 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.664 -11.789 8.161 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -12.343 -10.424 10.212 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -13.759 -9.465 9.829 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -14.008 -12.489 10.076 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -13.985 -11.499 11.522 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -15.884 -10.105 10.502 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -15.968 -11.274 9.199 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -17.541 -11.811 10.961 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -16.367 -13.032 10.838 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -16.285 -11.900 12.100 1.00 0.02 H new ATOM 86 N ILE A 7 -10.808 -8.616 8.992 1.00 0.02 N ATOM 87 CA ILE A 7 -9.487 -8.395 9.659 1.00 0.00 C ATOM 88 C ILE A 7 -9.703 -8.234 11.168 1.00 0.02 C ATOM 89 O ILE A 7 -10.657 -7.617 11.606 1.00 0.01 O ATOM 90 CB ILE A 7 -8.817 -7.158 9.057 1.00 0.02 C ATOM 91 CG1 ILE A 7 -7.586 -6.777 9.884 1.00 0.02 C ATOM 92 CG2 ILE A 7 -9.803 -5.992 9.042 1.00 0.01 C ATOM 93 CD1 ILE A 7 -6.744 -5.757 9.107 1.00 0.02 C ATOM 0 H ILE A 7 -11.531 -7.944 9.250 1.00 0.02 H new ATOM 0 HA ILE A 7 -8.832 -9.251 9.497 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.508 -7.383 8.036 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -7.894 -6.357 10.841 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -6.992 -7.665 10.102 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -9.321 -5.114 8.613 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -10.673 -6.259 8.442 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -10.120 -5.770 10.061 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -5.867 -5.485 9.695 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -6.425 -6.194 8.161 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -7.341 -4.866 8.912 1.00 0.02 H new ATOM 105 N SER A 8 -8.816 -8.784 11.966 1.00 0.02 N ATOM 106 CA SER A 8 -8.942 -8.674 13.458 1.00 0.02 C ATOM 107 C SER A 8 -7.687 -8.007 14.034 1.00 0.01 C ATOM 108 O SER A 8 -6.573 -8.400 13.752 1.00 0.02 O ATOM 109 CB SER A 8 -9.117 -10.073 14.067 1.00 0.30 C ATOM 110 OG SER A 8 -10.505 -10.368 14.166 1.00 0.39 O ATOM 0 H SER A 8 -8.003 -9.309 11.645 1.00 0.02 H new ATOM 0 HA SER A 8 -9.813 -8.067 13.703 1.00 0.02 H new ATOM 0 HB2 SER A 8 -8.618 -10.818 13.447 1.00 0.30 H new ATOM 0 HB3 SER A 8 -8.653 -10.115 15.052 1.00 0.30 H new ATOM 0 HG SER A 8 -10.958 -9.649 14.655 1.00 0.39 H new ATOM 116 N PHE A 9 -7.875 -7.005 14.859 1.00 0.02 N ATOM 117 CA PHE A 9 -6.723 -6.295 15.497 1.00 0.01 C ATOM 118 C PHE A 9 -6.702 -6.630 16.996 1.00 0.01 C ATOM 119 O PHE A 9 -7.737 -6.692 17.628 1.00 0.02 O ATOM 120 CB PHE A 9 -6.911 -4.784 15.336 1.00 0.02 C ATOM 121 CG PHE A 9 -7.246 -4.440 13.903 1.00 0.01 C ATOM 122 CD1 PHE A 9 -8.548 -4.626 13.425 1.00 0.01 C ATOM 123 CD2 PHE A 9 -6.259 -3.917 13.060 1.00 0.01 C ATOM 124 CE1 PHE A 9 -8.864 -4.288 12.104 1.00 0.02 C ATOM 125 CE2 PHE A 9 -6.573 -3.583 11.738 1.00 0.02 C ATOM 126 CZ PHE A 9 -7.876 -3.768 11.260 1.00 0.02 C ATOM 0 H PHE A 9 -8.792 -6.644 15.121 1.00 0.02 H new ATOM 0 HA PHE A 9 -5.791 -6.607 15.026 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -7.708 -4.439 15.995 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -6.001 -4.265 15.637 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -9.309 -5.030 14.076 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -5.255 -3.771 13.430 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -9.870 -4.428 11.736 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -5.810 -3.183 11.086 1.00 0.02 H new ATOM 0 HZ PHE A 9 -8.119 -3.509 10.240 1.00 0.02 H new ATOM 136 N TYR A 10 -5.538 -6.858 17.570 1.00 0.02 N ATOM 137 CA TYR A 10 -5.457 -7.204 19.035 1.00 0.01 C ATOM 138 C TYR A 10 -4.551 -6.204 19.767 1.00 0.02 C ATOM 139 O TYR A 10 -3.531 -5.781 19.254 1.00 0.01 O ATOM 140 CB TYR A 10 -4.873 -8.611 19.191 1.00 0.02 C ATOM 141 CG TYR A 10 -5.509 -9.545 18.185 1.00 0.02 C ATOM 142 CD1 TYR A 10 -5.165 -9.453 16.832 1.00 0.02 C ATOM 143 CD2 TYR A 10 -6.434 -10.510 18.607 1.00 0.00 C ATOM 144 CE1 TYR A 10 -5.745 -10.321 15.900 1.00 0.02 C ATOM 145 CE2 TYR A 10 -7.014 -11.378 17.674 1.00 0.02 C ATOM 146 CZ TYR A 10 -6.669 -11.283 16.320 1.00 0.00 C ATOM 147 OH TYR A 10 -7.240 -12.139 15.400 1.00 0.02 O ATOM 0 H TYR A 10 -4.640 -6.820 17.088 1.00 0.02 H new ATOM 0 HA TYR A 10 -6.458 -7.163 19.464 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -3.793 -8.585 19.044 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -5.048 -8.977 20.202 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -4.451 -8.711 16.506 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -6.699 -10.584 19.651 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.479 -10.248 14.856 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -7.728 -12.121 17.999 1.00 0.02 H new ATOM 0 HH TYR A 10 -7.678 -12.879 15.870 1.00 0.02 H new ATOM 157 N GLU A 11 -4.931 -5.793 20.953 1.00 0.00 N ATOM 158 CA GLU A 11 -4.112 -4.792 21.695 1.00 0.02 C ATOM 159 C GLU A 11 -2.780 -5.380 22.170 1.00 0.03 C ATOM 160 O GLU A 11 -1.817 -4.655 22.321 1.00 0.03 O ATOM 161 CB GLU A 11 -4.894 -4.309 22.925 1.00 0.00 C ATOM 162 CG GLU A 11 -6.003 -3.346 22.495 1.00 0.00 C ATOM 163 CD GLU A 11 -5.411 -1.961 22.227 1.00 0.02 C ATOM 164 OE1 GLU A 11 -4.205 -1.873 22.079 1.00 0.01 O ATOM 165 OE2 GLU A 11 -6.175 -1.010 22.181 1.00 0.02 O ATOM 0 H GLU A 11 -5.772 -6.109 21.436 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.902 -3.968 21.013 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -5.325 -5.162 23.450 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.220 -3.812 23.623 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.495 -3.721 21.598 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.764 -3.282 23.273 1.00 0.00 H new ATOM 172 N ASP A 12 -2.701 -6.667 22.422 1.00 0.02 N ATOM 173 CA ASP A 12 -1.409 -7.260 22.903 1.00 0.01 C ATOM 174 C ASP A 12 -0.848 -8.234 21.868 1.00 0.02 C ATOM 175 O ASP A 12 -1.485 -8.577 20.892 1.00 0.02 O ATOM 176 CB ASP A 12 -1.643 -8.015 24.213 1.00 0.01 C ATOM 177 CG ASP A 12 -2.358 -7.101 25.211 1.00 0.01 C ATOM 178 OD1 ASP A 12 -2.568 -5.946 24.881 1.00 0.03 O ATOM 179 OD2 ASP A 12 -2.683 -7.574 26.287 1.00 0.02 O ATOM 0 H ASP A 12 -3.470 -7.329 22.316 1.00 0.02 H new ATOM 0 HA ASP A 12 -0.697 -6.450 23.059 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -2.241 -8.907 24.028 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -0.692 -8.349 24.627 1.00 0.01 H new ATOM 184 N ARG A 13 0.359 -8.666 22.091 1.00 0.02 N ATOM 185 CA ARG A 13 1.032 -9.609 21.155 1.00 0.02 C ATOM 186 C ARG A 13 0.429 -11.010 21.285 1.00 0.00 C ATOM 187 O ARG A 13 -0.121 -11.377 22.303 1.00 0.02 O ATOM 188 CB ARG A 13 2.511 -9.672 21.536 1.00 0.00 C ATOM 189 CG ARG A 13 3.144 -8.292 21.352 1.00 0.01 C ATOM 190 CD ARG A 13 4.648 -8.384 21.608 1.00 0.02 C ATOM 191 NE ARG A 13 4.890 -8.620 23.058 1.00 0.03 N ATOM 192 CZ ARG A 13 6.058 -9.032 23.465 1.00 0.02 C ATOM 193 NH1 ARG A 13 7.019 -9.233 22.604 1.00 0.02 N ATOM 194 NH2 ARG A 13 6.268 -9.246 24.735 1.00 0.02 N ATOM 0 H ARG A 13 0.920 -8.400 22.900 1.00 0.02 H new ATOM 0 HA ARG A 13 0.902 -9.264 20.129 1.00 0.02 H new ATOM 0 HB2 ARG A 13 2.617 -9.998 22.571 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.026 -10.406 20.916 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.958 -7.926 20.342 1.00 0.01 H new ATOM 0 HG3 ARG A 13 2.690 -7.577 22.039 1.00 0.01 H new ATOM 0 HD2 ARG A 13 5.079 -9.194 21.020 1.00 0.02 H new ATOM 0 HD3 ARG A 13 5.139 -7.464 21.291 1.00 0.02 H new ATOM 0 HE ARG A 13 4.142 -8.459 23.733 1.00 0.03 H new ATOM 0 HH11 ARG A 13 6.857 -9.068 21.611 1.00 0.02 H new ATOM 0 HH12 ARG A 13 7.932 -9.555 22.925 1.00 0.02 H new ATOM 0 HH21 ARG A 13 5.518 -9.091 25.409 1.00 0.02 H new ATOM 0 HH22 ARG A 13 7.182 -9.568 25.054 1.00 0.02 H new ATOM 208 N ASN A 14 0.560 -11.797 20.244 1.00 0.02 N ATOM 209 CA ASN A 14 0.038 -13.198 20.255 1.00 0.02 C ATOM 210 C ASN A 14 -1.492 -13.228 20.364 1.00 0.02 C ATOM 211 O ASN A 14 -2.075 -14.119 20.949 1.00 0.02 O ATOM 212 CB ASN A 14 0.680 -13.962 21.419 1.00 0.26 C ATOM 213 CG ASN A 14 0.538 -15.469 21.187 1.00 0.12 C ATOM 214 OD1 ASN A 14 1.070 -16.263 21.938 1.00 0.74 O ATOM 215 ND2 ASN A 14 -0.161 -15.900 20.172 1.00 0.46 N ATOM 0 H ASN A 14 1.014 -11.522 19.373 1.00 0.02 H new ATOM 0 HA ASN A 14 0.301 -13.678 19.312 1.00 0.02 H new ATOM 0 HB2 ASN A 14 1.733 -13.695 21.505 1.00 0.26 H new ATOM 0 HB3 ASN A 14 0.202 -13.682 22.358 1.00 0.26 H new ATOM 0 HD21 ASN A 14 -0.260 -16.902 20.010 1.00 0.46 H new ATOM 0 HD22 ASN A 14 -0.608 -15.235 19.541 1.00 0.46 H new ATOM 222 N PHE A 15 -2.132 -12.264 19.759 1.00 0.02 N ATOM 223 CA PHE A 15 -3.627 -12.207 19.755 1.00 0.02 C ATOM 224 C PHE A 15 -4.189 -12.228 21.179 1.00 0.00 C ATOM 225 O PHE A 15 -5.172 -12.886 21.461 1.00 0.02 O ATOM 226 CB PHE A 15 -4.180 -13.411 18.966 1.00 0.02 C ATOM 227 CG PHE A 15 -3.196 -13.811 17.888 1.00 0.02 C ATOM 228 CD1 PHE A 15 -3.031 -13.004 16.756 1.00 0.02 C ATOM 229 CD2 PHE A 15 -2.448 -14.987 18.023 1.00 0.02 C ATOM 230 CE1 PHE A 15 -2.119 -13.374 15.760 1.00 0.02 C ATOM 231 CE2 PHE A 15 -1.537 -15.356 17.029 1.00 0.02 C ATOM 232 CZ PHE A 15 -1.372 -14.550 15.898 1.00 0.02 C ATOM 0 H PHE A 15 -1.677 -11.500 19.259 1.00 0.02 H new ATOM 0 HA PHE A 15 -3.934 -11.274 19.283 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -4.356 -14.249 19.640 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -5.140 -13.154 18.518 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -3.607 -12.096 16.651 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -2.575 -15.610 18.896 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -1.992 -12.753 14.886 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -0.961 -16.263 17.134 1.00 0.02 H new ATOM 0 HZ PHE A 15 -0.668 -14.835 15.130 1.00 0.02 H new ATOM 242 N GLN A 16 -3.579 -11.493 22.070 1.00 0.02 N ATOM 243 CA GLN A 16 -4.067 -11.427 23.482 1.00 0.02 C ATOM 244 C GLN A 16 -4.592 -10.012 23.741 1.00 0.02 C ATOM 245 O GLN A 16 -4.338 -9.100 22.977 1.00 0.02 O ATOM 246 CB GLN A 16 -2.901 -11.714 24.434 1.00 0.02 C ATOM 247 CG GLN A 16 -2.626 -13.219 24.469 1.00 0.00 C ATOM 248 CD GLN A 16 -1.290 -13.474 25.170 1.00 0.00 C ATOM 249 OE1 GLN A 16 -1.165 -14.402 25.944 1.00 0.02 O ATOM 250 NE2 GLN A 16 -0.279 -12.685 24.929 1.00 0.02 N ATOM 0 H GLN A 16 -2.752 -10.927 21.878 1.00 0.02 H new ATOM 0 HA GLN A 16 -4.856 -12.161 23.645 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -2.010 -11.179 24.106 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -3.138 -11.354 25.435 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -3.430 -13.735 24.995 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.600 -13.619 23.455 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.384 -11.906 24.279 1.00 0.02 H new ATOM 0 HE22 GLN A 16 0.616 -12.847 25.390 1.00 0.02 H new ATOM 259 N GLY A 17 -5.325 -9.812 24.803 1.00 0.03 N ATOM 260 CA GLY A 17 -5.853 -8.444 25.093 1.00 0.03 C ATOM 261 C GLY A 17 -7.198 -8.228 24.391 1.00 0.02 C ATOM 262 O GLY A 17 -7.811 -9.155 23.900 1.00 0.02 O ATOM 0 H GLY A 17 -5.581 -10.531 25.480 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -5.973 -8.314 26.169 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -5.137 -7.693 24.759 1.00 0.03 H new ATOM 266 N ARG A 18 -7.651 -7.005 24.331 1.00 0.00 N ATOM 267 CA ARG A 18 -8.947 -6.711 23.655 1.00 0.02 C ATOM 268 C ARG A 18 -8.791 -6.924 22.148 1.00 0.02 C ATOM 269 O ARG A 18 -7.759 -6.641 21.568 1.00 0.02 O ATOM 270 CB ARG A 18 -9.344 -5.259 23.931 1.00 0.79 C ATOM 271 CG ARG A 18 -10.741 -4.996 23.362 1.00 1.49 C ATOM 272 CD ARG A 18 -11.284 -3.683 23.926 1.00 1.42 C ATOM 273 NE ARG A 18 -10.366 -2.567 23.561 1.00 2.07 N ATOM 274 CZ ARG A 18 -10.768 -1.330 23.675 1.00 2.35 C ATOM 275 NH1 ARG A 18 -11.975 -1.073 24.095 1.00 2.53 N ATOM 276 NH2 ARG A 18 -9.963 -0.350 23.366 1.00 2.76 N ATOM 0 H ARG A 18 -7.176 -6.192 24.724 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.721 -7.377 24.037 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -9.334 -5.065 25.004 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -8.621 -4.581 23.478 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -10.698 -4.946 22.274 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -11.410 -5.818 23.618 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -12.282 -3.491 23.532 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -11.377 -3.752 25.010 1.00 1.42 H new ATOM 0 HE ARG A 18 -9.425 -2.769 23.223 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -12.605 -1.838 24.335 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -12.289 -0.107 24.184 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -9.019 -0.550 23.035 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -10.278 0.616 23.455 1.00 2.76 H new ATOM 290 N ARG A 19 -9.812 -7.450 21.519 1.00 0.02 N ATOM 291 CA ARG A 19 -9.759 -7.727 20.050 1.00 0.02 C ATOM 292 C ARG A 19 -10.845 -6.923 19.333 1.00 0.02 C ATOM 293 O ARG A 19 -11.910 -6.680 19.865 1.00 0.02 O ATOM 294 CB ARG A 19 -10.026 -9.221 19.839 1.00 0.85 C ATOM 295 CG ARG A 19 -9.871 -9.594 18.362 1.00 1.31 C ATOM 296 CD ARG A 19 -10.390 -11.018 18.153 1.00 1.34 C ATOM 297 NE ARG A 19 -10.168 -11.430 16.740 1.00 1.50 N ATOM 298 CZ ARG A 19 -10.225 -12.692 16.413 1.00 1.63 C ATOM 299 NH1 ARG A 19 -10.466 -13.595 17.325 1.00 1.72 N ATOM 300 NH2 ARG A 19 -10.040 -13.050 15.172 1.00 1.89 N ATOM 0 H ARG A 19 -10.693 -7.703 21.967 1.00 0.02 H new ATOM 0 HA ARG A 19 -8.784 -7.447 19.652 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -9.334 -9.808 20.442 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -11.032 -9.467 20.178 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -10.426 -8.895 17.737 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -8.825 -9.527 18.064 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -9.878 -11.705 18.827 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -11.452 -11.068 18.394 1.00 1.34 H new ATOM 0 HE ARG A 19 -9.972 -10.727 16.028 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -10.610 -13.314 18.295 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -10.510 -14.581 17.067 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -9.851 -12.344 14.460 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -10.084 -14.036 14.914 1.00 1.89 H new ATOM 314 N TYR A 20 -10.581 -6.528 18.113 1.00 0.02 N ATOM 315 CA TYR A 20 -11.584 -5.757 17.315 1.00 0.02 C ATOM 316 C TYR A 20 -11.666 -6.380 15.920 1.00 0.02 C ATOM 317 O TYR A 20 -10.667 -6.555 15.255 1.00 0.02 O ATOM 318 CB TYR A 20 -11.143 -4.292 17.209 1.00 0.02 C ATOM 319 CG TYR A 20 -12.015 -3.564 16.206 1.00 0.01 C ATOM 320 CD1 TYR A 20 -13.396 -3.472 16.419 1.00 0.02 C ATOM 321 CD2 TYR A 20 -11.445 -2.986 15.062 1.00 0.01 C ATOM 322 CE1 TYR A 20 -14.205 -2.802 15.493 1.00 0.02 C ATOM 323 CE2 TYR A 20 -12.254 -2.317 14.138 1.00 0.02 C ATOM 324 CZ TYR A 20 -13.633 -2.224 14.353 1.00 0.02 C ATOM 325 OH TYR A 20 -14.430 -1.563 13.441 1.00 0.01 O ATOM 0 H TYR A 20 -9.701 -6.709 17.629 1.00 0.02 H new ATOM 0 HA TYR A 20 -12.561 -5.792 17.798 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -11.214 -3.810 18.184 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -10.098 -4.239 16.903 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -13.837 -3.918 17.298 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -10.380 -3.058 14.895 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -15.270 -2.731 15.658 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -11.814 -1.872 13.258 1.00 0.02 H new ATOM 0 HH TYR A 20 -13.875 -1.221 12.709 1.00 0.01 H new ATOM 335 N ASP A 21 -12.849 -6.729 15.480 1.00 0.01 N ATOM 336 CA ASP A 21 -13.019 -7.362 14.133 1.00 0.02 C ATOM 337 C ASP A 21 -13.760 -6.403 13.205 1.00 0.00 C ATOM 338 O ASP A 21 -14.724 -5.770 13.589 1.00 0.01 O ATOM 339 CB ASP A 21 -13.836 -8.646 14.293 1.00 0.12 C ATOM 340 CG ASP A 21 -12.962 -9.732 14.925 1.00 0.41 C ATOM 341 OD1 ASP A 21 -12.098 -9.387 15.713 1.00 0.56 O ATOM 342 OD2 ASP A 21 -13.174 -10.892 14.609 1.00 1.12 O ATOM 0 H ASP A 21 -13.716 -6.601 16.002 1.00 0.01 H new ATOM 0 HA ASP A 21 -12.042 -7.590 13.706 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -14.710 -8.458 14.917 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -14.203 -8.979 13.322 1.00 0.12 H new ATOM 347 N CYS A 22 -13.300 -6.286 11.982 1.00 0.01 N ATOM 348 CA CYS A 22 -13.950 -5.363 11.002 1.00 0.00 C ATOM 349 C CYS A 22 -14.206 -6.105 9.688 1.00 0.02 C ATOM 350 O CYS A 22 -13.377 -6.859 9.212 1.00 0.01 O ATOM 351 CB CYS A 22 -13.026 -4.168 10.760 1.00 0.00 C ATOM 352 SG CYS A 22 -13.940 -2.860 9.908 1.00 0.02 S ATOM 0 H CYS A 22 -12.495 -6.796 11.619 1.00 0.01 H new ATOM 0 HA CYS A 22 -14.903 -5.012 11.397 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -12.639 -3.797 11.709 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -12.167 -4.474 10.163 1.00 0.00 H new ATOM 0 HG CYS A 22 -13.669 -2.898 8.637 1.00 0.02 H new ATOM 358 N ASP A 23 -15.362 -5.894 9.103 1.00 0.01 N ATOM 359 CA ASP A 23 -15.717 -6.576 7.816 1.00 0.02 C ATOM 360 C ASP A 23 -15.907 -5.531 6.713 1.00 0.00 C ATOM 361 O ASP A 23 -16.381 -5.832 5.636 1.00 0.02 O ATOM 362 CB ASP A 23 -17.017 -7.361 8.005 1.00 0.16 C ATOM 363 CG ASP A 23 -17.200 -8.332 6.837 1.00 0.17 C ATOM 364 OD1 ASP A 23 -16.654 -9.421 6.908 1.00 0.17 O ATOM 365 OD2 ASP A 23 -17.881 -7.969 5.893 1.00 0.20 O ATOM 0 H ASP A 23 -16.083 -5.271 9.467 1.00 0.01 H new ATOM 0 HA ASP A 23 -14.914 -7.256 7.531 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -16.990 -7.909 8.947 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -17.863 -6.676 8.059 1.00 0.16 H new ATOM 370 N CYS A 24 -15.527 -4.308 6.966 1.00 0.01 N ATOM 371 CA CYS A 24 -15.667 -3.246 5.928 1.00 0.01 C ATOM 372 C CYS A 24 -14.688 -2.117 6.259 1.00 0.01 C ATOM 373 O CYS A 24 -14.040 -2.140 7.286 1.00 0.01 O ATOM 374 CB CYS A 24 -17.100 -2.708 5.927 1.00 0.62 C ATOM 375 SG CYS A 24 -18.189 -3.894 5.101 1.00 1.23 S ATOM 0 H CYS A 24 -15.124 -3.997 7.850 1.00 0.01 H new ATOM 0 HA CYS A 24 -15.448 -3.654 4.941 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -17.437 -2.539 6.950 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -17.138 -1.746 5.416 1.00 0.62 H new ATOM 0 HG CYS A 24 -17.577 -5.034 4.980 1.00 1.23 H new ATOM 381 N ASP A 25 -14.557 -1.133 5.411 1.00 0.02 N ATOM 382 CA ASP A 25 -13.602 -0.027 5.702 1.00 0.01 C ATOM 383 C ASP A 25 -14.011 0.701 6.984 1.00 0.02 C ATOM 384 O ASP A 25 -15.179 0.877 7.267 1.00 0.00 O ATOM 385 CB ASP A 25 -13.614 0.967 4.539 1.00 0.01 C ATOM 386 CG ASP A 25 -12.965 0.321 3.312 1.00 0.01 C ATOM 387 OD1 ASP A 25 -13.188 -0.859 3.100 1.00 0.01 O ATOM 388 OD2 ASP A 25 -12.258 1.019 2.604 1.00 0.01 O ATOM 0 H ASP A 25 -15.068 -1.048 4.532 1.00 0.02 H new ATOM 0 HA ASP A 25 -12.603 -0.445 5.830 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -14.638 1.263 4.309 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -13.075 1.873 4.815 1.00 0.01 H new ATOM 393 N CYS A 26 -13.044 1.149 7.749 1.00 0.01 N ATOM 394 CA CYS A 26 -13.342 1.901 9.009 1.00 0.01 C ATOM 395 C CYS A 26 -12.480 3.166 9.037 1.00 0.01 C ATOM 396 O CYS A 26 -11.266 3.097 9.039 1.00 0.01 O ATOM 397 CB CYS A 26 -13.024 1.029 10.226 1.00 0.01 C ATOM 398 SG CYS A 26 -11.290 0.516 10.165 1.00 0.02 S ATOM 0 H CYS A 26 -12.051 1.024 7.552 1.00 0.01 H new ATOM 0 HA CYS A 26 -14.398 2.169 9.040 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.218 1.583 11.144 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -13.673 0.153 10.239 1.00 0.01 H new ATOM 0 HG CYS A 26 -11.019 -0.223 11.200 1.00 0.02 H new ATOM 404 N ALA A 27 -13.093 4.322 9.019 1.00 0.01 N ATOM 405 CA ALA A 27 -12.298 5.585 9.001 1.00 0.01 C ATOM 406 C ALA A 27 -11.737 5.888 10.388 1.00 0.01 C ATOM 407 O ALA A 27 -10.729 6.551 10.528 1.00 0.02 O ATOM 408 CB ALA A 27 -13.190 6.743 8.548 1.00 0.24 C ATOM 0 H ALA A 27 -14.106 4.445 9.016 1.00 0.01 H new ATOM 0 HA ALA A 27 -11.467 5.464 8.307 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -12.610 7.666 8.535 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -13.570 6.539 7.547 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -14.026 6.850 9.239 1.00 0.24 H new ATOM 414 N ASP A 28 -12.374 5.407 11.416 1.00 0.01 N ATOM 415 CA ASP A 28 -11.872 5.661 12.796 1.00 0.02 C ATOM 416 C ASP A 28 -12.325 4.512 13.694 1.00 0.01 C ATOM 417 O ASP A 28 -13.456 4.464 14.135 1.00 0.02 O ATOM 418 CB ASP A 28 -12.441 6.982 13.318 1.00 0.67 C ATOM 419 CG ASP A 28 -11.668 7.412 14.565 1.00 0.90 C ATOM 420 OD1 ASP A 28 -11.690 6.674 15.536 1.00 1.14 O ATOM 421 OD2 ASP A 28 -11.066 8.473 14.529 1.00 0.87 O ATOM 0 H ASP A 28 -13.224 4.846 11.362 1.00 0.01 H new ATOM 0 HA ASP A 28 -10.784 5.725 12.793 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -12.368 7.751 12.549 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.499 6.867 13.554 1.00 0.67 H new ATOM 426 N PHE A 29 -11.441 3.586 13.970 1.00 0.02 N ATOM 427 CA PHE A 29 -11.793 2.421 14.847 1.00 0.02 C ATOM 428 C PHE A 29 -11.167 2.608 16.232 1.00 0.00 C ATOM 429 O PHE A 29 -11.148 1.717 17.061 1.00 0.02 O ATOM 430 CB PHE A 29 -11.321 1.114 14.193 1.00 2.87 C ATOM 431 CG PHE A 29 -9.831 0.938 14.360 1.00 3.99 C ATOM 432 CD1 PHE A 29 -8.949 1.706 13.595 1.00 4.52 C ATOM 433 CD2 PHE A 29 -9.334 -0.006 15.267 1.00 4.68 C ATOM 434 CE1 PHE A 29 -7.569 1.534 13.739 1.00 5.75 C ATOM 435 CE2 PHE A 29 -7.956 -0.180 15.407 1.00 5.85 C ATOM 436 CZ PHE A 29 -7.072 0.590 14.644 1.00 6.37 C ATOM 0 H PHE A 29 -10.482 3.585 13.623 1.00 0.02 H new ATOM 0 HA PHE A 29 -12.875 2.367 14.968 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -11.844 0.269 14.641 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -11.574 1.120 13.133 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -9.333 2.432 12.893 1.00 4.52 H new ATOM 0 HD2 PHE A 29 -10.016 -0.599 15.858 1.00 4.68 H new ATOM 0 HE1 PHE A 29 -6.886 2.130 13.151 1.00 5.75 H new ATOM 0 HE2 PHE A 29 -7.572 -0.910 16.105 1.00 5.85 H new ATOM 0 HZ PHE A 29 -6.006 0.456 14.754 1.00 6.37 H new ATOM 446 N ARG A 30 -10.631 3.774 16.467 1.00 0.01 N ATOM 447 CA ARG A 30 -9.977 4.066 17.772 1.00 0.00 C ATOM 448 C ARG A 30 -10.968 3.891 18.925 1.00 0.01 C ATOM 449 O ARG A 30 -10.576 3.683 20.057 1.00 0.02 O ATOM 450 CB ARG A 30 -9.464 5.507 17.771 1.00 0.32 C ATOM 451 CG ARG A 30 -8.321 5.638 16.764 1.00 0.86 C ATOM 452 CD ARG A 30 -7.810 7.081 16.749 1.00 1.62 C ATOM 453 NE ARG A 30 -7.038 7.351 17.994 1.00 2.25 N ATOM 454 CZ ARG A 30 -6.262 8.399 18.067 1.00 2.70 C ATOM 455 NH1 ARG A 30 -6.162 9.208 17.047 1.00 3.11 N ATOM 456 NH2 ARG A 30 -5.586 8.636 19.157 1.00 3.02 N ATOM 0 H ARG A 30 -10.619 4.546 15.801 1.00 0.01 H new ATOM 0 HA ARG A 30 -9.149 3.370 17.908 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.271 6.192 17.513 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -9.119 5.783 18.768 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -7.511 4.958 17.028 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -8.665 5.353 15.770 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -7.179 7.245 15.875 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -8.648 7.773 16.672 1.00 1.62 H new ATOM 0 HE ARG A 30 -7.115 6.717 18.790 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -6.690 9.021 16.194 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -5.556 10.027 17.103 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -5.663 8.003 19.953 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -4.980 9.455 19.214 1.00 3.02 H new ATOM 470 N SER A 31 -12.246 3.989 18.669 1.00 0.02 N ATOM 471 CA SER A 31 -13.239 3.846 19.773 1.00 0.02 C ATOM 472 C SER A 31 -13.378 2.375 20.170 1.00 0.01 C ATOM 473 O SER A 31 -13.903 2.051 21.217 1.00 0.02 O ATOM 474 CB SER A 31 -14.595 4.372 19.303 1.00 0.37 C ATOM 475 OG SER A 31 -14.997 3.662 18.140 1.00 0.88 O ATOM 0 H SER A 31 -12.644 4.161 17.746 1.00 0.02 H new ATOM 0 HA SER A 31 -12.897 4.417 20.636 1.00 0.02 H new ATOM 0 HB2 SER A 31 -15.338 4.251 20.092 1.00 0.37 H new ATOM 0 HB3 SER A 31 -14.529 5.438 19.087 1.00 0.37 H new ATOM 0 HG SER A 31 -15.217 2.738 18.381 1.00 0.88 H new ATOM 481 N TYR A 32 -12.925 1.481 19.331 1.00 0.01 N ATOM 482 CA TYR A 32 -13.040 0.022 19.638 1.00 0.01 C ATOM 483 C TYR A 32 -11.682 -0.503 20.092 1.00 0.02 C ATOM 484 O TYR A 32 -11.584 -1.524 20.746 1.00 0.02 O ATOM 485 CB TYR A 32 -13.467 -0.718 18.368 1.00 0.02 C ATOM 486 CG TYR A 32 -14.766 -0.140 17.859 1.00 0.02 C ATOM 487 CD1 TYR A 32 -14.762 1.060 17.138 1.00 0.01 C ATOM 488 CD2 TYR A 32 -15.975 -0.804 18.107 1.00 0.01 C ATOM 489 CE1 TYR A 32 -15.966 1.595 16.664 1.00 0.02 C ATOM 490 CE2 TYR A 32 -17.178 -0.268 17.633 1.00 0.00 C ATOM 491 CZ TYR A 32 -17.174 0.932 16.912 1.00 0.02 C ATOM 492 OH TYR A 32 -18.360 1.458 16.445 1.00 0.02 O ATOM 0 H TYR A 32 -12.477 1.699 18.441 1.00 0.01 H new ATOM 0 HA TYR A 32 -13.776 -0.136 20.426 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -12.694 -0.629 17.605 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -13.587 -1.781 18.577 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -13.831 1.573 16.948 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -15.978 -1.729 18.664 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -15.963 2.520 16.107 1.00 0.02 H new ATOM 0 HE2 TYR A 32 -18.109 -0.780 17.824 1.00 0.00 H new ATOM 0 HH TYR A 32 -19.102 0.872 16.704 1.00 0.02 H new ATOM 502 N LEU A 33 -10.630 0.182 19.742 1.00 0.02 N ATOM 503 CA LEU A 33 -9.267 -0.272 20.141 1.00 0.02 C ATOM 504 C LEU A 33 -8.356 0.958 20.281 1.00 0.02 C ATOM 505 O LEU A 33 -8.291 1.807 19.415 1.00 0.02 O ATOM 506 CB LEU A 33 -8.725 -1.212 19.041 1.00 1.66 C ATOM 507 CG LEU A 33 -7.912 -2.370 19.659 1.00 2.38 C ATOM 508 CD1 LEU A 33 -8.811 -3.244 20.575 1.00 3.32 C ATOM 509 CD2 LEU A 33 -7.324 -3.239 18.534 1.00 2.80 C ATOM 0 H LEU A 33 -10.655 1.042 19.194 1.00 0.02 H new ATOM 0 HA LEU A 33 -9.298 -0.803 21.092 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -9.554 -1.614 18.459 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -8.096 -0.648 18.352 1.00 1.66 H new ATOM 0 HG LEU A 33 -7.107 -1.950 20.262 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -8.219 -4.054 21.000 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -9.217 -2.630 21.379 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -9.630 -3.662 19.989 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -6.750 -4.057 18.969 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -8.133 -3.646 17.928 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -6.672 -2.631 17.907 1.00 2.80 H new ATOM 521 N SER A 34 -7.678 1.056 21.394 1.00 0.02 N ATOM 522 CA SER A 34 -6.788 2.231 21.644 1.00 0.02 C ATOM 523 C SER A 34 -5.397 2.002 21.047 1.00 0.00 C ATOM 524 O SER A 34 -4.587 2.906 20.984 1.00 0.01 O ATOM 525 CB SER A 34 -6.661 2.442 23.152 1.00 0.02 C ATOM 526 OG SER A 34 -5.818 3.560 23.400 1.00 0.02 O ATOM 0 H SER A 34 -7.702 0.368 22.147 1.00 0.02 H new ATOM 0 HA SER A 34 -7.225 3.110 21.170 1.00 0.02 H new ATOM 0 HB2 SER A 34 -7.644 2.609 23.592 1.00 0.02 H new ATOM 0 HB3 SER A 34 -6.249 1.549 23.622 1.00 0.02 H new ATOM 0 HG SER A 34 -5.238 3.711 22.624 1.00 0.02 H new ATOM 532 N ARG A 35 -5.109 0.809 20.608 1.00 0.02 N ATOM 533 CA ARG A 35 -3.771 0.517 20.016 1.00 0.01 C ATOM 534 C ARG A 35 -3.837 -0.887 19.404 1.00 0.02 C ATOM 535 O ARG A 35 -4.708 -1.669 19.727 1.00 0.02 O ATOM 536 CB ARG A 35 -2.702 0.585 21.124 1.00 0.02 C ATOM 537 CG ARG A 35 -1.456 -0.227 20.736 1.00 0.02 C ATOM 538 CD ARG A 35 -0.300 0.114 21.681 1.00 0.02 C ATOM 539 NE ARG A 35 0.717 -0.974 21.627 1.00 0.02 N ATOM 540 CZ ARG A 35 1.910 -0.778 22.118 1.00 0.02 C ATOM 541 NH1 ARG A 35 2.214 0.371 22.656 1.00 0.00 N ATOM 542 NH2 ARG A 35 2.799 -1.734 22.071 1.00 0.02 N ATOM 0 H ARG A 35 -5.749 0.015 20.634 1.00 0.02 H new ATOM 0 HA ARG A 35 -3.507 1.243 19.247 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -2.423 1.624 21.302 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -3.115 0.201 22.057 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -1.676 -1.293 20.785 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -1.173 -0.007 19.707 1.00 0.02 H new ATOM 0 HD2 ARG A 35 0.151 1.064 21.394 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -0.670 0.231 22.699 1.00 0.02 H new ATOM 0 HE ARG A 35 0.480 -1.872 21.206 1.00 0.02 H new ATOM 0 HH11 ARG A 35 1.519 1.117 22.693 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.147 0.524 23.040 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.560 -2.632 21.651 1.00 0.02 H new ATOM 0 HH22 ARG A 35 3.732 -1.582 22.454 1.00 0.02 H new ATOM 556 N CYS A 36 -2.923 -1.222 18.529 1.00 0.02 N ATOM 557 CA CYS A 36 -2.930 -2.582 17.904 1.00 0.02 C ATOM 558 C CYS A 36 -1.486 -3.070 17.766 1.00 0.02 C ATOM 559 O CYS A 36 -0.714 -2.482 17.035 1.00 0.02 O ATOM 560 CB CYS A 36 -3.573 -2.496 16.516 1.00 0.02 C ATOM 561 SG CYS A 36 -4.963 -1.341 16.565 1.00 0.02 S ATOM 0 H CYS A 36 -2.168 -0.610 18.219 1.00 0.02 H new ATOM 0 HA CYS A 36 -3.497 -3.275 18.525 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -2.837 -2.165 15.783 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -3.916 -3.481 16.201 1.00 0.02 H new ATOM 0 HG CYS A 36 -5.781 -1.605 15.590 1.00 0.02 H new ATOM 567 N ASN A 37 -1.089 -4.114 18.463 1.00 0.02 N ATOM 568 CA ASN A 37 0.335 -4.584 18.358 1.00 0.01 C ATOM 569 C ASN A 37 0.413 -5.892 17.567 1.00 0.02 C ATOM 570 O ASN A 37 1.475 -6.437 17.336 1.00 0.02 O ATOM 571 CB ASN A 37 0.912 -4.801 19.761 1.00 0.02 C ATOM 572 CG ASN A 37 2.438 -4.867 19.688 1.00 0.01 C ATOM 573 OD1 ASN A 37 3.120 -3.974 20.150 1.00 0.03 O ATOM 574 ND2 ASN A 37 3.006 -5.895 19.125 1.00 0.02 N ATOM 0 H ASN A 37 -1.681 -4.655 19.093 1.00 0.02 H new ATOM 0 HA ASN A 37 0.914 -3.822 17.836 1.00 0.01 H new ATOM 0 HB2 ASN A 37 0.605 -3.989 20.420 1.00 0.02 H new ATOM 0 HB3 ASN A 37 0.519 -5.724 20.187 1.00 0.02 H new ATOM 0 HD21 ASN A 37 4.023 -5.950 19.072 1.00 0.02 H new ATOM 0 HD22 ASN A 37 2.434 -6.645 18.737 1.00 0.02 H new ATOM 581 N SER A 38 -0.715 -6.380 17.127 1.00 0.02 N ATOM 582 CA SER A 38 -0.748 -7.630 16.320 1.00 0.02 C ATOM 583 C SER A 38 -2.037 -7.614 15.498 1.00 0.01 C ATOM 584 O SER A 38 -3.004 -6.976 15.863 1.00 0.02 O ATOM 585 CB SER A 38 -0.717 -8.860 17.229 1.00 0.01 C ATOM 586 OG SER A 38 -1.204 -9.986 16.512 1.00 0.02 O ATOM 0 H SER A 38 -1.628 -5.958 17.296 1.00 0.02 H new ATOM 0 HA SER A 38 0.124 -7.680 15.668 1.00 0.02 H new ATOM 0 HB2 SER A 38 0.300 -9.046 17.574 1.00 0.01 H new ATOM 0 HB3 SER A 38 -1.327 -8.687 18.115 1.00 0.01 H new ATOM 0 HG SER A 38 -0.703 -10.082 15.675 1.00 0.02 H new ATOM 592 N ILE A 39 -2.057 -8.290 14.381 1.00 0.02 N ATOM 593 CA ILE A 39 -3.285 -8.284 13.528 1.00 0.02 C ATOM 594 C ILE A 39 -3.450 -9.634 12.830 1.00 0.02 C ATOM 595 O ILE A 39 -2.493 -10.289 12.472 1.00 0.02 O ATOM 596 CB ILE A 39 -3.140 -7.199 12.455 1.00 0.00 C ATOM 597 CG1 ILE A 39 -2.644 -5.903 13.103 1.00 0.01 C ATOM 598 CG2 ILE A 39 -4.495 -6.949 11.789 1.00 0.01 C ATOM 599 CD1 ILE A 39 -2.642 -4.777 12.069 1.00 0.00 C ATOM 0 H ILE A 39 -1.280 -8.845 14.021 1.00 0.02 H new ATOM 0 HA ILE A 39 -4.153 -8.091 14.158 1.00 0.02 H new ATOM 0 HB ILE A 39 -2.423 -7.529 11.703 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.285 -5.637 13.943 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -1.639 -6.046 13.501 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -4.389 -6.177 11.027 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -4.848 -7.870 11.326 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -5.214 -6.621 12.539 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -2.289 -3.857 12.534 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.982 -5.043 11.243 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.654 -4.628 11.692 1.00 0.00 H new ATOM 611 N ARG A 40 -4.678 -10.023 12.601 1.00 0.02 N ATOM 612 CA ARG A 40 -4.966 -11.298 11.877 1.00 0.02 C ATOM 613 C ARG A 40 -5.861 -10.968 10.683 1.00 0.01 C ATOM 614 O ARG A 40 -6.934 -10.420 10.848 1.00 0.02 O ATOM 615 CB ARG A 40 -5.688 -12.301 12.782 1.00 0.01 C ATOM 616 CG ARG A 40 -5.677 -13.684 12.128 1.00 0.02 C ATOM 617 CD ARG A 40 -6.397 -14.679 13.037 1.00 0.02 C ATOM 618 NE ARG A 40 -5.840 -14.585 14.416 1.00 0.02 N ATOM 619 CZ ARG A 40 -6.491 -15.108 15.417 1.00 0.02 C ATOM 620 NH1 ARG A 40 -7.628 -15.711 15.210 1.00 0.02 N ATOM 621 NH2 ARG A 40 -6.004 -15.029 16.626 1.00 0.02 N ATOM 0 H ARG A 40 -5.506 -9.503 12.890 1.00 0.02 H new ATOM 0 HA ARG A 40 -4.026 -11.749 11.557 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -5.200 -12.344 13.756 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -6.714 -11.977 12.954 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -6.167 -13.643 11.155 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -4.651 -14.009 11.955 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -7.466 -14.468 13.050 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -6.277 -15.692 12.653 1.00 0.02 H new ATOM 0 HE ARG A 40 -4.951 -14.112 14.576 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -8.008 -15.773 14.265 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -8.138 -16.121 15.993 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -5.114 -14.558 16.787 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -6.514 -15.438 17.409 1.00 0.02 H new ATOM 635 N VAL A 41 -5.470 -11.342 9.491 1.00 0.02 N ATOM 636 CA VAL A 41 -6.345 -11.099 8.307 1.00 0.01 C ATOM 637 C VAL A 41 -6.941 -12.445 7.918 1.00 0.02 C ATOM 638 O VAL A 41 -6.238 -13.349 7.520 1.00 0.02 O ATOM 639 CB VAL A 41 -5.534 -10.509 7.156 1.00 0.01 C ATOM 640 CG1 VAL A 41 -6.491 -10.090 6.035 1.00 0.02 C ATOM 641 CG2 VAL A 41 -4.787 -9.273 7.658 1.00 0.00 C ATOM 0 H VAL A 41 -4.584 -11.804 9.288 1.00 0.02 H new ATOM 0 HA VAL A 41 -7.133 -10.383 8.541 1.00 0.01 H new ATOM 0 HB VAL A 41 -4.825 -11.248 6.783 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -5.920 -9.667 5.208 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -7.045 -10.961 5.685 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -7.189 -9.343 6.413 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -4.204 -8.844 6.843 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.504 -8.536 8.018 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.119 -9.557 8.471 1.00 0.00 H new ATOM 651 N GLU A 42 -8.232 -12.591 8.063 1.00 0.01 N ATOM 652 CA GLU A 42 -8.878 -13.893 7.739 1.00 0.01 C ATOM 653 C GLU A 42 -9.158 -13.964 6.246 1.00 0.02 C ATOM 654 O GLU A 42 -9.095 -15.022 5.652 1.00 0.01 O ATOM 655 CB GLU A 42 -10.188 -14.025 8.515 1.00 0.99 C ATOM 656 CG GLU A 42 -9.889 -14.120 10.012 1.00 1.86 C ATOM 657 CD GLU A 42 -9.211 -15.457 10.318 1.00 3.10 C ATOM 658 OE1 GLU A 42 -9.203 -16.308 9.443 1.00 3.81 O ATOM 659 OE2 GLU A 42 -8.714 -15.609 11.420 1.00 3.67 O ATOM 0 H GLU A 42 -8.866 -11.863 8.392 1.00 0.01 H new ATOM 0 HA GLU A 42 -8.211 -14.707 8.021 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -10.829 -13.166 8.315 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -10.730 -14.911 8.185 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -9.244 -13.296 10.317 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -10.813 -14.030 10.584 1.00 1.86 H new ATOM 666 N GLY A 43 -9.476 -12.866 5.623 1.00 0.01 N ATOM 667 CA GLY A 43 -9.762 -12.929 4.165 1.00 0.02 C ATOM 668 C GLY A 43 -9.686 -11.542 3.544 1.00 0.02 C ATOM 669 O GLY A 43 -9.974 -10.554 4.189 1.00 0.02 O ATOM 0 H GLY A 43 -9.550 -11.943 6.051 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -9.047 -13.592 3.677 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -10.753 -13.353 4.001 1.00 0.02 H new ATOM 673 N GLY A 44 -9.323 -11.458 2.297 1.00 0.00 N ATOM 674 CA GLY A 44 -9.252 -10.124 1.644 1.00 0.01 C ATOM 675 C GLY A 44 -7.915 -9.459 1.970 1.00 0.01 C ATOM 676 O GLY A 44 -7.153 -9.932 2.790 1.00 0.01 O ATOM 0 H GLY A 44 -9.074 -12.250 1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.362 -10.231 0.565 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -10.074 -9.496 1.988 1.00 0.01 H new ATOM 680 N THR A 45 -7.657 -8.336 1.355 1.00 0.01 N ATOM 681 CA THR A 45 -6.399 -7.573 1.635 1.00 0.00 C ATOM 682 C THR A 45 -6.785 -6.192 2.155 1.00 0.01 C ATOM 683 O THR A 45 -7.729 -5.595 1.681 1.00 0.01 O ATOM 684 CB THR A 45 -5.582 -7.424 0.349 1.00 0.73 C ATOM 685 OG1 THR A 45 -5.110 -8.699 -0.061 1.00 0.88 O ATOM 686 CG2 THR A 45 -4.389 -6.490 0.600 1.00 1.48 C ATOM 0 H THR A 45 -8.270 -7.907 0.662 1.00 0.01 H new ATOM 0 HA THR A 45 -5.797 -8.104 2.373 1.00 0.00 H new ATOM 0 HB THR A 45 -6.212 -7.000 -0.433 1.00 0.73 H new ATOM 0 HG1 THR A 45 -5.868 -9.311 -0.163 1.00 0.88 H new ATOM 0 HG21 THR A 45 -3.809 -6.386 -0.317 1.00 1.48 H new ATOM 0 HG22 THR A 45 -4.753 -5.511 0.913 1.00 1.48 H new ATOM 0 HG23 THR A 45 -3.757 -6.909 1.383 1.00 1.48 H new ATOM 694 N TRP A 46 -6.116 -5.702 3.171 1.00 0.02 N ATOM 695 CA TRP A 46 -6.503 -4.379 3.759 1.00 0.01 C ATOM 696 C TRP A 46 -5.317 -3.416 3.828 1.00 0.01 C ATOM 697 O TRP A 46 -4.173 -3.798 3.976 1.00 0.01 O ATOM 698 CB TRP A 46 -7.019 -4.612 5.179 1.00 0.00 C ATOM 699 CG TRP A 46 -8.223 -5.494 5.130 1.00 0.01 C ATOM 700 CD1 TRP A 46 -8.210 -6.808 4.815 1.00 0.01 C ATOM 701 CD2 TRP A 46 -9.610 -5.150 5.401 1.00 0.01 C ATOM 702 NE1 TRP A 46 -9.504 -7.294 4.872 1.00 0.00 N ATOM 703 CE2 TRP A 46 -10.405 -6.308 5.229 1.00 0.01 C ATOM 704 CE3 TRP A 46 -10.249 -3.955 5.774 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -11.786 -6.280 5.422 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -11.638 -3.924 5.969 1.00 0.02 C ATOM 707 CH2 TRP A 46 -12.405 -5.084 5.793 1.00 0.01 C ATOM 0 H TRP A 46 -5.321 -6.159 3.618 1.00 0.02 H new ATOM 0 HA TRP A 46 -7.267 -3.934 3.121 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.242 -5.072 5.789 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.270 -3.660 5.647 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.333 -7.384 4.560 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -9.762 -8.261 4.675 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.667 -3.055 5.911 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -12.373 -7.177 5.286 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -12.119 -3.001 6.256 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -13.474 -5.053 5.944 1.00 0.01 H new ATOM 718 N ALA A 47 -5.626 -2.147 3.789 1.00 0.01 N ATOM 719 CA ALA A 47 -4.589 -1.086 3.924 1.00 0.01 C ATOM 720 C ALA A 47 -4.809 -0.500 5.312 1.00 0.01 C ATOM 721 O ALA A 47 -5.922 -0.195 5.693 1.00 0.01 O ATOM 722 CB ALA A 47 -4.785 -0.014 2.850 1.00 0.24 C ATOM 0 H ALA A 47 -6.576 -1.795 3.666 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.579 -1.475 3.800 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -4.021 0.755 2.960 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -4.703 -0.469 1.863 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -5.771 0.436 2.961 1.00 0.24 H new ATOM 728 N VAL A 48 -3.754 -0.320 6.063 1.00 0.01 N ATOM 729 CA VAL A 48 -3.882 0.272 7.430 1.00 0.02 C ATOM 730 C VAL A 48 -3.111 1.588 7.482 1.00 0.01 C ATOM 731 O VAL A 48 -2.065 1.727 6.873 1.00 0.01 O ATOM 732 CB VAL A 48 -3.336 -0.703 8.475 1.00 0.09 C ATOM 733 CG1 VAL A 48 -4.161 -1.990 8.447 1.00 0.48 C ATOM 734 CG2 VAL A 48 -1.873 -1.027 8.160 1.00 0.65 C ATOM 0 H VAL A 48 -2.802 -0.559 5.787 1.00 0.01 H new ATOM 0 HA VAL A 48 -4.933 0.461 7.649 1.00 0.02 H new ATOM 0 HB VAL A 48 -3.400 -0.249 9.464 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -3.774 -2.687 9.191 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -5.202 -1.760 8.673 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -4.096 -2.443 7.458 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -1.486 -1.722 8.905 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -1.806 -1.481 7.171 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -1.285 -0.109 8.179 1.00 0.65 H new ATOM 744 N TYR A 49 -3.632 2.559 8.187 1.00 0.01 N ATOM 745 CA TYR A 49 -2.955 3.890 8.272 1.00 0.01 C ATOM 746 C TYR A 49 -2.611 4.200 9.725 1.00 0.01 C ATOM 747 O TYR A 49 -3.319 3.849 10.651 1.00 0.02 O ATOM 748 CB TYR A 49 -3.903 4.961 7.726 1.00 0.01 C ATOM 749 CG TYR A 49 -4.323 4.589 6.322 1.00 0.00 C ATOM 750 CD1 TYR A 49 -5.220 3.534 6.110 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.819 5.306 5.231 1.00 0.01 C ATOM 752 CE1 TYR A 49 -5.609 3.197 4.808 1.00 0.01 C ATOM 753 CE2 TYR A 49 -4.208 4.969 3.930 1.00 0.01 C ATOM 754 CZ TYR A 49 -5.102 3.913 3.717 1.00 0.02 C ATOM 755 OH TYR A 49 -5.485 3.583 2.433 1.00 0.01 O ATOM 0 H TYR A 49 -4.504 2.487 8.712 1.00 0.01 H new ATOM 0 HA TYR A 49 -2.036 3.876 7.686 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -4.779 5.049 8.369 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -3.410 5.933 7.725 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.611 2.981 6.951 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -3.129 6.121 5.394 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -6.301 2.384 4.645 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -3.818 5.524 3.089 1.00 0.01 H new ATOM 0 HH TYR A 49 -5.041 4.180 1.795 1.00 0.01 H new ATOM 765 N GLU A 50 -1.486 4.832 9.919 1.00 0.01 N ATOM 766 CA GLU A 50 -1.020 5.150 11.293 1.00 0.01 C ATOM 767 C GLU A 50 -1.958 6.157 11.965 1.00 0.01 C ATOM 768 O GLU A 50 -2.145 6.113 13.164 1.00 0.02 O ATOM 769 CB GLU A 50 0.386 5.749 11.205 1.00 0.02 C ATOM 770 CG GLU A 50 1.045 5.724 12.587 1.00 0.01 C ATOM 771 CD GLU A 50 2.495 6.193 12.466 1.00 0.02 C ATOM 772 OE1 GLU A 50 3.292 5.454 11.912 1.00 0.01 O ATOM 773 OE2 GLU A 50 2.786 7.284 12.931 1.00 0.02 O ATOM 0 H GLU A 50 -0.864 5.144 9.173 1.00 0.01 H new ATOM 0 HA GLU A 50 -1.012 4.237 11.888 1.00 0.01 H new ATOM 0 HB2 GLU A 50 0.989 5.184 10.494 1.00 0.02 H new ATOM 0 HB3 GLU A 50 0.333 6.773 10.835 1.00 0.02 H new ATOM 0 HG2 GLU A 50 0.498 6.370 13.275 1.00 0.01 H new ATOM 0 HG3 GLU A 50 1.010 4.716 13.001 1.00 0.01 H new ATOM 780 N ARG A 51 -2.528 7.082 11.220 1.00 0.02 N ATOM 781 CA ARG A 51 -3.428 8.110 11.846 1.00 0.02 C ATOM 782 C ARG A 51 -4.803 8.106 11.139 1.00 0.01 C ATOM 783 O ARG A 51 -4.917 7.679 10.002 1.00 0.02 O ATOM 784 CB ARG A 51 -2.752 9.490 11.669 1.00 0.02 C ATOM 785 CG ARG A 51 -1.863 9.806 12.885 1.00 0.01 C ATOM 786 CD ARG A 51 -0.792 10.831 12.495 1.00 0.02 C ATOM 787 NE ARG A 51 0.278 10.152 11.710 1.00 0.02 N ATOM 788 CZ ARG A 51 1.134 10.859 11.022 1.00 0.02 C ATOM 789 NH1 ARG A 51 1.054 12.160 11.024 1.00 0.02 N ATOM 790 NH2 ARG A 51 2.070 10.263 10.335 1.00 0.01 N ATOM 0 H ARG A 51 -2.409 7.169 10.211 1.00 0.02 H new ATOM 0 HA ARG A 51 -3.585 7.890 12.902 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -2.152 9.495 10.759 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -3.512 10.263 11.554 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -2.472 10.196 13.701 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -1.390 8.893 13.248 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -1.237 11.633 11.906 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -0.368 11.289 13.389 1.00 0.02 H new ATOM 0 HE ARG A 51 0.342 9.134 11.710 1.00 0.02 H new ATOM 0 HH11 ARG A 51 0.323 12.625 11.563 1.00 0.02 H new ATOM 0 HH12 ARG A 51 1.722 12.713 10.487 1.00 0.02 H new ATOM 0 HH21 ARG A 51 2.133 9.245 10.335 1.00 0.01 H new ATOM 0 HH22 ARG A 51 2.738 10.815 9.798 1.00 0.01 H new ATOM 804 N PRO A 52 -5.842 8.586 11.811 1.00 0.02 N ATOM 805 CA PRO A 52 -7.214 8.621 11.217 1.00 0.02 C ATOM 806 C PRO A 52 -7.266 9.335 9.860 1.00 0.01 C ATOM 807 O PRO A 52 -6.365 10.044 9.462 1.00 0.02 O ATOM 808 CB PRO A 52 -8.031 9.383 12.287 1.00 0.02 C ATOM 809 CG PRO A 52 -7.070 9.841 13.400 1.00 0.01 C ATOM 810 CD PRO A 52 -5.730 9.118 13.205 1.00 0.01 C ATOM 0 HA PRO A 52 -7.594 7.623 10.999 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -8.531 10.243 11.841 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -8.809 8.740 12.699 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -6.929 10.921 13.359 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -7.487 9.611 14.381 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -4.884 9.797 13.312 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -5.591 8.319 13.933 1.00 0.01 H new ATOM 818 N ASN A 53 -8.371 9.158 9.183 1.00 0.02 N ATOM 819 CA ASN A 53 -8.589 9.823 7.869 1.00 0.02 C ATOM 820 C ASN A 53 -7.590 9.327 6.827 1.00 0.01 C ATOM 821 O ASN A 53 -7.140 10.061 5.972 1.00 0.01 O ATOM 822 CB ASN A 53 -8.453 11.337 8.048 1.00 0.01 C ATOM 823 CG ASN A 53 -9.070 11.749 9.386 1.00 0.02 C ATOM 824 OD1 ASN A 53 -10.264 11.637 9.578 1.00 0.02 O ATOM 825 ND2 ASN A 53 -8.298 12.223 10.325 1.00 0.01 N ATOM 0 H ASN A 53 -9.144 8.569 9.494 1.00 0.02 H new ATOM 0 HA ASN A 53 -9.590 9.578 7.513 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -7.402 11.625 8.016 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -8.951 11.857 7.230 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -8.697 12.500 11.222 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -7.295 12.316 10.162 1.00 0.01 H new ATOM 832 N PHE A 54 -7.263 8.066 6.890 1.00 0.02 N ATOM 833 CA PHE A 54 -6.319 7.473 5.908 1.00 0.01 C ATOM 834 C PHE A 54 -5.101 8.376 5.713 1.00 0.01 C ATOM 835 O PHE A 54 -4.734 8.718 4.606 1.00 0.02 O ATOM 836 CB PHE A 54 -7.049 7.264 4.577 1.00 1.78 C ATOM 837 CG PHE A 54 -8.472 6.825 4.844 1.00 2.32 C ATOM 838 CD1 PHE A 54 -8.717 5.712 5.656 1.00 2.53 C ATOM 839 CD2 PHE A 54 -9.545 7.528 4.279 1.00 2.77 C ATOM 840 CE1 PHE A 54 -10.032 5.301 5.903 1.00 3.03 C ATOM 841 CE2 PHE A 54 -10.859 7.116 4.525 1.00 3.32 C ATOM 842 CZ PHE A 54 -11.103 6.002 5.337 1.00 3.39 C ATOM 0 H PHE A 54 -7.616 7.414 7.591 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.965 6.513 6.285 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -7.045 8.188 3.999 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -6.531 6.513 3.981 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -7.891 5.170 6.092 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -9.357 8.388 3.653 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -10.220 4.443 6.531 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -11.685 7.657 4.088 1.00 3.32 H new ATOM 0 HZ PHE A 54 -12.117 5.684 5.527 1.00 3.39 H new ATOM 852 N SER A 55 -4.473 8.755 6.801 1.00 0.02 N ATOM 853 CA SER A 55 -3.266 9.640 6.729 1.00 0.02 C ATOM 854 C SER A 55 -2.109 9.005 7.507 1.00 0.01 C ATOM 855 O SER A 55 -2.299 8.093 8.289 1.00 0.01 O ATOM 856 CB SER A 55 -3.605 10.995 7.349 1.00 1.90 C ATOM 857 OG SER A 55 -3.575 10.882 8.765 1.00 2.33 O ATOM 0 H SER A 55 -4.748 8.486 7.746 1.00 0.02 H new ATOM 0 HA SER A 55 -2.971 9.768 5.687 1.00 0.02 H new ATOM 0 HB2 SER A 55 -2.891 11.749 7.017 1.00 1.90 H new ATOM 0 HB3 SER A 55 -4.591 11.323 7.019 1.00 1.90 H new ATOM 0 HG SER A 55 -4.458 10.609 9.090 1.00 2.33 H new ATOM 863 N GLY A 56 -0.906 9.473 7.291 1.00 0.02 N ATOM 864 CA GLY A 56 0.270 8.893 8.007 1.00 0.02 C ATOM 865 C GLY A 56 0.838 7.713 7.211 1.00 0.02 C ATOM 866 O GLY A 56 0.588 7.574 6.030 1.00 0.00 O ATOM 0 H GLY A 56 -0.687 10.234 6.648 1.00 0.02 H new ATOM 0 HA2 GLY A 56 1.037 9.656 8.140 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -0.027 8.562 9.002 1.00 0.02 H new ATOM 870 N HIS A 57 1.623 6.879 7.838 1.00 0.02 N ATOM 871 CA HIS A 57 2.232 5.730 7.105 1.00 0.02 C ATOM 872 C HIS A 57 1.142 4.782 6.595 1.00 0.01 C ATOM 873 O HIS A 57 0.147 4.555 7.258 1.00 0.01 O ATOM 874 CB HIS A 57 3.181 4.969 8.040 1.00 0.00 C ATOM 875 CG HIS A 57 4.129 4.136 7.221 1.00 0.01 C ATOM 876 ND1 HIS A 57 3.685 3.288 6.219 1.00 0.01 N ATOM 877 CD2 HIS A 57 5.497 4.021 7.232 1.00 0.01 C ATOM 878 CE1 HIS A 57 4.768 2.708 5.671 1.00 0.02 C ATOM 879 NE2 HIS A 57 5.898 3.119 6.252 1.00 0.01 N ATOM 0 H HIS A 57 1.869 6.943 8.826 1.00 0.02 H new ATOM 0 HA HIS A 57 2.790 6.114 6.251 1.00 0.02 H new ATOM 0 HB2 HIS A 57 3.739 5.671 8.660 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.610 4.332 8.715 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.161 4.550 7.900 1.00 0.01 H new ATOM 0 HE1 HIS A 57 4.728 1.996 4.860 1.00 0.02 H new ATOM 0 HE2 HIS A 57 6.851 2.833 6.026 1.00 0.01 H new ATOM 887 N MET A 58 1.336 4.228 5.416 1.00 0.02 N ATOM 888 CA MET A 58 0.331 3.283 4.828 1.00 0.02 C ATOM 889 C MET A 58 0.978 1.905 4.641 1.00 0.01 C ATOM 890 O MET A 58 2.080 1.793 4.144 1.00 0.01 O ATOM 891 CB MET A 58 -0.106 3.798 3.448 1.00 2.61 C ATOM 892 CG MET A 58 -0.587 5.252 3.539 1.00 3.46 C ATOM 893 SD MET A 58 -0.455 6.029 1.909 1.00 4.50 S ATOM 894 CE MET A 58 -1.330 4.748 0.977 1.00 5.01 C ATOM 0 H MET A 58 2.156 4.394 4.833 1.00 0.02 H new ATOM 0 HA MET A 58 -0.528 3.212 5.496 1.00 0.02 H new ATOM 0 HB2 MET A 58 0.727 3.728 2.748 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.905 3.169 3.056 1.00 2.61 H new ATOM 0 HG2 MET A 58 -1.619 5.284 3.888 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.012 5.801 4.266 1.00 3.46 H new ATOM 0 HE1 MET A 58 -1.696 5.166 0.039 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.650 3.923 0.766 1.00 5.01 H new ATOM 0 HE3 MET A 58 -2.172 4.382 1.564 1.00 5.01 H new ATOM 904 N TYR A 59 0.292 0.855 5.022 1.00 0.02 N ATOM 905 CA TYR A 59 0.851 -0.531 4.856 1.00 0.01 C ATOM 906 C TYR A 59 -0.240 -1.451 4.290 1.00 0.01 C ATOM 907 O TYR A 59 -1.371 -1.443 4.731 1.00 0.02 O ATOM 908 CB TYR A 59 1.305 -1.080 6.216 1.00 0.01 C ATOM 909 CG TYR A 59 2.685 -0.565 6.564 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.811 -1.131 5.956 1.00 0.01 C ATOM 911 CD2 TYR A 59 2.838 0.461 7.505 1.00 0.01 C ATOM 912 CE1 TYR A 59 5.092 -0.671 6.289 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.118 0.922 7.836 1.00 0.01 C ATOM 914 CZ TYR A 59 5.246 0.354 7.228 1.00 0.01 C ATOM 915 OH TYR A 59 6.508 0.806 7.555 1.00 0.01 O ATOM 0 H TYR A 59 -0.636 0.895 5.443 1.00 0.02 H new ATOM 0 HA TYR A 59 1.703 -0.493 4.177 1.00 0.01 H new ATOM 0 HB2 TYR A 59 0.595 -0.785 6.989 1.00 0.01 H new ATOM 0 HB3 TYR A 59 1.313 -2.170 6.190 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.693 -1.922 5.230 1.00 0.01 H new ATOM 0 HD2 TYR A 59 1.969 0.897 7.975 1.00 0.01 H new ATOM 0 HE1 TYR A 59 5.961 -1.108 5.820 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.236 1.715 8.560 1.00 0.01 H new ATOM 0 HH TYR A 59 6.559 1.772 7.401 1.00 0.01 H new ATOM 925 N ILE A 60 0.111 -2.255 3.315 1.00 0.02 N ATOM 926 CA ILE A 60 -0.874 -3.201 2.708 1.00 0.01 C ATOM 927 C ILE A 60 -0.714 -4.574 3.365 1.00 0.01 C ATOM 928 O ILE A 60 0.388 -5.066 3.509 1.00 0.01 O ATOM 929 CB ILE A 60 -0.613 -3.330 1.206 1.00 0.45 C ATOM 930 CG1 ILE A 60 -0.434 -1.936 0.589 1.00 1.35 C ATOM 931 CG2 ILE A 60 -1.799 -4.041 0.546 1.00 1.21 C ATOM 932 CD1 ILE A 60 -1.592 -1.023 1.003 1.00 1.72 C ATOM 0 H ILE A 60 1.047 -2.295 2.911 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.884 -2.824 2.866 1.00 0.01 H new ATOM 0 HB ILE A 60 0.295 -3.910 1.043 1.00 0.45 H new ATOM 0 HG12 ILE A 60 0.513 -1.505 0.914 1.00 1.35 H new ATOM 0 HG13 ILE A 60 -0.393 -2.014 -0.497 1.00 1.35 H new ATOM 0 HG21 ILE A 60 -1.617 -4.135 -0.525 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -1.917 -5.033 0.982 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -2.708 -3.462 0.710 1.00 1.21 H new ATOM 0 HD11 ILE A 60 -1.454 -0.037 0.559 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -2.533 -1.449 0.656 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -1.614 -0.933 2.089 1.00 1.72 H new ATOM 944 N LEU A 61 -1.798 -5.192 3.776 1.00 0.01 N ATOM 945 CA LEU A 61 -1.701 -6.535 4.440 1.00 0.01 C ATOM 946 C LEU A 61 -2.556 -7.582 3.683 1.00 0.01 C ATOM 947 O LEU A 61 -3.769 -7.529 3.747 1.00 0.00 O ATOM 948 CB LEU A 61 -2.232 -6.415 5.882 1.00 0.01 C ATOM 949 CG LEU A 61 -1.135 -5.886 6.822 1.00 0.02 C ATOM 950 CD1 LEU A 61 -1.744 -5.658 8.209 1.00 0.01 C ATOM 951 CD2 LEU A 61 0.028 -6.903 6.923 1.00 0.01 C ATOM 0 H LEU A 61 -2.745 -4.825 3.681 1.00 0.01 H new ATOM 0 HA LEU A 61 -0.659 -6.856 4.435 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -3.091 -5.745 5.904 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -2.578 -7.388 6.230 1.00 0.01 H new ATOM 0 HG LEU A 61 -0.740 -4.950 6.427 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -0.977 -5.283 8.886 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -2.552 -4.930 8.136 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -2.138 -6.599 8.593 1.00 0.01 H new ATOM 0 HD21 LEU A 61 0.795 -6.513 7.592 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -0.348 -7.848 7.314 1.00 0.01 H new ATOM 0 HD23 LEU A 61 0.457 -7.065 5.934 1.00 0.01 H new ATOM 963 N PRO A 62 -1.960 -8.553 3.001 1.00 0.02 N ATOM 964 CA PRO A 62 -2.770 -9.595 2.312 1.00 0.01 C ATOM 965 C PRO A 62 -3.317 -10.597 3.340 1.00 0.00 C ATOM 966 O PRO A 62 -2.954 -10.562 4.498 1.00 0.02 O ATOM 967 CB PRO A 62 -1.745 -10.249 1.369 1.00 1.47 C ATOM 968 CG PRO A 62 -0.337 -9.845 1.844 1.00 1.29 C ATOM 969 CD PRO A 62 -0.478 -8.684 2.849 1.00 0.82 C ATOM 0 HA PRO A 62 -3.641 -9.210 1.782 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.854 -11.333 1.380 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.909 -9.923 0.342 1.00 1.47 H new ATOM 0 HG2 PRO A 62 0.164 -10.693 2.312 1.00 1.29 H new ATOM 0 HG3 PRO A 62 0.277 -9.541 0.996 1.00 1.29 H new ATOM 0 HD2 PRO A 62 0.007 -8.910 3.798 1.00 0.82 H new ATOM 0 HD3 PRO A 62 -0.028 -7.766 2.472 1.00 0.82 H new ATOM 977 N GLN A 63 -4.188 -11.481 2.937 1.00 0.02 N ATOM 978 CA GLN A 63 -4.747 -12.467 3.907 1.00 0.00 C ATOM 979 C GLN A 63 -3.612 -13.186 4.646 1.00 0.00 C ATOM 980 O GLN A 63 -2.607 -13.533 4.059 1.00 0.02 O ATOM 981 CB GLN A 63 -5.612 -13.491 3.154 1.00 1.27 C ATOM 982 CG GLN A 63 -4.732 -14.440 2.325 1.00 1.67 C ATOM 983 CD GLN A 63 -3.761 -13.631 1.462 1.00 2.43 C ATOM 984 OE1 GLN A 63 -4.155 -12.690 0.802 1.00 4.25 O ATOM 985 NE2 GLN A 63 -2.497 -13.958 1.441 1.00 3.04 N ATOM 0 H GLN A 63 -4.536 -11.564 1.982 1.00 0.02 H new ATOM 0 HA GLN A 63 -5.361 -11.940 4.638 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.206 -14.066 3.865 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -6.312 -12.972 2.500 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -4.177 -15.105 2.986 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -5.357 -15.069 1.692 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -2.165 -14.748 1.995 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -1.841 -13.424 0.871 1.00 3.04 H new ATOM 994 N GLY A 64 -3.757 -13.418 5.929 1.00 0.02 N ATOM 995 CA GLY A 64 -2.671 -14.121 6.675 1.00 0.01 C ATOM 996 C GLY A 64 -2.742 -13.784 8.166 1.00 0.02 C ATOM 997 O GLY A 64 -3.613 -13.068 8.620 1.00 0.02 O ATOM 0 H GLY A 64 -4.571 -13.154 6.484 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -2.763 -15.198 6.535 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -1.700 -13.829 6.276 1.00 0.01 H new ATOM 1001 N GLU A 65 -1.818 -14.305 8.935 1.00 0.02 N ATOM 1002 CA GLU A 65 -1.797 -14.038 10.408 1.00 0.02 C ATOM 1003 C GLU A 65 -0.487 -13.339 10.780 1.00 0.02 C ATOM 1004 O GLU A 65 0.590 -13.783 10.436 1.00 0.02 O ATOM 1005 CB GLU A 65 -1.892 -15.375 11.152 1.00 0.77 C ATOM 1006 CG GLU A 65 -1.642 -15.154 12.647 1.00 0.49 C ATOM 1007 CD GLU A 65 -2.111 -16.379 13.434 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -3.280 -16.710 13.332 1.00 0.71 O ATOM 1009 OE2 GLU A 65 -1.292 -16.963 14.124 1.00 0.96 O ATOM 0 H GLU A 65 -1.068 -14.911 8.601 1.00 0.02 H new ATOM 0 HA GLU A 65 -2.636 -13.399 10.683 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -2.876 -15.818 11.000 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -1.161 -16.078 10.751 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -0.581 -14.979 12.826 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -2.174 -14.265 12.987 1.00 0.49 H new ATOM 1016 N TYR A 66 -0.587 -12.252 11.506 1.00 0.02 N ATOM 1017 CA TYR A 66 0.624 -11.497 11.950 1.00 0.02 C ATOM 1018 C TYR A 66 0.614 -11.456 13.493 1.00 0.02 C ATOM 1019 O TYR A 66 -0.064 -10.632 14.080 1.00 0.02 O ATOM 1020 CB TYR A 66 0.533 -10.076 11.393 1.00 0.01 C ATOM 1021 CG TYR A 66 0.520 -10.152 9.884 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -0.667 -10.469 9.213 1.00 0.02 C ATOM 1023 CD2 TYR A 66 1.693 -9.917 9.159 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -0.680 -10.552 7.816 1.00 0.02 C ATOM 1025 CE2 TYR A 66 1.681 -10.001 7.761 1.00 0.02 C ATOM 1026 CZ TYR A 66 0.494 -10.318 7.090 1.00 0.02 C ATOM 1027 OH TYR A 66 0.481 -10.402 5.713 1.00 0.01 O ATOM 0 H TYR A 66 -1.473 -11.850 11.814 1.00 0.02 H new ATOM 0 HA TYR A 66 1.541 -11.969 11.596 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -0.370 -9.584 11.755 1.00 0.01 H new ATOM 0 HB3 TYR A 66 1.379 -9.480 11.735 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -1.573 -10.649 9.773 1.00 0.02 H new ATOM 0 HD2 TYR A 66 2.608 -9.671 9.677 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -1.596 -10.797 7.298 1.00 0.02 H new ATOM 0 HE2 TYR A 66 2.587 -9.821 7.201 1.00 0.02 H new ATOM 0 HH TYR A 66 1.377 -10.210 5.365 1.00 0.01 H new ATOM 1037 N PRO A 67 1.322 -12.350 14.163 1.00 0.01 N ATOM 1038 CA PRO A 67 1.304 -12.370 15.654 1.00 0.02 C ATOM 1039 C PRO A 67 2.035 -11.186 16.305 1.00 0.02 C ATOM 1040 O PRO A 67 1.991 -11.031 17.510 1.00 0.02 O ATOM 1041 CB PRO A 67 1.995 -13.710 15.984 1.00 0.02 C ATOM 1042 CG PRO A 67 2.606 -14.279 14.686 1.00 0.02 C ATOM 1043 CD PRO A 67 2.170 -13.388 13.506 1.00 0.01 C ATOM 0 HA PRO A 67 0.291 -12.279 16.046 1.00 0.02 H new ATOM 0 HB2 PRO A 67 2.771 -13.561 16.734 1.00 0.02 H new ATOM 0 HB3 PRO A 67 1.276 -14.413 16.404 1.00 0.02 H new ATOM 0 HG2 PRO A 67 3.693 -14.305 14.759 1.00 0.02 H new ATOM 0 HG3 PRO A 67 2.273 -15.305 14.529 1.00 0.02 H new ATOM 0 HD2 PRO A 67 3.026 -12.946 12.996 1.00 0.01 H new ATOM 0 HD3 PRO A 67 1.611 -13.952 12.759 1.00 0.01 H new ATOM 1051 N GLU A 68 2.684 -10.338 15.542 1.00 0.01 N ATOM 1052 CA GLU A 68 3.388 -9.166 16.152 1.00 0.01 C ATOM 1053 C GLU A 68 3.418 -8.048 15.107 1.00 0.03 C ATOM 1054 O GLU A 68 3.363 -8.280 13.917 1.00 0.02 O ATOM 1055 CB GLU A 68 4.857 -9.508 16.495 1.00 0.69 C ATOM 1056 CG GLU A 68 4.970 -10.826 17.266 1.00 1.09 C ATOM 1057 CD GLU A 68 4.301 -10.675 18.628 1.00 1.35 C ATOM 1058 OE1 GLU A 68 3.982 -9.553 18.979 1.00 2.02 O ATOM 1059 OE2 GLU A 68 4.122 -11.681 19.294 1.00 1.55 O ATOM 0 H GLU A 68 2.756 -10.407 14.527 1.00 0.01 H new ATOM 0 HA GLU A 68 2.864 -8.879 17.064 1.00 0.01 H new ATOM 0 HB2 GLU A 68 5.439 -9.574 15.576 1.00 0.69 H new ATOM 0 HB3 GLU A 68 5.289 -8.702 17.088 1.00 0.69 H new ATOM 0 HG2 GLU A 68 4.497 -11.631 16.703 1.00 1.09 H new ATOM 0 HG3 GLU A 68 6.018 -11.098 17.391 1.00 1.09 H new ATOM 1066 N TYR A 69 3.464 -6.825 15.560 1.00 0.02 N ATOM 1067 CA TYR A 69 3.445 -5.681 14.610 1.00 0.02 C ATOM 1068 C TYR A 69 4.650 -5.729 13.666 1.00 0.01 C ATOM 1069 O TYR A 69 4.546 -5.415 12.498 1.00 0.01 O ATOM 1070 CB TYR A 69 3.380 -4.357 15.389 1.00 0.02 C ATOM 1071 CG TYR A 69 4.751 -3.956 15.893 1.00 0.02 C ATOM 1072 CD1 TYR A 69 5.283 -4.563 17.036 1.00 0.02 C ATOM 1073 CD2 TYR A 69 5.480 -2.965 15.224 1.00 0.02 C ATOM 1074 CE1 TYR A 69 6.543 -4.179 17.512 1.00 0.02 C ATOM 1075 CE2 TYR A 69 6.741 -2.584 15.697 1.00 0.02 C ATOM 1076 CZ TYR A 69 7.272 -3.189 16.842 1.00 0.02 C ATOM 1077 OH TYR A 69 8.514 -2.812 17.310 1.00 0.01 O ATOM 0 H TYR A 69 3.514 -6.570 16.546 1.00 0.02 H new ATOM 0 HA TYR A 69 2.553 -5.752 13.987 1.00 0.02 H new ATOM 0 HB2 TYR A 69 2.981 -3.572 14.747 1.00 0.02 H new ATOM 0 HB3 TYR A 69 2.695 -4.459 16.231 1.00 0.02 H new ATOM 0 HD1 TYR A 69 4.722 -5.328 17.552 1.00 0.02 H new ATOM 0 HD2 TYR A 69 5.069 -2.495 14.343 1.00 0.02 H new ATOM 0 HE1 TYR A 69 6.952 -4.646 18.396 1.00 0.02 H new ATOM 0 HE2 TYR A 69 7.305 -1.823 15.178 1.00 0.02 H new ATOM 0 HH TYR A 69 9.150 -3.546 17.178 1.00 0.01 H new ATOM 1087 N GLN A 70 5.795 -6.123 14.159 1.00 0.01 N ATOM 1088 CA GLN A 70 7.002 -6.200 13.287 1.00 0.02 C ATOM 1089 C GLN A 70 6.760 -7.175 12.130 1.00 0.01 C ATOM 1090 O GLN A 70 7.375 -7.088 11.086 1.00 0.02 O ATOM 1091 CB GLN A 70 8.190 -6.702 14.110 1.00 0.01 C ATOM 1092 CG GLN A 70 8.373 -5.815 15.341 1.00 0.01 C ATOM 1093 CD GLN A 70 9.750 -6.069 15.955 1.00 0.02 C ATOM 1094 OE1 GLN A 70 10.227 -5.286 16.752 1.00 0.01 O ATOM 1095 NE2 GLN A 70 10.413 -7.140 15.615 1.00 0.02 N ATOM 0 H GLN A 70 5.946 -6.395 15.130 1.00 0.01 H new ATOM 0 HA GLN A 70 7.210 -5.207 12.887 1.00 0.02 H new ATOM 0 HB2 GLN A 70 8.023 -7.735 14.415 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.096 -6.691 13.504 1.00 0.01 H new ATOM 0 HG2 GLN A 70 8.275 -4.765 15.063 1.00 0.01 H new ATOM 0 HG3 GLN A 70 7.593 -6.025 16.073 1.00 0.01 H new ATOM 0 HE21 GLN A 70 10.012 -7.797 14.946 1.00 0.02 H new ATOM 0 HE22 GLN A 70 11.332 -7.320 16.018 1.00 0.02 H new ATOM 1104 N ARG A 71 5.847 -8.096 12.313 1.00 0.01 N ATOM 1105 CA ARG A 71 5.542 -9.070 11.228 1.00 0.02 C ATOM 1106 C ARG A 71 4.800 -8.331 10.117 1.00 0.01 C ATOM 1107 O ARG A 71 4.716 -8.772 8.988 1.00 0.02 O ATOM 1108 CB ARG A 71 4.673 -10.209 11.773 1.00 0.34 C ATOM 1109 CG ARG A 71 4.642 -11.375 10.768 1.00 0.72 C ATOM 1110 CD ARG A 71 5.925 -12.233 10.882 1.00 1.04 C ATOM 1111 NE ARG A 71 6.489 -12.501 9.517 1.00 1.67 N ATOM 1112 CZ ARG A 71 5.727 -12.900 8.530 1.00 2.47 C ATOM 1113 NH1 ARG A 71 4.463 -13.154 8.732 1.00 2.54 N ATOM 1114 NH2 ARG A 71 6.240 -13.067 7.342 1.00 3.42 N ATOM 0 H ARG A 71 5.302 -8.213 13.167 1.00 0.01 H new ATOM 0 HA ARG A 71 6.465 -9.500 10.840 1.00 0.02 H new ATOM 0 HB2 ARG A 71 5.067 -10.553 12.729 1.00 0.34 H new ATOM 0 HB3 ARG A 71 3.661 -9.849 11.956 1.00 0.34 H new ATOM 0 HG2 ARG A 71 3.766 -11.997 10.952 1.00 0.72 H new ATOM 0 HG3 ARG A 71 4.549 -10.985 9.754 1.00 0.72 H new ATOM 0 HD2 ARG A 71 6.664 -11.716 11.494 1.00 1.04 H new ATOM 0 HD3 ARG A 71 5.699 -13.175 11.382 1.00 1.04 H new ATOM 0 HE ARG A 71 7.487 -12.369 9.355 1.00 1.67 H new ATOM 0 HH11 ARG A 71 4.063 -13.042 9.664 1.00 2.54 H new ATOM 0 HH12 ARG A 71 3.875 -13.464 7.958 1.00 2.54 H new ATOM 0 HH21 ARG A 71 7.232 -12.887 7.185 1.00 3.42 H new ATOM 0 HH22 ARG A 71 5.649 -13.378 6.571 1.00 3.42 H new ATOM 1128 N TRP A 72 4.257 -7.194 10.459 1.00 0.02 N ATOM 1129 CA TRP A 72 3.497 -6.358 9.486 1.00 0.01 C ATOM 1130 C TRP A 72 4.388 -5.161 9.122 1.00 0.01 C ATOM 1131 O TRP A 72 3.976 -4.230 8.463 1.00 0.02 O ATOM 1132 CB TRP A 72 2.196 -5.925 10.203 1.00 0.02 C ATOM 1133 CG TRP A 72 1.725 -4.564 9.782 1.00 0.01 C ATOM 1134 CD1 TRP A 72 1.389 -4.196 8.525 1.00 0.01 C ATOM 1135 CD2 TRP A 72 1.508 -3.394 10.622 1.00 0.02 C ATOM 1136 NE1 TRP A 72 0.993 -2.871 8.542 1.00 0.02 N ATOM 1137 CE2 TRP A 72 1.051 -2.334 9.810 1.00 0.02 C ATOM 1138 CE3 TRP A 72 1.669 -3.153 11.999 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 0.763 -1.077 10.341 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 1.378 -1.889 12.538 1.00 0.02 C ATOM 1141 CH2 TRP A 72 0.928 -0.854 11.710 1.00 0.02 C ATOM 0 H TRP A 72 4.310 -6.800 11.398 1.00 0.02 H new ATOM 0 HA TRP A 72 3.236 -6.880 8.565 1.00 0.01 H new ATOM 0 HB2 TRP A 72 1.413 -6.655 9.997 1.00 0.02 H new ATOM 0 HB3 TRP A 72 2.361 -5.930 11.280 1.00 0.02 H new ATOM 0 HD1 TRP A 72 1.424 -4.831 7.652 1.00 0.01 H new ATOM 0 HE1 TRP A 72 0.694 -2.353 7.715 1.00 0.02 H new ATOM 0 HE3 TRP A 72 2.018 -3.945 12.645 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 0.415 -0.282 9.698 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 1.502 -1.715 13.597 1.00 0.02 H new ATOM 0 HH2 TRP A 72 0.708 0.117 12.129 1.00 0.02 H new ATOM 1152 N MET A 73 5.615 -5.204 9.563 1.00 0.02 N ATOM 1153 CA MET A 73 6.579 -4.100 9.277 1.00 0.02 C ATOM 1154 C MET A 73 6.059 -2.777 9.849 1.00 0.01 C ATOM 1155 O MET A 73 6.445 -1.706 9.423 1.00 0.02 O ATOM 1156 CB MET A 73 6.785 -3.952 7.762 1.00 0.02 C ATOM 1157 CG MET A 73 7.085 -5.320 7.120 1.00 0.01 C ATOM 1158 SD MET A 73 5.539 -6.091 6.576 1.00 0.01 S ATOM 1159 CE MET A 73 6.271 -7.572 5.836 1.00 0.01 C ATOM 0 H MET A 73 5.998 -5.969 10.118 1.00 0.02 H new ATOM 0 HA MET A 73 7.530 -4.347 9.748 1.00 0.02 H new ATOM 0 HB2 MET A 73 5.893 -3.519 7.309 1.00 0.02 H new ATOM 0 HB3 MET A 73 7.608 -3.264 7.567 1.00 0.02 H new ATOM 0 HG2 MET A 73 7.758 -5.195 6.272 1.00 0.01 H new ATOM 0 HG3 MET A 73 7.592 -5.966 7.837 1.00 0.01 H new ATOM 0 HE1 MET A 73 5.481 -8.204 5.429 1.00 0.01 H new ATOM 0 HE2 MET A 73 6.951 -7.281 5.035 1.00 0.01 H new ATOM 0 HE3 MET A 73 6.822 -8.125 6.597 1.00 0.01 H new ATOM 1169 N GLY A 74 5.181 -2.852 10.812 1.00 0.02 N ATOM 1170 CA GLY A 74 4.632 -1.610 11.415 1.00 0.02 C ATOM 1171 C GLY A 74 5.776 -0.786 12.000 1.00 0.01 C ATOM 1172 O GLY A 74 6.711 -1.320 12.562 1.00 0.01 O ATOM 0 H GLY A 74 4.822 -3.722 11.206 1.00 0.02 H new ATOM 0 HA2 GLY A 74 4.099 -1.030 10.661 1.00 0.02 H new ATOM 0 HA3 GLY A 74 3.911 -1.858 12.194 1.00 0.02 H new ATOM 1176 N LEU A 75 5.692 0.512 11.914 1.00 0.02 N ATOM 1177 CA LEU A 75 6.762 1.357 12.518 1.00 0.02 C ATOM 1178 C LEU A 75 6.505 1.409 14.029 1.00 0.01 C ATOM 1179 O LEU A 75 7.416 1.490 14.828 1.00 0.02 O ATOM 1180 CB LEU A 75 6.718 2.763 11.909 1.00 0.55 C ATOM 1181 CG LEU A 75 7.674 3.701 12.663 1.00 0.58 C ATOM 1182 CD1 LEU A 75 9.086 3.099 12.693 1.00 0.98 C ATOM 1183 CD2 LEU A 75 7.708 5.056 11.951 1.00 0.42 C ATOM 0 H LEU A 75 4.936 1.022 11.456 1.00 0.02 H new ATOM 0 HA LEU A 75 7.750 0.941 12.320 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.996 2.719 10.856 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.702 3.155 11.955 1.00 0.55 H new ATOM 0 HG LEU A 75 7.324 3.829 13.687 1.00 0.58 H new ATOM 0 HD11 LEU A 75 9.757 3.771 13.229 1.00 0.98 H new ATOM 0 HD12 LEU A 75 9.059 2.133 13.198 1.00 0.98 H new ATOM 0 HD13 LEU A 75 9.446 2.965 11.673 1.00 0.98 H new ATOM 0 HD21 LEU A 75 8.384 5.728 12.480 1.00 0.42 H new ATOM 0 HD22 LEU A 75 8.058 4.921 10.928 1.00 0.42 H new ATOM 0 HD23 LEU A 75 6.706 5.486 11.938 1.00 0.42 H new ATOM 1195 N ASN A 76 5.258 1.329 14.417 1.00 0.01 N ATOM 1196 CA ASN A 76 4.880 1.332 15.853 1.00 0.02 C ATOM 1197 C ASN A 76 3.517 0.644 15.938 1.00 0.02 C ATOM 1198 O ASN A 76 3.045 0.093 14.964 1.00 0.02 O ATOM 1199 CB ASN A 76 4.782 2.769 16.367 1.00 0.02 C ATOM 1200 CG ASN A 76 3.918 3.597 15.412 1.00 0.02 C ATOM 1201 OD1 ASN A 76 3.283 3.057 14.526 1.00 0.01 O ATOM 1202 ND2 ASN A 76 3.868 4.893 15.554 1.00 0.02 N ATOM 0 H ASN A 76 4.468 1.260 13.776 1.00 0.01 H new ATOM 0 HA ASN A 76 5.622 0.816 16.462 1.00 0.02 H new ATOM 0 HB2 ASN A 76 4.349 2.780 17.367 1.00 0.02 H new ATOM 0 HB3 ASN A 76 5.777 3.207 16.446 1.00 0.02 H new ATOM 0 HD21 ASN A 76 3.296 5.454 14.922 1.00 0.02 H new ATOM 0 HD22 ASN A 76 4.401 5.346 16.297 1.00 0.02 H new ATOM 1209 N ASP A 77 2.879 0.649 17.078 1.00 0.01 N ATOM 1210 CA ASP A 77 1.551 -0.033 17.191 1.00 0.01 C ATOM 1211 C ASP A 77 0.417 0.983 17.043 1.00 0.01 C ATOM 1212 O ASP A 77 -0.658 0.795 17.577 1.00 0.01 O ATOM 1213 CB ASP A 77 1.448 -0.698 18.566 1.00 0.01 C ATOM 1214 CG ASP A 77 2.664 -1.599 18.785 1.00 0.01 C ATOM 1215 OD1 ASP A 77 2.861 -2.500 17.987 1.00 0.01 O ATOM 1216 OD2 ASP A 77 3.381 -1.371 19.746 1.00 0.02 O ATOM 0 H ASP A 77 3.215 1.092 17.933 1.00 0.01 H new ATOM 0 HA ASP A 77 1.466 -0.779 16.401 1.00 0.01 H new ATOM 0 HB2 ASP A 77 1.398 0.061 19.347 1.00 0.01 H new ATOM 0 HB3 ASP A 77 0.531 -1.283 18.632 1.00 0.01 H new ATOM 1221 N ARG A 78 0.642 2.065 16.337 1.00 0.01 N ATOM 1222 CA ARG A 78 -0.433 3.096 16.182 1.00 0.01 C ATOM 1223 C ARG A 78 -1.198 2.888 14.871 1.00 0.02 C ATOM 1224 O ARG A 78 -0.634 2.923 13.796 1.00 0.02 O ATOM 1225 CB ARG A 78 0.198 4.494 16.207 1.00 0.43 C ATOM 1226 CG ARG A 78 -0.899 5.572 16.291 1.00 0.80 C ATOM 1227 CD ARG A 78 -1.408 5.729 17.746 1.00 1.00 C ATOM 1228 NE ARG A 78 -2.908 5.734 17.768 1.00 1.30 N ATOM 1229 CZ ARG A 78 -3.596 6.465 16.931 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -2.990 7.284 16.117 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -4.899 6.397 16.930 1.00 3.20 N ATOM 0 H ARG A 78 1.520 2.279 15.863 1.00 0.01 H new ATOM 0 HA ARG A 78 -1.139 2.998 17.007 1.00 0.01 H new ATOM 0 HB2 ARG A 78 0.871 4.582 17.060 1.00 0.43 H new ATOM 0 HB3 ARG A 78 0.799 4.646 15.310 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -0.507 6.524 15.934 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -1.729 5.304 15.638 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -1.030 4.913 18.362 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -1.027 6.656 18.175 1.00 1.00 H new ATOM 0 HE ARG A 78 -3.400 5.156 18.449 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -1.973 7.357 16.131 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -3.533 7.851 15.466 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -5.378 5.775 17.581 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -5.439 6.966 16.278 1.00 3.20 H new ATOM 1245 N LEU A 79 -2.489 2.701 14.959 1.00 0.01 N ATOM 1246 CA LEU A 79 -3.333 2.525 13.738 1.00 0.01 C ATOM 1247 C LEU A 79 -4.686 3.190 14.010 1.00 0.01 C ATOM 1248 O LEU A 79 -5.364 2.850 14.960 1.00 0.02 O ATOM 1249 CB LEU A 79 -3.531 1.032 13.454 1.00 1.04 C ATOM 1250 CG LEU A 79 -2.266 0.443 12.804 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -2.446 -1.072 12.645 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -2.014 1.087 11.419 1.00 2.61 C ATOM 0 H LEU A 79 -3.003 2.662 15.839 1.00 0.01 H new ATOM 0 HA LEU A 79 -2.853 2.978 12.870 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -3.752 0.504 14.382 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -4.387 0.890 12.795 1.00 1.04 H new ATOM 0 HG LEU A 79 -1.407 0.652 13.441 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -1.554 -1.498 12.185 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -2.601 -1.525 13.624 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -3.311 -1.271 12.012 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -1.116 0.657 10.976 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -2.867 0.895 10.768 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -1.882 2.163 11.536 1.00 2.61 H new ATOM 1264 N GLY A 80 -5.062 4.166 13.217 1.00 0.02 N ATOM 1265 CA GLY A 80 -6.354 4.898 13.466 1.00 0.02 C ATOM 1266 C GLY A 80 -7.430 4.570 12.421 1.00 0.02 C ATOM 1267 O GLY A 80 -8.602 4.834 12.636 1.00 0.01 O ATOM 0 H GLY A 80 -4.533 4.490 12.407 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -6.727 4.643 14.458 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -6.165 5.972 13.463 1.00 0.02 H new ATOM 1271 N SER A 81 -7.076 3.998 11.301 1.00 0.01 N ATOM 1272 CA SER A 81 -8.121 3.681 10.282 1.00 0.01 C ATOM 1273 C SER A 81 -7.647 2.549 9.374 1.00 0.02 C ATOM 1274 O SER A 81 -6.466 2.304 9.220 1.00 0.01 O ATOM 1275 CB SER A 81 -8.403 4.924 9.440 1.00 0.01 C ATOM 1276 OG SER A 81 -7.293 5.176 8.590 1.00 0.01 O ATOM 0 H SER A 81 -6.122 3.739 11.049 1.00 0.01 H new ATOM 0 HA SER A 81 -9.031 3.367 10.793 1.00 0.01 H new ATOM 0 HB2 SER A 81 -9.305 4.778 8.846 1.00 0.01 H new ATOM 0 HB3 SER A 81 -8.583 5.783 10.087 1.00 0.01 H new ATOM 0 HG SER A 81 -6.829 5.985 8.890 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.577 1.859 8.766 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.216 0.735 7.852 1.00 0.01 C ATOM 1284 C CYS A 82 -9.211 0.684 6.691 1.00 0.01 C ATOM 1285 O CYS A 82 -10.369 1.022 6.838 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.261 -0.589 8.619 1.00 0.01 C ATOM 1287 SG CYS A 82 -7.192 -0.482 10.074 1.00 0.02 S ATOM 0 H CYS A 82 -9.578 2.028 8.864 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.209 0.894 7.465 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -9.284 -0.811 8.922 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -7.935 -1.406 7.975 1.00 0.01 H new ATOM 0 HG CYS A 82 -7.128 -1.645 10.652 1.00 0.02 H new ATOM 1293 N ARG A 83 -8.769 0.257 5.538 1.00 0.01 N ATOM 1294 CA ARG A 83 -9.686 0.174 4.357 1.00 0.01 C ATOM 1295 C ARG A 83 -9.448 -1.146 3.631 1.00 0.01 C ATOM 1296 O ARG A 83 -8.329 -1.602 3.492 1.00 0.01 O ATOM 1297 CB ARG A 83 -9.369 1.314 3.386 1.00 0.01 C ATOM 1298 CG ARG A 83 -9.809 2.652 3.991 1.00 0.01 C ATOM 1299 CD ARG A 83 -9.110 3.801 3.255 1.00 0.01 C ATOM 1300 NE ARG A 83 -8.948 3.443 1.818 1.00 0.01 N ATOM 1301 CZ ARG A 83 -8.646 4.365 0.945 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -8.481 5.600 1.332 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -8.506 4.051 -0.315 1.00 0.01 N ATOM 0 H ARG A 83 -7.809 -0.040 5.360 1.00 0.01 H new ATOM 0 HA ARG A 83 -10.719 0.243 4.698 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -8.300 1.335 3.173 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -9.880 1.148 2.438 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -10.891 2.760 3.912 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -9.562 2.682 5.052 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -9.694 4.716 3.349 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -8.136 3.996 3.704 1.00 0.01 H new ATOM 0 HE ARG A 83 -9.073 2.477 1.516 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -8.588 5.845 2.316 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -8.245 6.321 0.650 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -8.633 3.085 -0.617 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -8.270 4.772 -0.997 1.00 0.01 H new ATOM 1317 N ALA A 84 -10.497 -1.767 3.162 1.00 0.01 N ATOM 1318 CA ALA A 84 -10.339 -3.055 2.442 1.00 0.01 C ATOM 1319 C ALA A 84 -9.881 -2.773 1.014 1.00 0.01 C ATOM 1320 O ALA A 84 -10.446 -1.957 0.312 1.00 0.00 O ATOM 1321 CB ALA A 84 -11.679 -3.794 2.396 1.00 0.43 C ATOM 0 H ALA A 84 -11.457 -1.434 3.249 1.00 0.01 H new ATOM 0 HA ALA A 84 -9.604 -3.670 2.961 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -11.556 -4.738 1.866 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -12.021 -3.990 3.412 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -12.415 -3.180 1.877 1.00 0.43 H new ATOM 1327 N VAL A 85 -8.875 -3.470 0.579 1.00 0.01 N ATOM 1328 CA VAL A 85 -8.372 -3.292 -0.808 1.00 0.01 C ATOM 1329 C VAL A 85 -9.109 -4.274 -1.713 1.00 0.01 C ATOM 1330 O VAL A 85 -9.097 -5.467 -1.483 1.00 0.01 O ATOM 1331 CB VAL A 85 -6.868 -3.564 -0.853 1.00 0.98 C ATOM 1332 CG1 VAL A 85 -6.316 -3.178 -2.228 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -6.172 -2.729 0.223 1.00 1.12 C ATOM 0 H VAL A 85 -8.373 -4.165 1.132 1.00 0.01 H new ATOM 0 HA VAL A 85 -8.548 -2.270 -1.145 1.00 0.01 H new ATOM 0 HB VAL A 85 -6.686 -4.624 -0.674 1.00 0.98 H new ATOM 0 HG11 VAL A 85 -5.244 -3.373 -2.257 1.00 1.25 H new ATOM 0 HG12 VAL A 85 -6.813 -3.768 -2.998 1.00 1.25 H new ATOM 0 HG13 VAL A 85 -6.497 -2.118 -2.408 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -5.099 -2.920 0.194 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -6.357 -1.671 0.039 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -6.563 -3.000 1.204 1.00 1.12 H new ATOM 1343 N HIS A 86 -9.745 -3.796 -2.744 1.00 0.01 N ATOM 1344 CA HIS A 86 -10.471 -4.715 -3.661 1.00 0.01 C ATOM 1345 C HIS A 86 -9.501 -5.157 -4.745 1.00 0.01 C ATOM 1346 O HIS A 86 -8.773 -4.365 -5.310 1.00 0.00 O ATOM 1347 CB HIS A 86 -11.646 -3.971 -4.297 1.00 0.21 C ATOM 1348 CG HIS A 86 -12.417 -3.254 -3.222 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -12.819 -1.935 -3.353 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -12.861 -3.662 -1.989 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -13.474 -1.598 -2.226 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -13.529 -2.615 -1.362 1.00 1.71 N ATOM 0 H HIS A 86 -9.793 -2.808 -2.991 1.00 0.01 H new ATOM 0 HA HIS A 86 -10.851 -5.579 -3.117 1.00 0.01 H new ATOM 0 HB2 HIS A 86 -11.283 -3.258 -5.038 1.00 0.21 H new ATOM 0 HB3 HIS A 86 -12.295 -4.672 -4.821 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -12.714 -4.646 -1.569 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -13.903 -0.624 -2.043 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -13.967 -2.622 -0.441 1.00 1.71 H new ATOM 1360 N LEU A 87 -9.478 -6.431 -5.031 1.00 0.01 N ATOM 1361 CA LEU A 87 -8.552 -6.964 -6.068 1.00 0.01 C ATOM 1362 C LEU A 87 -9.326 -7.184 -7.365 1.00 0.01 C ATOM 1363 O LEU A 87 -10.431 -7.687 -7.357 1.00 0.01 O ATOM 1364 CB LEU A 87 -7.976 -8.308 -5.587 1.00 0.67 C ATOM 1365 CG LEU A 87 -7.714 -8.256 -4.080 1.00 1.25 C ATOM 1366 CD1 LEU A 87 -7.092 -9.577 -3.628 1.00 1.63 C ATOM 1367 CD2 LEU A 87 -6.752 -7.111 -3.773 1.00 1.34 C ATOM 0 H LEU A 87 -10.069 -7.132 -4.584 1.00 0.01 H new ATOM 0 HA LEU A 87 -7.741 -6.256 -6.239 1.00 0.01 H new ATOM 0 HB2 LEU A 87 -8.673 -9.114 -5.816 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -7.050 -8.527 -6.118 1.00 0.67 H new ATOM 0 HG LEU A 87 -8.653 -8.095 -3.551 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -6.904 -9.542 -2.555 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -7.776 -10.396 -3.851 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -6.152 -9.736 -4.156 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -6.564 -7.072 -2.700 1.00 1.34 H new ATOM 0 HD22 LEU A 87 -5.812 -7.274 -4.301 1.00 1.34 H new ATOM 0 HD23 LEU A 87 -7.192 -6.169 -4.099 1.00 1.34 H new ATOM 1379 N SER A 88 -8.734 -6.854 -8.484 1.00 0.01 N ATOM 1380 CA SER A 88 -9.393 -7.080 -9.804 1.00 0.01 C ATOM 1381 C SER A 88 -8.619 -8.180 -10.526 1.00 0.01 C ATOM 1382 O SER A 88 -7.441 -8.024 -10.778 1.00 0.01 O ATOM 1383 CB SER A 88 -9.359 -5.789 -10.623 1.00 0.81 C ATOM 1384 OG SER A 88 -8.082 -5.653 -11.231 1.00 1.08 O ATOM 0 H SER A 88 -7.807 -6.431 -8.539 1.00 0.01 H new ATOM 0 HA SER A 88 -10.434 -7.375 -9.671 1.00 0.01 H new ATOM 0 HB2 SER A 88 -10.138 -5.808 -11.386 1.00 0.81 H new ATOM 0 HB3 SER A 88 -9.562 -4.932 -9.981 1.00 0.81 H new ATOM 0 HG SER A 88 -7.447 -6.260 -10.797 1.00 1.08 H new ATOM 1390 N SER A 89 -9.252 -9.262 -10.910 1.00 0.01 N ATOM 1391 CA SER A 89 -8.517 -10.326 -11.670 1.00 0.01 C ATOM 1392 C SER A 89 -9.106 -10.383 -13.074 1.00 0.01 C ATOM 1393 O SER A 89 -10.310 -10.356 -13.230 1.00 0.01 O ATOM 1394 CB SER A 89 -8.695 -11.700 -11.021 1.00 0.43 C ATOM 1395 OG SER A 89 -7.973 -11.737 -9.797 1.00 1.26 O ATOM 0 H SER A 89 -10.238 -9.455 -10.733 1.00 0.01 H new ATOM 0 HA SER A 89 -7.454 -10.084 -11.680 1.00 0.01 H new ATOM 0 HB2 SER A 89 -9.752 -11.895 -10.839 1.00 0.43 H new ATOM 0 HB3 SER A 89 -8.337 -12.481 -11.692 1.00 0.43 H new ATOM 0 HG SER A 89 -8.086 -12.615 -9.377 1.00 1.26 H new ATOM 1401 N GLY A 90 -8.313 -10.414 -14.109 1.00 0.01 N ATOM 1402 CA GLY A 90 -8.946 -10.414 -15.470 1.00 0.00 C ATOM 1403 C GLY A 90 -8.010 -10.924 -16.586 1.00 0.00 C ATOM 1404 O GLY A 90 -8.417 -11.732 -17.397 1.00 0.01 O ATOM 0 H GLY A 90 -7.294 -10.439 -14.084 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -9.841 -11.036 -15.445 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.268 -9.401 -15.712 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.769 -10.488 -16.660 1.00 0.00 N ATOM 1409 CA GLY A 91 -5.894 -11.005 -17.746 1.00 0.00 C ATOM 1410 C GLY A 91 -4.423 -10.670 -17.473 1.00 0.00 C ATOM 1411 O GLY A 91 -3.783 -11.307 -16.660 1.00 0.01 O ATOM 0 H GLY A 91 -6.340 -9.812 -16.027 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.015 -12.085 -17.832 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.198 -10.573 -18.699 1.00 0.00 H new ATOM 1415 N GLN A 92 -3.879 -9.682 -18.145 1.00 1.80 N ATOM 1416 CA GLN A 92 -2.439 -9.307 -17.925 1.00 2.31 C ATOM 1417 C GLN A 92 -2.337 -7.853 -17.454 1.00 1.91 C ATOM 1418 O GLN A 92 -2.737 -6.930 -18.134 1.00 2.31 O ATOM 1419 CB GLN A 92 -1.666 -9.507 -19.231 1.00 2.11 C ATOM 1420 CG GLN A 92 -0.162 -9.454 -18.947 1.00 2.86 C ATOM 1421 CD GLN A 92 0.602 -9.308 -20.263 1.00 3.70 C ATOM 1422 OE1 GLN A 92 0.183 -8.584 -21.144 1.00 3.99 O ATOM 1423 NE2 GLN A 92 1.716 -9.966 -20.436 1.00 4.43 N ATOM 0 H GLN A 92 -4.369 -9.116 -18.838 1.00 1.80 H new ATOM 0 HA GLN A 92 -2.008 -9.943 -17.152 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -1.929 -10.465 -19.679 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -1.939 -8.734 -19.950 1.00 2.11 H new ATOM 0 HG2 GLN A 92 0.065 -8.616 -18.288 1.00 2.86 H new ATOM 0 HG3 GLN A 92 0.153 -10.360 -18.430 1.00 2.86 H new ATOM 0 HE21 GLN A 92 2.069 -10.574 -19.697 1.00 4.43 H new ATOM 0 HE22 GLN A 92 2.233 -9.872 -21.310 1.00 4.43 H new ATOM 1432 N ALA A 93 -1.806 -7.661 -16.272 1.00 0.01 N ATOM 1433 CA ALA A 93 -1.681 -6.279 -15.722 1.00 0.01 C ATOM 1434 C ALA A 93 -0.557 -5.543 -16.451 1.00 0.01 C ATOM 1435 O ALA A 93 0.535 -6.054 -16.612 1.00 0.01 O ATOM 1436 CB ALA A 93 -1.347 -6.350 -14.230 1.00 2.99 C ATOM 0 H ALA A 93 -1.454 -8.402 -15.666 1.00 0.01 H new ATOM 0 HA ALA A 93 -2.622 -5.748 -15.862 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -1.256 -5.341 -13.829 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -2.142 -6.879 -13.704 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -0.405 -6.881 -14.093 1.00 2.99 H new ATOM 1442 N LYS A 94 -0.826 -4.344 -16.901 1.00 0.00 N ATOM 1443 CA LYS A 94 0.203 -3.546 -17.638 1.00 0.01 C ATOM 1444 C LYS A 94 0.256 -2.121 -17.070 1.00 0.01 C ATOM 1445 O LYS A 94 -0.763 -1.509 -16.820 1.00 0.01 O ATOM 1446 CB LYS A 94 -0.207 -3.502 -19.113 1.00 2.49 C ATOM 1447 CG LYS A 94 0.960 -2.980 -19.963 1.00 3.43 C ATOM 1448 CD LYS A 94 0.447 -2.503 -21.336 1.00 4.11 C ATOM 1449 CE LYS A 94 -0.041 -1.050 -21.249 1.00 5.23 C ATOM 1450 NZ LYS A 94 -0.396 -0.564 -22.611 1.00 6.36 N ATOM 0 H LYS A 94 -1.726 -3.877 -16.788 1.00 0.00 H new ATOM 0 HA LYS A 94 1.188 -3.999 -17.530 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -0.497 -4.498 -19.449 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -1.077 -2.858 -19.239 1.00 2.49 H new ATOM 0 HG2 LYS A 94 1.456 -2.158 -19.447 1.00 3.43 H new ATOM 0 HG3 LYS A 94 1.702 -3.767 -20.097 1.00 3.43 H new ATOM 0 HD2 LYS A 94 1.243 -2.582 -22.076 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -0.366 -3.147 -21.672 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -0.907 -0.985 -20.591 1.00 5.23 H new ATOM 0 HE3 LYS A 94 0.736 -0.419 -20.817 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -0.727 0.420 -22.553 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 0.441 -0.612 -23.226 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -1.151 -1.160 -23.006 1.00 6.36 H new ATOM 1464 N ILE A 95 1.444 -1.590 -16.868 1.00 0.00 N ATOM 1465 CA ILE A 95 1.572 -0.197 -16.319 1.00 0.01 C ATOM 1466 C ILE A 95 2.491 0.619 -17.225 1.00 0.01 C ATOM 1467 O ILE A 95 3.466 0.121 -17.757 1.00 0.01 O ATOM 1468 CB ILE A 95 2.158 -0.246 -14.902 1.00 0.34 C ATOM 1469 CG1 ILE A 95 2.395 1.183 -14.402 1.00 0.30 C ATOM 1470 CG2 ILE A 95 3.484 -1.011 -14.903 1.00 0.36 C ATOM 1471 CD1 ILE A 95 2.616 1.168 -12.888 1.00 1.09 C ATOM 0 H ILE A 95 2.328 -2.061 -17.059 1.00 0.00 H new ATOM 0 HA ILE A 95 0.587 0.268 -16.281 1.00 0.01 H new ATOM 0 HB ILE A 95 1.455 -0.757 -14.244 1.00 0.34 H new ATOM 0 HG12 ILE A 95 3.262 1.615 -14.902 1.00 0.30 H new ATOM 0 HG13 ILE A 95 1.539 1.812 -14.648 1.00 0.30 H new ATOM 0 HG21 ILE A 95 3.889 -1.038 -13.891 1.00 0.36 H new ATOM 0 HG22 ILE A 95 3.316 -2.029 -15.254 1.00 0.36 H new ATOM 0 HG23 ILE A 95 4.192 -0.511 -15.564 1.00 0.36 H new ATOM 0 HD11 ILE A 95 2.784 2.185 -12.535 1.00 1.09 H new ATOM 0 HD12 ILE A 95 1.736 0.754 -12.396 1.00 1.09 H new ATOM 0 HD13 ILE A 95 3.485 0.554 -12.653 1.00 1.09 H new ATOM 1483 N GLN A 96 2.208 1.892 -17.365 1.00 0.01 N ATOM 1484 CA GLN A 96 3.076 2.794 -18.183 1.00 0.01 C ATOM 1485 C GLN A 96 3.558 3.923 -17.266 1.00 0.01 C ATOM 1486 O GLN A 96 2.774 4.501 -16.537 1.00 0.00 O ATOM 1487 CB GLN A 96 2.287 3.361 -19.365 1.00 0.53 C ATOM 1488 CG GLN A 96 0.881 3.721 -18.909 1.00 0.82 C ATOM 1489 CD GLN A 96 0.158 4.474 -20.027 1.00 1.25 C ATOM 1490 OE1 GLN A 96 0.729 5.341 -20.659 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -1.085 4.181 -20.295 1.00 2.05 N ATOM 0 H GLN A 96 1.401 2.349 -16.941 1.00 0.01 H new ATOM 0 HA GLN A 96 3.926 2.246 -18.589 1.00 0.01 H new ATOM 0 HB2 GLN A 96 2.789 4.243 -19.762 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.243 2.629 -20.172 1.00 0.53 H new ATOM 0 HG2 GLN A 96 0.329 2.818 -18.649 1.00 0.82 H new ATOM 0 HG3 GLN A 96 0.925 4.337 -18.011 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -1.563 3.453 -19.764 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -1.578 4.680 -21.035 1.00 2.05 H new ATOM 1500 N VAL A 97 4.828 4.245 -17.278 1.00 0.01 N ATOM 1501 CA VAL A 97 5.348 5.343 -16.394 1.00 0.01 C ATOM 1502 C VAL A 97 6.062 6.384 -17.257 1.00 0.01 C ATOM 1503 O VAL A 97 6.639 6.067 -18.278 1.00 0.01 O ATOM 1504 CB VAL A 97 6.339 4.758 -15.385 1.00 0.77 C ATOM 1505 CG1 VAL A 97 5.656 3.655 -14.571 1.00 1.10 C ATOM 1506 CG2 VAL A 97 7.538 4.169 -16.134 1.00 1.03 C ATOM 0 H VAL A 97 5.532 3.795 -17.863 1.00 0.01 H new ATOM 0 HA VAL A 97 4.519 5.809 -15.862 1.00 0.01 H new ATOM 0 HB VAL A 97 6.678 5.546 -14.712 1.00 0.77 H new ATOM 0 HG11 VAL A 97 6.364 3.241 -13.854 1.00 1.10 H new ATOM 0 HG12 VAL A 97 4.802 4.072 -14.038 1.00 1.10 H new ATOM 0 HG13 VAL A 97 5.315 2.866 -15.241 1.00 1.10 H new ATOM 0 HG21 VAL A 97 8.245 3.752 -15.417 1.00 1.03 H new ATOM 0 HG22 VAL A 97 7.196 3.382 -16.807 1.00 1.03 H new ATOM 0 HG23 VAL A 97 8.027 4.953 -16.712 1.00 1.03 H new ATOM 1516 N PHE A 98 5.997 7.635 -16.859 1.00 0.01 N ATOM 1517 CA PHE A 98 6.640 8.729 -17.662 1.00 0.01 C ATOM 1518 C PHE A 98 7.716 9.452 -16.846 1.00 0.01 C ATOM 1519 O PHE A 98 7.587 9.670 -15.657 1.00 0.01 O ATOM 1520 CB PHE A 98 5.566 9.725 -18.091 1.00 0.25 C ATOM 1521 CG PHE A 98 4.607 9.042 -19.038 1.00 0.36 C ATOM 1522 CD1 PHE A 98 3.589 8.227 -18.533 1.00 0.42 C ATOM 1523 CD2 PHE A 98 4.736 9.224 -20.421 1.00 0.58 C ATOM 1524 CE1 PHE A 98 2.699 7.593 -19.409 1.00 0.56 C ATOM 1525 CE2 PHE A 98 3.846 8.591 -21.297 1.00 0.73 C ATOM 1526 CZ PHE A 98 2.827 7.776 -20.790 1.00 0.69 C ATOM 0 H PHE A 98 5.525 7.947 -16.010 1.00 0.01 H new ATOM 0 HA PHE A 98 7.118 8.288 -18.537 1.00 0.01 H new ATOM 0 HB2 PHE A 98 5.030 10.099 -17.219 1.00 0.25 H new ATOM 0 HB3 PHE A 98 6.025 10.586 -18.577 1.00 0.25 H new ATOM 0 HD1 PHE A 98 3.489 8.086 -17.467 1.00 0.42 H new ATOM 0 HD2 PHE A 98 5.522 9.853 -20.812 1.00 0.58 H new ATOM 0 HE1 PHE A 98 1.914 6.963 -19.018 1.00 0.56 H new ATOM 0 HE2 PHE A 98 3.946 8.731 -22.363 1.00 0.73 H new ATOM 0 HZ PHE A 98 2.139 7.288 -21.465 1.00 0.69 H new ATOM 1536 N GLU A 99 8.793 9.790 -17.501 1.00 0.01 N ATOM 1537 CA GLU A 99 9.929 10.467 -16.807 1.00 0.01 C ATOM 1538 C GLU A 99 9.538 11.872 -16.329 1.00 0.01 C ATOM 1539 O GLU A 99 10.073 12.355 -15.351 1.00 0.01 O ATOM 1540 CB GLU A 99 11.116 10.579 -17.766 1.00 0.01 C ATOM 1541 CG GLU A 99 12.290 11.253 -17.052 1.00 0.01 C ATOM 1542 CD GLU A 99 13.573 11.028 -17.853 1.00 0.01 C ATOM 1543 OE1 GLU A 99 13.648 11.527 -18.965 1.00 0.02 O ATOM 1544 OE2 GLU A 99 14.459 10.363 -17.343 1.00 0.01 O ATOM 0 H GLU A 99 8.937 9.625 -18.497 1.00 0.01 H new ATOM 0 HA GLU A 99 10.197 9.869 -15.936 1.00 0.01 H new ATOM 0 HB2 GLU A 99 11.409 9.589 -18.115 1.00 0.01 H new ATOM 0 HB3 GLU A 99 10.832 11.156 -18.646 1.00 0.01 H new ATOM 0 HG2 GLU A 99 12.099 12.321 -16.944 1.00 0.01 H new ATOM 0 HG3 GLU A 99 12.400 10.846 -16.047 1.00 0.01 H new ATOM 1551 N LYS A 100 8.631 12.540 -17.006 1.00 0.01 N ATOM 1552 CA LYS A 100 8.232 13.928 -16.580 1.00 0.01 C ATOM 1553 C LYS A 100 6.762 13.946 -16.151 1.00 0.01 C ATOM 1554 O LYS A 100 6.034 12.993 -16.341 1.00 0.01 O ATOM 1555 CB LYS A 100 8.431 14.907 -17.745 1.00 0.94 C ATOM 1556 CG LYS A 100 9.877 14.833 -18.266 1.00 1.63 C ATOM 1557 CD LYS A 100 10.797 15.695 -17.395 1.00 2.19 C ATOM 1558 CE LYS A 100 12.217 15.665 -17.966 1.00 2.84 C ATOM 1559 NZ LYS A 100 12.180 16.007 -19.415 1.00 3.18 N ATOM 0 H LYS A 100 8.149 12.188 -17.833 1.00 0.01 H new ATOM 0 HA LYS A 100 8.856 14.229 -15.739 1.00 0.01 H new ATOM 0 HB2 LYS A 100 7.735 14.671 -18.550 1.00 0.94 H new ATOM 0 HB3 LYS A 100 8.207 15.922 -17.418 1.00 0.94 H new ATOM 0 HG2 LYS A 100 10.221 13.799 -18.259 1.00 1.63 H new ATOM 0 HG3 LYS A 100 9.917 15.176 -19.300 1.00 1.63 H new ATOM 0 HD2 LYS A 100 10.428 16.720 -17.362 1.00 2.19 H new ATOM 0 HD3 LYS A 100 10.798 15.324 -16.370 1.00 2.19 H new ATOM 0 HE2 LYS A 100 12.850 16.373 -17.431 1.00 2.84 H new ATOM 0 HE3 LYS A 100 12.655 14.677 -17.826 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 13.120 16.333 -19.719 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 11.911 15.165 -19.964 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 11.483 16.762 -19.576 1.00 3.18 H new ATOM 1573 N GLY A 101 6.335 15.024 -15.550 1.00 0.01 N ATOM 1574 CA GLY A 101 4.923 15.122 -15.073 1.00 0.01 C ATOM 1575 C GLY A 101 3.950 15.220 -16.251 1.00 0.00 C ATOM 1576 O GLY A 101 4.323 15.510 -17.370 1.00 0.01 O ATOM 0 H GLY A 101 6.908 15.848 -15.367 1.00 0.01 H new ATOM 0 HA2 GLY A 101 4.679 14.249 -14.467 1.00 0.01 H new ATOM 0 HA3 GLY A 101 4.812 15.996 -14.432 1.00 0.01 H new ATOM 1580 N ASP A 102 2.688 15.002 -15.978 1.00 0.01 N ATOM 1581 CA ASP A 102 1.636 15.098 -17.034 1.00 0.00 C ATOM 1582 C ASP A 102 1.929 14.155 -18.201 1.00 0.00 C ATOM 1583 O ASP A 102 1.693 14.470 -19.349 1.00 0.01 O ATOM 1584 CB ASP A 102 1.566 16.537 -17.548 1.00 0.01 C ATOM 1585 CG ASP A 102 1.599 17.503 -16.362 1.00 0.01 C ATOM 1586 OD1 ASP A 102 1.350 17.057 -15.253 1.00 0.01 O ATOM 1587 OD2 ASP A 102 1.874 18.671 -16.582 1.00 0.01 O ATOM 0 H ASP A 102 2.337 14.757 -15.052 1.00 0.01 H new ATOM 0 HA ASP A 102 0.682 14.807 -16.594 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.403 16.737 -18.217 1.00 0.01 H new ATOM 0 HB3 ASP A 102 0.654 16.684 -18.126 1.00 0.01 H new ATOM 1592 N PHE A 103 2.403 12.980 -17.899 1.00 0.01 N ATOM 1593 CA PHE A 103 2.677 11.974 -18.963 1.00 0.01 C ATOM 1594 C PHE A 103 3.552 12.567 -20.072 1.00 0.00 C ATOM 1595 O PHE A 103 3.213 12.501 -21.237 1.00 0.01 O ATOM 1596 CB PHE A 103 1.344 11.496 -19.557 1.00 0.01 C ATOM 1597 CG PHE A 103 0.301 11.425 -18.463 1.00 0.00 C ATOM 1598 CD1 PHE A 103 0.549 10.665 -17.313 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -0.912 12.117 -18.596 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -0.413 10.597 -16.298 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -1.872 12.047 -17.580 1.00 0.01 C ATOM 1602 CZ PHE A 103 -1.623 11.287 -16.431 1.00 0.01 C ATOM 0 H PHE A 103 2.615 12.670 -16.951 1.00 0.01 H new ATOM 0 HA PHE A 103 3.214 11.135 -18.520 1.00 0.01 H new ATOM 0 HB2 PHE A 103 1.018 12.179 -20.342 1.00 0.01 H new ATOM 0 HB3 PHE A 103 1.470 10.517 -20.019 1.00 0.01 H new ATOM 0 HD1 PHE A 103 1.482 10.131 -17.209 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -1.105 12.704 -19.482 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -0.221 10.011 -15.411 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -2.806 12.580 -17.682 1.00 0.01 H new ATOM 0 HZ PHE A 103 -2.364 11.233 -15.648 1.00 0.01 H new ATOM 1612 N ASN A 104 4.684 13.118 -19.723 1.00 0.00 N ATOM 1613 CA ASN A 104 5.611 13.693 -20.749 1.00 0.01 C ATOM 1614 C ASN A 104 7.008 13.126 -20.496 1.00 0.01 C ATOM 1615 O ASN A 104 7.270 12.551 -19.457 1.00 0.01 O ATOM 1616 CB ASN A 104 5.650 15.217 -20.620 1.00 1.68 C ATOM 1617 CG ASN A 104 4.305 15.797 -21.060 1.00 2.31 C ATOM 1618 OD1 ASN A 104 3.798 16.716 -20.448 1.00 3.15 O ATOM 1619 ND2 ASN A 104 3.704 15.295 -22.103 1.00 2.38 N ATOM 0 H ASN A 104 5.012 13.196 -18.760 1.00 0.00 H new ATOM 0 HA ASN A 104 5.268 13.434 -21.751 1.00 0.01 H new ATOM 0 HB2 ASN A 104 5.861 15.501 -19.589 1.00 1.68 H new ATOM 0 HB3 ASN A 104 6.453 15.625 -21.234 1.00 1.68 H new ATOM 0 HD21 ASN A 104 2.807 15.674 -22.406 1.00 2.38 H new ATOM 0 HD22 ASN A 104 4.131 14.524 -22.616 1.00 2.38 H new ATOM 1626 N GLY A 105 7.909 13.261 -21.434 1.00 0.01 N ATOM 1627 CA GLY A 105 9.285 12.713 -21.235 1.00 0.01 C ATOM 1628 C GLY A 105 9.350 11.300 -21.810 1.00 0.01 C ATOM 1629 O GLY A 105 8.480 10.886 -22.552 1.00 0.01 O ATOM 0 H GLY A 105 7.753 13.726 -22.328 1.00 0.01 H new ATOM 0 HA2 GLY A 105 10.019 13.352 -21.726 1.00 0.01 H new ATOM 0 HA3 GLY A 105 9.534 12.699 -20.174 1.00 0.01 H new ATOM 1633 N GLN A 106 10.356 10.542 -21.471 1.00 0.01 N ATOM 1634 CA GLN A 106 10.441 9.153 -21.997 1.00 0.01 C ATOM 1635 C GLN A 106 9.429 8.285 -21.251 1.00 0.01 C ATOM 1636 O GLN A 106 9.181 8.469 -20.074 1.00 0.01 O ATOM 1637 CB GLN A 106 11.853 8.606 -21.775 1.00 0.01 C ATOM 1638 CG GLN A 106 12.016 7.288 -22.536 1.00 0.01 C ATOM 1639 CD GLN A 106 12.043 7.568 -24.040 1.00 0.01 C ATOM 1640 OE1 GLN A 106 13.006 8.101 -24.553 1.00 0.01 O ATOM 1641 NE2 GLN A 106 11.018 7.228 -24.772 1.00 0.01 N ATOM 0 H GLN A 106 11.119 10.824 -20.855 1.00 0.01 H new ATOM 0 HA GLN A 106 10.221 9.144 -23.065 1.00 0.01 H new ATOM 0 HB2 GLN A 106 12.593 9.330 -22.117 1.00 0.01 H new ATOM 0 HB3 GLN A 106 12.030 8.448 -20.711 1.00 0.01 H new ATOM 0 HG2 GLN A 106 12.937 6.791 -22.231 1.00 0.01 H new ATOM 0 HG3 GLN A 106 11.195 6.613 -22.296 1.00 0.01 H new ATOM 0 HE21 GLN A 106 10.209 6.780 -24.341 1.00 0.01 H new ATOM 0 HE22 GLN A 106 11.025 7.410 -25.776 1.00 0.01 H new ATOM 1650 N MET A 107 8.834 7.347 -21.944 1.00 0.01 N ATOM 1651 CA MET A 107 7.816 6.452 -21.313 1.00 0.01 C ATOM 1652 C MET A 107 8.312 5.007 -21.331 1.00 0.01 C ATOM 1653 O MET A 107 8.918 4.554 -22.283 1.00 0.01 O ATOM 1654 CB MET A 107 6.506 6.539 -22.104 1.00 0.00 C ATOM 1655 CG MET A 107 5.443 5.637 -21.463 1.00 0.01 C ATOM 1656 SD MET A 107 5.663 3.935 -22.040 1.00 0.01 S ATOM 1657 CE MET A 107 4.634 4.064 -23.521 1.00 0.01 C ATOM 0 H MET A 107 9.012 7.161 -22.931 1.00 0.01 H new ATOM 0 HA MET A 107 7.652 6.767 -20.282 1.00 0.01 H new ATOM 0 HB2 MET A 107 6.154 7.570 -22.127 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.675 6.237 -23.138 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.525 5.677 -20.377 1.00 0.01 H new ATOM 0 HG3 MET A 107 4.446 5.993 -21.721 1.00 0.01 H new ATOM 0 HE1 MET A 107 4.626 3.107 -24.043 1.00 0.01 H new ATOM 0 HE2 MET A 107 3.616 4.329 -23.235 1.00 0.01 H new ATOM 0 HE3 MET A 107 5.038 4.833 -24.179 1.00 0.01 H new ATOM 1667 N TYR A 108 8.029 4.276 -20.285 1.00 0.01 N ATOM 1668 CA TYR A 108 8.436 2.840 -20.201 1.00 0.00 C ATOM 1669 C TYR A 108 7.215 2.021 -19.764 1.00 0.01 C ATOM 1670 O TYR A 108 6.469 2.415 -18.888 1.00 0.01 O ATOM 1671 CB TYR A 108 9.549 2.677 -19.164 1.00 0.54 C ATOM 1672 CG TYR A 108 10.801 3.365 -19.652 1.00 0.60 C ATOM 1673 CD1 TYR A 108 11.636 2.723 -20.574 1.00 1.24 C ATOM 1674 CD2 TYR A 108 11.125 4.642 -19.182 1.00 0.93 C ATOM 1675 CE1 TYR A 108 12.797 3.360 -21.025 1.00 1.76 C ATOM 1676 CE2 TYR A 108 12.287 5.279 -19.634 1.00 1.51 C ATOM 1677 CZ TYR A 108 13.122 4.638 -20.556 1.00 1.82 C ATOM 1678 OH TYR A 108 14.266 5.267 -21.002 1.00 2.48 O ATOM 0 H TYR A 108 7.523 4.620 -19.469 1.00 0.01 H new ATOM 0 HA TYR A 108 8.800 2.498 -21.170 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.236 3.102 -18.210 1.00 0.54 H new ATOM 0 HB3 TYR A 108 9.747 1.619 -18.992 1.00 0.54 H new ATOM 0 HD1 TYR A 108 11.384 1.737 -20.937 1.00 1.24 H new ATOM 0 HD2 TYR A 108 10.479 5.136 -18.471 1.00 0.93 H new ATOM 0 HE1 TYR A 108 13.443 2.865 -21.735 1.00 1.76 H new ATOM 0 HE2 TYR A 108 12.539 6.265 -19.271 1.00 1.51 H new ATOM 0 HH TYR A 108 14.285 6.188 -20.667 1.00 2.48 H new ATOM 1688 N GLU A 109 6.998 0.895 -20.396 1.00 0.01 N ATOM 1689 CA GLU A 109 5.812 0.033 -20.069 1.00 0.01 C ATOM 1690 C GLU A 109 6.285 -1.349 -19.616 1.00 0.01 C ATOM 1691 O GLU A 109 7.169 -1.935 -20.209 1.00 0.01 O ATOM 1692 CB GLU A 109 4.955 -0.093 -21.334 1.00 0.01 C ATOM 1693 CG GLU A 109 3.620 -0.763 -20.998 1.00 0.01 C ATOM 1694 CD GLU A 109 3.831 -2.265 -20.794 1.00 0.00 C ATOM 1695 OE1 GLU A 109 4.090 -2.946 -21.772 1.00 0.00 O ATOM 1696 OE2 GLU A 109 3.726 -2.710 -19.662 1.00 0.00 O ATOM 0 H GLU A 109 7.598 0.529 -21.135 1.00 0.01 H new ATOM 0 HA GLU A 109 5.229 0.478 -19.263 1.00 0.01 H new ATOM 0 HB2 GLU A 109 4.778 0.893 -21.763 1.00 0.01 H new ATOM 0 HB3 GLU A 109 5.485 -0.677 -22.086 1.00 0.01 H new ATOM 0 HG2 GLU A 109 3.197 -0.320 -20.096 1.00 0.01 H new ATOM 0 HG3 GLU A 109 2.905 -0.593 -21.803 1.00 0.01 H new ATOM 1703 N THR A 110 5.706 -1.879 -18.562 1.00 0.01 N ATOM 1704 CA THR A 110 6.139 -3.226 -18.080 1.00 0.00 C ATOM 1705 C THR A 110 4.970 -3.974 -17.423 1.00 0.01 C ATOM 1706 O THR A 110 4.034 -3.392 -16.909 1.00 0.01 O ATOM 1707 CB THR A 110 7.267 -3.072 -17.057 1.00 1.21 C ATOM 1708 OG1 THR A 110 7.606 -4.347 -16.530 1.00 1.65 O ATOM 1709 CG2 THR A 110 6.809 -2.154 -15.923 1.00 1.69 C ATOM 0 H THR A 110 4.960 -1.440 -18.022 1.00 0.01 H new ATOM 0 HA THR A 110 6.488 -3.798 -18.940 1.00 0.00 H new ATOM 0 HB THR A 110 8.140 -2.637 -17.543 1.00 1.21 H new ATOM 0 HG1 THR A 110 8.329 -4.249 -15.876 1.00 1.65 H new ATOM 0 HG21 THR A 110 7.613 -2.045 -15.195 1.00 1.69 H new ATOM 0 HG22 THR A 110 6.552 -1.175 -16.328 1.00 1.69 H new ATOM 0 HG23 THR A 110 5.935 -2.586 -15.436 1.00 1.69 H new ATOM 1717 N THR A 111 5.032 -5.279 -17.472 1.00 0.00 N ATOM 1718 CA THR A 111 3.955 -6.140 -16.882 1.00 0.01 C ATOM 1719 C THR A 111 4.498 -6.895 -15.664 1.00 0.01 C ATOM 1720 O THR A 111 3.851 -7.787 -15.150 1.00 0.01 O ATOM 1721 CB THR A 111 3.486 -7.147 -17.934 1.00 0.01 C ATOM 1722 OG1 THR A 111 4.381 -8.250 -17.962 1.00 0.01 O ATOM 1723 CG2 THR A 111 3.457 -6.476 -19.308 1.00 0.01 C ATOM 0 H THR A 111 5.797 -5.797 -17.904 1.00 0.00 H new ATOM 0 HA THR A 111 3.121 -5.512 -16.570 1.00 0.01 H new ATOM 0 HB THR A 111 2.485 -7.497 -17.682 1.00 0.01 H new ATOM 0 HG1 THR A 111 4.082 -8.897 -18.634 1.00 0.01 H new ATOM 0 HG21 THR A 111 3.123 -7.194 -20.057 1.00 0.01 H new ATOM 0 HG22 THR A 111 2.771 -5.630 -19.285 1.00 0.01 H new ATOM 0 HG23 THR A 111 4.457 -6.125 -19.563 1.00 0.01 H new ATOM 1731 N GLU A 112 5.691 -6.571 -15.217 1.00 0.01 N ATOM 1732 CA GLU A 112 6.295 -7.302 -14.049 1.00 0.01 C ATOM 1733 C GLU A 112 6.624 -6.342 -12.899 1.00 0.01 C ATOM 1734 O GLU A 112 6.711 -5.143 -13.077 1.00 0.01 O ATOM 1735 CB GLU A 112 7.583 -7.984 -14.508 1.00 0.85 C ATOM 1736 CG GLU A 112 7.317 -8.760 -15.798 1.00 1.61 C ATOM 1737 CD GLU A 112 8.559 -9.570 -16.172 1.00 2.51 C ATOM 1738 OE1 GLU A 112 9.591 -9.350 -15.557 1.00 3.21 O ATOM 1739 OE2 GLU A 112 8.458 -10.394 -17.064 1.00 3.07 O ATOM 0 H GLU A 112 6.274 -5.832 -15.610 1.00 0.01 H new ATOM 0 HA GLU A 112 5.573 -8.035 -13.689 1.00 0.01 H new ATOM 0 HB2 GLU A 112 8.362 -7.240 -14.673 1.00 0.85 H new ATOM 0 HB3 GLU A 112 7.946 -8.659 -13.733 1.00 0.85 H new ATOM 0 HG2 GLU A 112 6.463 -9.424 -15.666 1.00 1.61 H new ATOM 0 HG3 GLU A 112 7.063 -8.071 -16.604 1.00 1.61 H new ATOM 1746 N ASP A 113 6.836 -6.878 -11.724 1.00 0.01 N ATOM 1747 CA ASP A 113 7.196 -6.026 -10.550 1.00 0.01 C ATOM 1748 C ASP A 113 8.591 -5.447 -10.786 1.00 0.00 C ATOM 1749 O ASP A 113 9.386 -6.005 -11.516 1.00 0.01 O ATOM 1750 CB ASP A 113 7.226 -6.888 -9.287 1.00 0.01 C ATOM 1751 CG ASP A 113 8.201 -8.048 -9.482 1.00 0.01 C ATOM 1752 OD1 ASP A 113 9.339 -7.784 -9.835 1.00 0.00 O ATOM 1753 OD2 ASP A 113 7.795 -9.179 -9.277 1.00 0.00 O ATOM 0 H ASP A 113 6.775 -7.877 -11.526 1.00 0.01 H new ATOM 0 HA ASP A 113 6.464 -5.227 -10.429 1.00 0.01 H new ATOM 0 HB2 ASP A 113 7.528 -6.286 -8.430 1.00 0.01 H new ATOM 0 HB3 ASP A 113 6.228 -7.270 -9.072 1.00 0.01 H new ATOM 1758 N CYS A 114 8.904 -4.343 -10.146 1.00 0.01 N ATOM 1759 CA CYS A 114 10.265 -3.731 -10.294 1.00 0.01 C ATOM 1760 C CYS A 114 10.894 -3.556 -8.892 1.00 0.01 C ATOM 1761 O CYS A 114 10.415 -2.744 -8.121 1.00 0.01 O ATOM 1762 CB CYS A 114 10.123 -2.351 -10.934 1.00 0.01 C ATOM 1763 SG CYS A 114 11.733 -1.524 -10.946 1.00 0.01 S ATOM 0 H CYS A 114 8.272 -3.838 -9.525 1.00 0.01 H new ATOM 0 HA CYS A 114 10.892 -4.373 -10.913 1.00 0.01 H new ATOM 0 HB2 CYS A 114 9.744 -2.447 -11.951 1.00 0.01 H new ATOM 0 HB3 CYS A 114 9.399 -1.754 -10.379 1.00 0.01 H new ATOM 0 HG CYS A 114 12.251 -1.599 -12.136 1.00 0.01 H new ATOM 1769 N PRO A 115 11.960 -4.267 -8.544 1.00 0.01 N ATOM 1770 CA PRO A 115 12.584 -4.082 -7.204 1.00 0.01 C ATOM 1771 C PRO A 115 13.383 -2.774 -7.144 1.00 0.01 C ATOM 1772 O PRO A 115 13.556 -2.194 -6.093 1.00 0.01 O ATOM 1773 CB PRO A 115 13.497 -5.315 -7.088 1.00 0.01 C ATOM 1774 CG PRO A 115 13.687 -5.894 -8.502 1.00 0.01 C ATOM 1775 CD PRO A 115 12.607 -5.289 -9.422 1.00 0.01 C ATOM 0 HA PRO A 115 11.863 -4.006 -6.390 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.459 -5.039 -6.656 1.00 0.01 H new ATOM 0 HB3 PRO A 115 13.052 -6.059 -6.427 1.00 0.01 H new ATOM 0 HG2 PRO A 115 14.682 -5.658 -8.878 1.00 0.01 H new ATOM 0 HG3 PRO A 115 13.603 -6.981 -8.482 1.00 0.01 H new ATOM 0 HD2 PRO A 115 13.042 -4.839 -10.315 1.00 0.01 H new ATOM 0 HD3 PRO A 115 11.895 -6.042 -9.759 1.00 0.01 H new ATOM 1783 N SER A 116 13.891 -2.319 -8.258 1.00 0.01 N ATOM 1784 CA SER A 116 14.685 -1.055 -8.260 1.00 0.02 C ATOM 1785 C SER A 116 14.420 -0.302 -9.566 1.00 0.01 C ATOM 1786 O SER A 116 14.831 -0.714 -10.634 1.00 0.00 O ATOM 1787 CB SER A 116 16.172 -1.396 -8.139 1.00 0.01 C ATOM 1788 OG SER A 116 16.446 -2.567 -8.895 1.00 0.01 O ATOM 0 H SER A 116 13.791 -2.768 -9.168 1.00 0.01 H new ATOM 0 HA SER A 116 14.395 -0.426 -7.418 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.778 -0.565 -8.500 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.437 -1.553 -7.094 1.00 0.01 H new ATOM 0 HG SER A 116 16.799 -3.263 -8.303 1.00 0.01 H new ATOM 1794 N ILE A 117 13.705 0.787 -9.476 1.00 0.01 N ATOM 1795 CA ILE A 117 13.364 1.580 -10.689 1.00 0.01 C ATOM 1796 C ILE A 117 14.633 2.120 -11.348 1.00 0.01 C ATOM 1797 O ILE A 117 14.727 2.168 -12.558 1.00 0.00 O ATOM 1798 CB ILE A 117 12.465 2.751 -10.274 1.00 0.57 C ATOM 1799 CG1 ILE A 117 11.091 2.215 -9.864 1.00 1.44 C ATOM 1800 CG2 ILE A 117 12.299 3.732 -11.439 1.00 0.93 C ATOM 1801 CD1 ILE A 117 10.295 3.324 -9.171 1.00 1.83 C ATOM 0 H ILE A 117 13.339 1.164 -8.602 1.00 0.01 H new ATOM 0 HA ILE A 117 12.847 0.941 -11.405 1.00 0.01 H new ATOM 0 HB ILE A 117 12.926 3.272 -9.435 1.00 0.57 H new ATOM 0 HG12 ILE A 117 10.551 1.860 -10.742 1.00 1.44 H new ATOM 0 HG13 ILE A 117 11.207 1.363 -9.194 1.00 1.44 H new ATOM 0 HG21 ILE A 117 11.659 4.558 -11.130 1.00 0.93 H new ATOM 0 HG22 ILE A 117 13.275 4.119 -11.731 1.00 0.93 H new ATOM 0 HG23 ILE A 117 11.845 3.218 -12.286 1.00 0.93 H new ATOM 0 HD11 ILE A 117 9.317 2.942 -8.879 1.00 1.83 H new ATOM 0 HD12 ILE A 117 10.833 3.658 -8.284 1.00 1.83 H new ATOM 0 HD13 ILE A 117 10.168 4.163 -9.856 1.00 1.83 H new ATOM 1813 N MET A 118 15.589 2.555 -10.577 1.00 0.02 N ATOM 1814 CA MET A 118 16.817 3.120 -11.196 1.00 0.01 C ATOM 1815 C MET A 118 17.602 2.022 -11.908 1.00 0.01 C ATOM 1816 O MET A 118 18.169 2.244 -12.955 1.00 0.02 O ATOM 1817 CB MET A 118 17.696 3.780 -10.133 1.00 0.24 C ATOM 1818 CG MET A 118 18.823 4.555 -10.818 1.00 0.63 C ATOM 1819 SD MET A 118 19.768 5.471 -9.577 1.00 1.20 S ATOM 1820 CE MET A 118 20.879 6.326 -10.723 1.00 1.34 C ATOM 0 H MET A 118 15.574 2.544 -9.557 1.00 0.02 H new ATOM 0 HA MET A 118 16.520 3.874 -11.924 1.00 0.01 H new ATOM 0 HB2 MET A 118 17.099 4.453 -9.517 1.00 0.24 H new ATOM 0 HB3 MET A 118 18.112 3.023 -9.468 1.00 0.24 H new ATOM 0 HG2 MET A 118 19.477 3.868 -11.354 1.00 0.63 H new ATOM 0 HG3 MET A 118 18.409 5.243 -11.556 1.00 0.63 H new ATOM 0 HE1 MET A 118 21.564 6.961 -10.161 1.00 1.34 H new ATOM 0 HE2 MET A 118 21.450 5.592 -11.292 1.00 1.34 H new ATOM 0 HE3 MET A 118 20.294 6.940 -11.407 1.00 1.34 H new ATOM 1830 N GLU A 119 17.645 0.842 -11.370 1.00 0.01 N ATOM 1831 CA GLU A 119 18.409 -0.236 -12.052 1.00 0.02 C ATOM 1832 C GLU A 119 17.683 -0.662 -13.332 1.00 0.02 C ATOM 1833 O GLU A 119 18.300 -0.985 -14.326 1.00 0.01 O ATOM 1834 CB GLU A 119 18.531 -1.439 -11.117 1.00 0.30 C ATOM 1835 CG GLU A 119 19.342 -1.047 -9.882 1.00 0.99 C ATOM 1836 CD GLU A 119 19.198 -2.130 -8.812 1.00 1.69 C ATOM 1837 OE1 GLU A 119 19.561 -3.261 -9.090 1.00 2.07 O ATOM 1838 OE2 GLU A 119 18.726 -1.811 -7.734 1.00 2.11 O ATOM 0 H GLU A 119 17.190 0.576 -10.497 1.00 0.01 H new ATOM 0 HA GLU A 119 19.401 0.136 -12.309 1.00 0.02 H new ATOM 0 HB2 GLU A 119 17.541 -1.784 -10.820 1.00 0.30 H new ATOM 0 HB3 GLU A 119 19.015 -2.267 -11.635 1.00 0.30 H new ATOM 0 HG2 GLU A 119 20.392 -0.921 -10.148 1.00 0.99 H new ATOM 0 HG3 GLU A 119 18.994 -0.089 -9.494 1.00 0.99 H new ATOM 1845 N GLN A 120 16.378 -0.724 -13.295 1.00 0.00 N ATOM 1846 CA GLN A 120 15.616 -1.198 -14.488 1.00 0.01 C ATOM 1847 C GLN A 120 15.448 -0.104 -15.546 1.00 0.01 C ATOM 1848 O GLN A 120 15.618 -0.346 -16.724 1.00 0.01 O ATOM 1849 CB GLN A 120 14.231 -1.664 -14.038 1.00 0.52 C ATOM 1850 CG GLN A 120 13.488 -2.290 -15.219 1.00 1.07 C ATOM 1851 CD GLN A 120 12.148 -2.849 -14.738 1.00 1.08 C ATOM 1852 OE1 GLN A 120 11.605 -2.392 -13.751 1.00 0.98 O ATOM 1853 NE2 GLN A 120 11.589 -3.829 -15.395 1.00 2.08 N ATOM 0 H GLN A 120 15.807 -0.467 -12.490 1.00 0.00 H new ATOM 0 HA GLN A 120 16.182 -2.013 -14.939 1.00 0.01 H new ATOM 0 HB2 GLN A 120 14.326 -2.389 -13.230 1.00 0.52 H new ATOM 0 HB3 GLN A 120 13.663 -0.821 -13.645 1.00 0.52 H new ATOM 0 HG2 GLN A 120 13.325 -1.544 -15.997 1.00 1.07 H new ATOM 0 HG3 GLN A 120 14.089 -3.085 -15.661 1.00 1.07 H new ATOM 0 HE21 GLN A 120 12.044 -4.213 -16.223 1.00 2.08 H new ATOM 0 HE22 GLN A 120 10.697 -4.211 -15.080 1.00 2.08 H new ATOM 1862 N PHE A 121 15.039 1.075 -15.143 1.00 0.02 N ATOM 1863 CA PHE A 121 14.766 2.168 -16.138 1.00 0.01 C ATOM 1864 C PHE A 121 15.785 3.305 -16.059 1.00 0.01 C ATOM 1865 O PHE A 121 15.704 4.263 -16.802 1.00 0.01 O ATOM 1866 CB PHE A 121 13.369 2.722 -15.865 1.00 0.01 C ATOM 1867 CG PHE A 121 12.353 1.619 -16.058 1.00 0.01 C ATOM 1868 CD1 PHE A 121 12.138 1.087 -17.335 1.00 0.01 C ATOM 1869 CD2 PHE A 121 11.630 1.126 -14.964 1.00 0.01 C ATOM 1870 CE1 PHE A 121 11.201 0.063 -17.518 1.00 0.01 C ATOM 1871 CE2 PHE A 121 10.692 0.101 -15.148 1.00 0.01 C ATOM 1872 CZ PHE A 121 10.479 -0.430 -16.425 1.00 0.01 C ATOM 0 H PHE A 121 14.881 1.331 -14.168 1.00 0.02 H new ATOM 0 HA PHE A 121 14.841 1.743 -17.139 1.00 0.01 H new ATOM 0 HB2 PHE A 121 13.311 3.113 -14.849 1.00 0.01 H new ATOM 0 HB3 PHE A 121 13.155 3.552 -16.538 1.00 0.01 H new ATOM 0 HD1 PHE A 121 12.695 1.467 -18.179 1.00 0.01 H new ATOM 0 HD2 PHE A 121 11.795 1.536 -13.979 1.00 0.01 H new ATOM 0 HE1 PHE A 121 11.035 -0.347 -18.503 1.00 0.01 H new ATOM 0 HE2 PHE A 121 10.134 -0.279 -14.305 1.00 0.01 H new ATOM 0 HZ PHE A 121 9.757 -1.221 -16.567 1.00 0.01 H new ATOM 1882 N HIS A 122 16.735 3.230 -15.173 1.00 0.01 N ATOM 1883 CA HIS A 122 17.735 4.328 -15.069 1.00 0.01 C ATOM 1884 C HIS A 122 17.019 5.639 -14.730 1.00 0.01 C ATOM 1885 O HIS A 122 17.427 6.704 -15.151 1.00 0.02 O ATOM 1886 CB HIS A 122 18.486 4.457 -16.400 1.00 0.01 C ATOM 1887 CG HIS A 122 18.712 3.088 -16.977 1.00 0.01 C ATOM 1888 ND1 HIS A 122 18.556 2.818 -18.328 1.00 0.01 N ATOM 1889 CD2 HIS A 122 19.079 1.899 -16.399 1.00 0.01 C ATOM 1890 CE1 HIS A 122 18.825 1.514 -18.516 1.00 0.00 C ATOM 1891 NE2 HIS A 122 19.148 0.905 -17.371 1.00 0.01 N ATOM 0 H HIS A 122 16.863 2.459 -14.518 1.00 0.01 H new ATOM 0 HA HIS A 122 18.452 4.105 -14.279 1.00 0.01 H new ATOM 0 HB2 HIS A 122 17.912 5.068 -17.097 1.00 0.01 H new ATOM 0 HB3 HIS A 122 19.440 4.961 -16.245 1.00 0.01 H new ATOM 0 HD2 HIS A 122 19.284 1.756 -15.348 1.00 0.01 H new ATOM 0 HE1 HIS A 122 18.785 1.019 -19.475 1.00 0.00 H new ATOM 0 HE2 HIS A 122 19.392 -0.076 -17.238 1.00 0.01 H new ATOM 1899 N LEU A 123 15.954 5.564 -13.964 1.00 0.01 N ATOM 1900 CA LEU A 123 15.194 6.800 -13.577 1.00 0.01 C ATOM 1901 C LEU A 123 15.354 7.024 -12.074 1.00 0.02 C ATOM 1902 O LEU A 123 15.239 6.107 -11.286 1.00 0.01 O ATOM 1903 CB LEU A 123 13.705 6.611 -13.894 1.00 0.01 C ATOM 1904 CG LEU A 123 13.477 6.550 -15.416 1.00 0.01 C ATOM 1905 CD1 LEU A 123 12.113 5.913 -15.711 1.00 0.01 C ATOM 1906 CD2 LEU A 123 13.493 7.962 -16.014 1.00 0.01 C ATOM 0 H LEU A 123 15.576 4.695 -13.588 1.00 0.01 H new ATOM 0 HA LEU A 123 15.579 7.655 -14.132 1.00 0.01 H new ATOM 0 HB2 LEU A 123 13.343 5.694 -13.430 1.00 0.01 H new ATOM 0 HB3 LEU A 123 13.130 7.433 -13.468 1.00 0.01 H new ATOM 0 HG LEU A 123 14.275 5.955 -15.859 1.00 0.01 H new ATOM 0 HD11 LEU A 123 11.956 5.872 -16.789 1.00 0.01 H new ATOM 0 HD12 LEU A 123 12.087 4.903 -15.302 1.00 0.01 H new ATOM 0 HD13 LEU A 123 11.325 6.511 -15.252 1.00 0.01 H new ATOM 0 HD21 LEU A 123 13.331 7.903 -17.090 1.00 0.01 H new ATOM 0 HD22 LEU A 123 12.702 8.559 -15.560 1.00 0.01 H new ATOM 0 HD23 LEU A 123 14.458 8.429 -15.818 1.00 0.01 H new ATOM 1918 N ARG A 124 15.628 8.237 -11.667 1.00 0.01 N ATOM 1919 CA ARG A 124 15.808 8.518 -10.212 1.00 0.00 C ATOM 1920 C ARG A 124 14.472 8.936 -9.585 1.00 0.01 C ATOM 1921 O ARG A 124 14.282 8.845 -8.389 1.00 0.01 O ATOM 1922 CB ARG A 124 16.834 9.649 -10.031 1.00 1.67 C ATOM 1923 CG ARG A 124 16.618 10.745 -11.098 1.00 1.98 C ATOM 1924 CD ARG A 124 17.473 10.460 -12.345 1.00 2.92 C ATOM 1925 NE ARG A 124 18.843 11.007 -12.140 1.00 3.54 N ATOM 1926 CZ ARG A 124 19.819 10.629 -12.919 1.00 4.57 C ATOM 1927 NH1 ARG A 124 19.596 9.769 -13.875 1.00 5.25 N ATOM 1928 NH2 ARG A 124 21.018 11.110 -12.744 1.00 5.32 N ATOM 0 H ARG A 124 15.735 9.045 -12.280 1.00 0.01 H new ATOM 0 HA ARG A 124 16.165 7.615 -9.718 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.739 10.079 -9.034 1.00 1.67 H new ATOM 0 HB3 ARG A 124 17.845 9.249 -10.111 1.00 1.67 H new ATOM 0 HG2 ARG A 124 15.565 10.789 -11.375 1.00 1.98 H new ATOM 0 HG3 ARG A 124 16.880 11.719 -10.685 1.00 1.98 H new ATOM 0 HD2 ARG A 124 17.522 9.387 -12.529 1.00 2.92 H new ATOM 0 HD3 ARG A 124 17.016 10.914 -13.224 1.00 2.92 H new ATOM 0 HE ARG A 124 19.018 11.677 -11.391 1.00 3.54 H new ATOM 0 HH11 ARG A 124 18.658 9.392 -14.013 1.00 5.25 H new ATOM 0 HH12 ARG A 124 20.359 9.474 -14.484 1.00 5.25 H new ATOM 0 HH21 ARG A 124 21.194 11.782 -11.998 1.00 5.32 H new ATOM 0 HH22 ARG A 124 21.780 10.814 -13.354 1.00 5.32 H new ATOM 1942 N GLU A 125 13.551 9.415 -10.385 1.00 0.01 N ATOM 1943 CA GLU A 125 12.235 9.865 -9.838 1.00 0.01 C ATOM 1944 C GLU A 125 11.136 9.650 -10.884 1.00 0.01 C ATOM 1945 O GLU A 125 11.406 9.496 -12.059 1.00 0.01 O ATOM 1946 CB GLU A 125 12.306 11.358 -9.508 1.00 0.01 C ATOM 1947 CG GLU A 125 13.272 11.579 -8.342 1.00 0.01 C ATOM 1948 CD GLU A 125 13.116 13.006 -7.814 1.00 0.02 C ATOM 1949 OE1 GLU A 125 12.813 13.880 -8.610 1.00 0.02 O ATOM 1950 OE2 GLU A 125 13.300 13.200 -6.624 1.00 0.01 O ATOM 0 H GLU A 125 13.655 9.514 -11.395 1.00 0.01 H new ATOM 0 HA GLU A 125 12.009 9.290 -8.940 1.00 0.01 H new ATOM 0 HB2 GLU A 125 12.639 11.919 -10.381 1.00 0.01 H new ATOM 0 HB3 GLU A 125 11.315 11.731 -9.249 1.00 0.01 H new ATOM 0 HG2 GLU A 125 13.069 10.861 -7.547 1.00 0.01 H new ATOM 0 HG3 GLU A 125 14.298 11.411 -8.669 1.00 0.01 H new ATOM 1957 N ILE A 126 9.893 9.682 -10.467 1.00 0.01 N ATOM 1958 CA ILE A 126 8.753 9.532 -11.427 1.00 0.01 C ATOM 1959 C ILE A 126 7.738 10.632 -11.103 1.00 0.01 C ATOM 1960 O ILE A 126 7.379 10.830 -9.960 1.00 0.01 O ATOM 1961 CB ILE A 126 8.109 8.146 -11.271 1.00 1.33 C ATOM 1962 CG1 ILE A 126 9.179 7.076 -11.574 1.00 1.49 C ATOM 1963 CG2 ILE A 126 6.930 8.006 -12.254 1.00 2.17 C ATOM 1964 CD1 ILE A 126 8.530 5.712 -11.837 1.00 1.70 C ATOM 0 H ILE A 126 9.617 9.807 -9.493 1.00 0.01 H new ATOM 0 HA ILE A 126 9.099 9.622 -12.457 1.00 0.01 H new ATOM 0 HB ILE A 126 7.732 8.018 -10.256 1.00 1.33 H new ATOM 0 HG12 ILE A 126 9.765 7.378 -12.442 1.00 1.49 H new ATOM 0 HG13 ILE A 126 9.870 6.999 -10.734 1.00 1.49 H new ATOM 0 HG21 ILE A 126 6.476 7.022 -12.140 1.00 2.17 H new ATOM 0 HG22 ILE A 126 6.187 8.775 -12.043 1.00 2.17 H new ATOM 0 HG23 ILE A 126 7.292 8.122 -13.275 1.00 2.17 H new ATOM 0 HD11 ILE A 126 9.305 4.975 -12.048 1.00 1.70 H new ATOM 0 HD12 ILE A 126 7.965 5.403 -10.958 1.00 1.70 H new ATOM 0 HD13 ILE A 126 7.858 5.787 -12.692 1.00 1.70 H new ATOM 1976 N HIS A 127 7.311 11.380 -12.095 1.00 0.01 N ATOM 1977 CA HIS A 127 6.360 12.515 -11.833 1.00 0.01 C ATOM 1978 C HIS A 127 4.949 12.227 -12.351 1.00 0.01 C ATOM 1979 O HIS A 127 4.009 12.916 -12.010 1.00 0.01 O ATOM 1980 CB HIS A 127 6.891 13.788 -12.490 1.00 0.02 C ATOM 1981 CG HIS A 127 8.333 13.981 -12.110 1.00 0.01 C ATOM 1982 ND1 HIS A 127 9.365 13.330 -12.767 1.00 0.01 N ATOM 1983 CD2 HIS A 127 8.929 14.747 -11.140 1.00 0.01 C ATOM 1984 CE1 HIS A 127 10.518 13.711 -12.188 1.00 0.01 C ATOM 1985 NE2 HIS A 127 10.309 14.574 -11.190 1.00 0.02 N ATOM 0 H HIS A 127 7.578 11.256 -13.072 1.00 0.01 H new ATOM 0 HA HIS A 127 6.294 12.641 -10.752 1.00 0.01 H new ATOM 0 HB2 HIS A 127 6.795 13.719 -13.574 1.00 0.02 H new ATOM 0 HB3 HIS A 127 6.301 14.648 -12.172 1.00 0.02 H new ATOM 0 HD1 HIS A 127 9.268 12.680 -13.547 1.00 0.01 H new ATOM 0 HD2 HIS A 127 8.407 15.387 -10.444 1.00 0.01 H new ATOM 0 HE1 HIS A 127 11.493 13.362 -12.493 1.00 0.01 H new ATOM 1993 N SER A 128 4.776 11.204 -13.142 1.00 0.01 N ATOM 1994 CA SER A 128 3.409 10.869 -13.637 1.00 0.01 C ATOM 1995 C SER A 128 3.398 9.413 -14.102 1.00 0.01 C ATOM 1996 O SER A 128 4.420 8.859 -14.463 1.00 0.01 O ATOM 1997 CB SER A 128 3.037 11.782 -14.805 1.00 0.01 C ATOM 1998 OG SER A 128 4.093 11.787 -15.755 1.00 0.01 O ATOM 0 H SER A 128 5.520 10.586 -13.467 1.00 0.01 H new ATOM 0 HA SER A 128 2.684 11.011 -12.835 1.00 0.01 H new ATOM 0 HB2 SER A 128 2.115 11.436 -15.272 1.00 0.01 H new ATOM 0 HB3 SER A 128 2.852 12.794 -14.445 1.00 0.01 H new ATOM 0 HG SER A 128 4.819 12.361 -15.434 1.00 0.01 H new ATOM 2004 N CYS A 129 2.256 8.784 -14.084 1.00 0.01 N ATOM 2005 CA CYS A 129 2.178 7.361 -14.511 1.00 0.01 C ATOM 2006 C CYS A 129 0.711 6.988 -14.725 1.00 0.00 C ATOM 2007 O CYS A 129 -0.161 7.431 -14.000 1.00 0.01 O ATOM 2008 CB CYS A 129 2.783 6.466 -13.427 1.00 0.69 C ATOM 2009 SG CYS A 129 2.370 4.738 -13.768 1.00 1.22 S ATOM 0 H CYS A 129 1.371 9.197 -13.791 1.00 0.01 H new ATOM 0 HA CYS A 129 2.733 7.223 -15.439 1.00 0.01 H new ATOM 0 HB2 CYS A 129 3.865 6.593 -13.398 1.00 0.69 H new ATOM 0 HB3 CYS A 129 2.402 6.755 -12.448 1.00 0.69 H new ATOM 0 HG CYS A 129 2.697 4.447 -14.992 1.00 1.22 H new ATOM 2015 N LYS A 130 0.419 6.175 -15.713 1.00 0.01 N ATOM 2016 CA LYS A 130 -1.006 5.779 -15.963 1.00 0.01 C ATOM 2017 C LYS A 130 -1.132 4.259 -15.848 1.00 0.01 C ATOM 2018 O LYS A 130 -0.756 3.502 -16.720 1.00 0.01 O ATOM 2019 CB LYS A 130 -1.432 6.248 -17.362 1.00 0.55 C ATOM 2020 CG LYS A 130 -2.774 5.614 -17.744 1.00 0.80 C ATOM 2021 CD LYS A 130 -3.343 6.327 -18.972 1.00 0.29 C ATOM 2022 CE LYS A 130 -4.708 5.734 -19.324 1.00 0.33 C ATOM 2023 NZ LYS A 130 -4.600 4.249 -19.400 1.00 1.41 N ATOM 0 H LYS A 130 1.101 5.770 -16.354 1.00 0.01 H new ATOM 0 HA LYS A 130 -1.657 6.247 -15.225 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -1.516 7.335 -17.380 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -0.671 5.975 -18.093 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -2.640 4.553 -17.956 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -3.473 5.687 -16.911 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -3.440 7.394 -18.773 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -2.661 6.220 -19.815 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -5.444 6.018 -18.572 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -5.055 6.133 -20.277 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -5.405 3.869 -19.938 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -3.712 3.989 -19.876 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -4.607 3.851 -18.439 1.00 1.41 H new ATOM 2037 N VAL A 131 -1.679 3.828 -14.748 1.00 0.01 N ATOM 2038 CA VAL A 131 -1.891 2.380 -14.480 1.00 0.01 C ATOM 2039 C VAL A 131 -3.393 2.122 -14.489 1.00 0.01 C ATOM 2040 O VAL A 131 -4.134 2.824 -13.830 1.00 0.01 O ATOM 2041 CB VAL A 131 -1.309 2.019 -13.111 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -2.054 2.782 -12.011 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -1.455 0.513 -12.878 1.00 0.01 C ATOM 0 H VAL A 131 -1.999 4.441 -13.998 1.00 0.01 H new ATOM 0 HA VAL A 131 -1.396 1.772 -15.238 1.00 0.01 H new ATOM 0 HB VAL A 131 -0.254 2.293 -13.085 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -1.635 2.521 -11.039 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -1.947 3.854 -12.176 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -3.110 2.515 -12.034 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -1.041 0.254 -11.904 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -2.510 0.241 -12.908 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -0.918 -0.029 -13.656 1.00 0.01 H new ATOM 2105 N TRP A 136 -2.107 -2.119 -7.657 1.00 0.01 N ATOM 2106 CA TRP A 136 -0.638 -1.790 -7.775 1.00 0.01 C ATOM 2107 C TRP A 136 -0.171 -0.977 -6.561 1.00 0.01 C ATOM 2108 O TRP A 136 -0.855 -0.089 -6.086 1.00 0.00 O ATOM 2109 CB TRP A 136 -0.389 -1.003 -9.074 1.00 0.01 C ATOM 2110 CG TRP A 136 -0.273 -1.963 -10.217 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -1.285 -2.715 -10.702 1.00 0.01 C ATOM 2112 CD2 TRP A 136 0.902 -2.300 -11.008 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -0.809 -3.490 -11.743 1.00 0.00 N ATOM 2114 CE2 TRP A 136 0.534 -3.270 -11.971 1.00 0.01 C ATOM 2115 CE3 TRP A 136 2.237 -1.863 -10.985 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 1.460 -3.787 -12.879 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 3.169 -2.382 -11.897 1.00 0.01 C ATOM 2118 CH2 TRP A 136 2.782 -3.342 -12.841 1.00 0.01 C ATOM 0 HA TRP A 136 -0.067 -2.718 -7.804 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -1.206 -0.304 -9.252 1.00 0.01 H new ATOM 0 HB3 TRP A 136 0.523 -0.412 -8.986 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -2.301 -2.711 -10.336 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -1.381 -4.144 -12.277 1.00 0.00 H new ATOM 0 HE3 TRP A 136 2.548 -1.124 -10.262 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 1.155 -4.526 -13.605 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 4.193 -2.039 -11.871 1.00 0.01 H new ATOM 0 HH2 TRP A 136 3.506 -3.737 -13.538 1.00 0.01 H new ATOM 2129 N ILE A 137 1.007 -1.288 -6.064 1.00 0.01 N ATOM 2130 CA ILE A 137 1.572 -0.557 -4.885 1.00 0.00 C ATOM 2131 C ILE A 137 2.916 0.060 -5.278 1.00 0.01 C ATOM 2132 O ILE A 137 3.722 -0.553 -5.950 1.00 0.01 O ATOM 2133 CB ILE A 137 1.824 -1.540 -3.735 1.00 0.60 C ATOM 2134 CG1 ILE A 137 0.611 -2.443 -3.521 1.00 1.32 C ATOM 2135 CG2 ILE A 137 2.099 -0.756 -2.450 1.00 1.37 C ATOM 2136 CD1 ILE A 137 1.010 -3.599 -2.605 1.00 1.69 C ATOM 0 H ILE A 137 1.606 -2.027 -6.432 1.00 0.01 H new ATOM 0 HA ILE A 137 0.866 0.213 -4.573 1.00 0.00 H new ATOM 0 HB ILE A 137 2.684 -2.160 -3.989 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -0.207 -1.876 -3.078 1.00 1.32 H new ATOM 0 HG13 ILE A 137 0.253 -2.826 -4.477 1.00 1.32 H new ATOM 0 HG21 ILE A 137 2.279 -1.452 -1.631 1.00 1.37 H new ATOM 0 HG22 ILE A 137 2.977 -0.125 -2.589 1.00 1.37 H new ATOM 0 HG23 ILE A 137 1.238 -0.131 -2.213 1.00 1.37 H new ATOM 0 HD11 ILE A 137 0.151 -4.250 -2.446 1.00 1.69 H new ATOM 0 HD12 ILE A 137 1.816 -4.169 -3.068 1.00 1.69 H new ATOM 0 HD13 ILE A 137 1.349 -3.204 -1.647 1.00 1.69 H new ATOM 2148 N PHE A 138 3.167 1.262 -4.831 1.00 0.01 N ATOM 2149 CA PHE A 138 4.464 1.951 -5.121 1.00 0.01 C ATOM 2150 C PHE A 138 5.216 2.062 -3.786 1.00 0.01 C ATOM 2151 O PHE A 138 4.612 2.304 -2.764 1.00 0.00 O ATOM 2152 CB PHE A 138 4.172 3.359 -5.681 1.00 1.11 C ATOM 2153 CG PHE A 138 4.105 3.366 -7.201 1.00 1.11 C ATOM 2154 CD1 PHE A 138 3.713 2.229 -7.932 1.00 1.54 C ATOM 2155 CD2 PHE A 138 4.442 4.539 -7.880 1.00 1.46 C ATOM 2156 CE1 PHE A 138 3.665 2.279 -9.330 1.00 2.35 C ATOM 2157 CE2 PHE A 138 4.395 4.587 -9.277 1.00 2.01 C ATOM 2158 CZ PHE A 138 4.007 3.457 -10.002 1.00 2.49 C ATOM 0 H PHE A 138 2.516 1.808 -4.266 1.00 0.01 H new ATOM 0 HA PHE A 138 5.056 1.402 -5.853 1.00 0.01 H new ATOM 0 HB2 PHE A 138 3.228 3.722 -5.275 1.00 1.11 H new ATOM 0 HB3 PHE A 138 4.948 4.049 -5.349 1.00 1.11 H new ATOM 0 HD1 PHE A 138 3.449 1.318 -7.415 1.00 1.54 H new ATOM 0 HD2 PHE A 138 4.741 5.415 -7.323 1.00 1.46 H new ATOM 0 HE1 PHE A 138 3.363 1.407 -9.891 1.00 2.35 H new ATOM 0 HE2 PHE A 138 4.658 5.497 -9.795 1.00 2.01 H new ATOM 0 HZ PHE A 138 3.971 3.493 -11.081 1.00 2.49 H new ATOM 2168 N TYR A 139 6.522 1.891 -3.780 1.00 0.01 N ATOM 2169 CA TYR A 139 7.305 1.991 -2.500 1.00 0.01 C ATOM 2170 C TYR A 139 8.385 3.072 -2.651 1.00 0.01 C ATOM 2171 O TYR A 139 8.950 3.260 -3.714 1.00 0.01 O ATOM 2172 CB TYR A 139 7.982 0.643 -2.210 1.00 0.01 C ATOM 2173 CG TYR A 139 7.008 -0.312 -1.558 1.00 0.01 C ATOM 2174 CD1 TYR A 139 5.970 -0.871 -2.311 1.00 0.01 C ATOM 2175 CD2 TYR A 139 7.159 -0.658 -0.208 1.00 0.01 C ATOM 2176 CE1 TYR A 139 5.084 -1.776 -1.714 1.00 0.01 C ATOM 2177 CE2 TYR A 139 6.270 -1.559 0.387 1.00 0.02 C ATOM 2178 CZ TYR A 139 5.233 -2.119 -0.366 1.00 0.02 C ATOM 2179 OH TYR A 139 4.361 -3.013 0.220 1.00 0.00 O ATOM 0 H TYR A 139 7.080 1.686 -4.609 1.00 0.01 H new ATOM 0 HA TYR A 139 6.634 2.249 -1.681 1.00 0.01 H new ATOM 0 HB2 TYR A 139 8.357 0.211 -3.138 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.842 0.795 -1.558 1.00 0.01 H new ATOM 0 HD1 TYR A 139 5.852 -0.605 -3.351 1.00 0.01 H new ATOM 0 HD2 TYR A 139 7.962 -0.229 0.373 1.00 0.01 H new ATOM 0 HE1 TYR A 139 4.284 -2.210 -2.295 1.00 0.01 H new ATOM 0 HE2 TYR A 139 6.384 -1.822 1.428 1.00 0.02 H new ATOM 0 HH TYR A 139 3.562 -2.536 0.528 1.00 0.00 H new ATOM 2189 N GLU A 140 8.640 3.809 -1.598 1.00 0.01 N ATOM 2190 CA GLU A 140 9.631 4.921 -1.662 1.00 0.02 C ATOM 2191 C GLU A 140 11.073 4.393 -1.685 1.00 0.01 C ATOM 2192 O GLU A 140 11.938 5.019 -2.264 1.00 0.01 O ATOM 2193 CB GLU A 140 9.437 5.788 -0.419 1.00 0.01 C ATOM 2194 CG GLU A 140 10.173 7.118 -0.596 1.00 0.02 C ATOM 2195 CD GLU A 140 9.833 8.044 0.572 1.00 0.02 C ATOM 2196 OE1 GLU A 140 9.117 7.608 1.458 1.00 0.01 O ATOM 2197 OE2 GLU A 140 10.295 9.172 0.561 1.00 0.02 O ATOM 0 H GLU A 140 8.197 3.684 -0.688 1.00 0.01 H new ATOM 0 HA GLU A 140 9.471 5.489 -2.578 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.375 5.969 -0.252 1.00 0.01 H new ATOM 0 HB3 GLU A 140 9.814 5.267 0.461 1.00 0.01 H new ATOM 0 HG2 GLU A 140 11.249 6.948 -0.639 1.00 0.02 H new ATOM 0 HG3 GLU A 140 9.886 7.583 -1.539 1.00 0.02 H new ATOM 2204 N LEU A 141 11.360 3.269 -1.062 1.00 0.01 N ATOM 2205 CA LEU A 141 12.769 2.742 -1.052 1.00 0.02 C ATOM 2206 C LEU A 141 12.804 1.406 -1.821 1.00 0.01 C ATOM 2207 O LEU A 141 11.794 0.733 -1.935 1.00 0.01 O ATOM 2208 CB LEU A 141 13.186 2.514 0.416 1.00 0.57 C ATOM 2209 CG LEU A 141 13.726 3.824 1.028 1.00 0.81 C ATOM 2210 CD1 LEU A 141 13.602 3.771 2.555 1.00 1.48 C ATOM 2211 CD2 LEU A 141 15.204 4.021 0.658 1.00 1.24 C ATOM 0 H LEU A 141 10.682 2.695 -0.561 1.00 0.01 H new ATOM 0 HA LEU A 141 13.452 3.447 -1.526 1.00 0.02 H new ATOM 0 HB2 LEU A 141 12.332 2.160 0.993 1.00 0.57 H new ATOM 0 HB3 LEU A 141 13.950 1.738 0.468 1.00 0.57 H new ATOM 0 HG LEU A 141 13.141 4.655 0.633 1.00 0.81 H new ATOM 0 HD11 LEU A 141 13.984 4.698 2.983 1.00 1.48 H new ATOM 0 HD12 LEU A 141 12.555 3.649 2.831 1.00 1.48 H new ATOM 0 HD13 LEU A 141 14.179 2.929 2.938 1.00 1.48 H new ATOM 0 HD21 LEU A 141 15.569 4.949 1.098 1.00 1.24 H new ATOM 0 HD22 LEU A 141 15.789 3.184 1.040 1.00 1.24 H new ATOM 0 HD23 LEU A 141 15.304 4.069 -0.426 1.00 1.24 H new ATOM 2223 N PRO A 142 13.951 1.016 -2.351 1.00 0.01 N ATOM 2224 CA PRO A 142 14.051 -0.259 -3.118 1.00 0.01 C ATOM 2225 C PRO A 142 13.627 -1.480 -2.295 1.00 0.01 C ATOM 2226 O PRO A 142 13.498 -1.435 -1.088 1.00 0.01 O ATOM 2227 CB PRO A 142 15.549 -0.319 -3.492 1.00 0.01 C ATOM 2228 CG PRO A 142 16.276 0.808 -2.740 1.00 0.02 C ATOM 2229 CD PRO A 142 15.219 1.799 -2.230 1.00 0.01 C ATOM 0 HA PRO A 142 13.384 -0.280 -3.980 1.00 0.01 H new ATOM 0 HB2 PRO A 142 15.969 -1.288 -3.224 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.677 -0.203 -4.568 1.00 0.01 H new ATOM 0 HG2 PRO A 142 16.850 0.402 -1.907 1.00 0.02 H new ATOM 0 HG3 PRO A 142 16.983 1.311 -3.399 1.00 0.02 H new ATOM 0 HD2 PRO A 142 15.411 2.102 -1.201 1.00 0.01 H new ATOM 0 HD3 PRO A 142 15.193 2.708 -2.831 1.00 0.01 H new ATOM 2237 N ASN A 143 13.435 -2.570 -2.981 1.00 0.01 N ATOM 2238 CA ASN A 143 13.043 -3.848 -2.328 1.00 0.01 C ATOM 2239 C ASN A 143 11.713 -3.712 -1.586 1.00 0.01 C ATOM 2240 O ASN A 143 11.458 -4.386 -0.607 1.00 0.01 O ATOM 2241 CB ASN A 143 14.130 -4.274 -1.338 1.00 0.23 C ATOM 2242 CG ASN A 143 13.844 -5.696 -0.852 1.00 0.11 C ATOM 2243 OD1 ASN A 143 14.119 -6.655 -1.545 1.00 0.75 O ATOM 2244 ND2 ASN A 143 13.297 -5.874 0.319 1.00 0.56 N ATOM 0 H ASN A 143 13.536 -2.629 -3.994 1.00 0.01 H new ATOM 0 HA ASN A 143 12.926 -4.601 -3.107 1.00 0.01 H new ATOM 0 HB2 ASN A 143 15.109 -4.231 -1.815 1.00 0.23 H new ATOM 0 HB3 ASN A 143 14.157 -3.587 -0.492 1.00 0.23 H new ATOM 0 HD21 ASN A 143 13.101 -6.818 0.652 1.00 0.56 H new ATOM 0 HD22 ASN A 143 13.066 -5.069 0.902 1.00 0.56 H new ATOM 2251 N TYR A 144 10.846 -2.871 -2.081 1.00 0.01 N ATOM 2252 CA TYR A 144 9.501 -2.707 -1.457 1.00 0.02 C ATOM 2253 C TYR A 144 9.628 -2.273 0.008 1.00 0.01 C ATOM 2254 O TYR A 144 9.036 -2.867 0.887 1.00 0.01 O ATOM 2255 CB TYR A 144 8.747 -4.049 -1.549 1.00 0.01 C ATOM 2256 CG TYR A 144 9.232 -4.805 -2.769 1.00 0.01 C ATOM 2257 CD1 TYR A 144 9.150 -4.208 -4.033 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.783 -6.088 -2.637 1.00 0.01 C ATOM 2259 CE1 TYR A 144 9.612 -4.892 -5.164 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.249 -6.771 -3.767 1.00 0.01 C ATOM 2261 CZ TYR A 144 10.162 -6.174 -5.031 1.00 0.01 C ATOM 2262 OH TYR A 144 10.622 -6.846 -6.145 1.00 0.01 O ATOM 0 H TYR A 144 11.013 -2.285 -2.899 1.00 0.01 H new ATOM 0 HA TYR A 144 8.950 -1.931 -1.988 1.00 0.02 H new ATOM 0 HB2 TYR A 144 8.917 -4.639 -0.648 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.673 -3.874 -1.617 1.00 0.01 H new ATOM 0 HD1 TYR A 144 8.730 -3.218 -4.136 1.00 0.01 H new ATOM 0 HD2 TYR A 144 9.848 -6.550 -1.663 1.00 0.01 H new ATOM 0 HE1 TYR A 144 9.544 -4.432 -6.139 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.675 -7.758 -3.664 1.00 0.01 H new ATOM 0 HH TYR A 144 10.973 -7.721 -5.877 1.00 0.01 H new ATOM 2272 N ARG A 145 10.393 -1.238 0.271 1.00 0.02 N ATOM 2273 CA ARG A 145 10.564 -0.755 1.685 1.00 0.01 C ATOM 2274 C ARG A 145 10.227 0.736 1.774 1.00 0.01 C ATOM 2275 O ARG A 145 10.123 1.420 0.776 1.00 0.01 O ATOM 2276 CB ARG A 145 12.020 -0.956 2.115 1.00 0.01 C ATOM 2277 CG ARG A 145 12.299 -2.451 2.336 1.00 0.02 C ATOM 2278 CD ARG A 145 11.520 -2.980 3.556 1.00 0.01 C ATOM 2279 NE ARG A 145 10.226 -3.558 3.102 1.00 0.01 N ATOM 2280 CZ ARG A 145 9.537 -4.328 3.899 1.00 0.01 C ATOM 2281 NH1 ARG A 145 9.979 -4.587 5.098 1.00 0.02 N ATOM 2282 NH2 ARG A 145 8.406 -4.838 3.495 1.00 0.01 N ATOM 0 H ARG A 145 10.907 -0.706 -0.431 1.00 0.02 H new ATOM 0 HA ARG A 145 9.896 -1.319 2.336 1.00 0.01 H new ATOM 0 HB2 ARG A 145 12.691 -0.561 1.353 1.00 0.01 H new ATOM 0 HB3 ARG A 145 12.217 -0.401 3.032 1.00 0.01 H new ATOM 0 HG2 ARG A 145 12.016 -3.014 1.446 1.00 0.02 H new ATOM 0 HG3 ARG A 145 13.367 -2.608 2.485 1.00 0.02 H new ATOM 0 HD2 ARG A 145 12.107 -3.737 4.076 1.00 0.01 H new ATOM 0 HD3 ARG A 145 11.341 -2.172 4.266 1.00 0.01 H new ATOM 0 HE ARG A 145 9.877 -3.352 2.166 1.00 0.01 H new ATOM 0 HH11 ARG A 145 10.863 -4.188 5.413 1.00 0.02 H new ATOM 0 HH12 ARG A 145 9.441 -5.189 5.721 1.00 0.02 H new ATOM 0 HH21 ARG A 145 8.061 -4.635 2.557 1.00 0.01 H new ATOM 0 HH22 ARG A 145 7.867 -5.440 4.117 1.00 0.01 H new ATOM 2296 N GLY A 146 10.045 1.243 2.969 1.00 0.01 N ATOM 2297 CA GLY A 146 9.713 2.689 3.137 1.00 0.02 C ATOM 2298 C GLY A 146 8.199 2.898 3.060 1.00 0.01 C ATOM 2299 O GLY A 146 7.422 1.968 3.150 1.00 0.02 O ATOM 0 H GLY A 146 10.113 0.713 3.838 1.00 0.01 H new ATOM 0 HA2 GLY A 146 10.088 3.046 4.096 1.00 0.02 H new ATOM 0 HA3 GLY A 146 10.208 3.275 2.363 1.00 0.02 H new ATOM 2303 N ARG A 147 7.782 4.124 2.895 1.00 0.01 N ATOM 2304 CA ARG A 147 6.323 4.422 2.809 1.00 0.01 C ATOM 2305 C ARG A 147 5.781 3.857 1.500 1.00 0.01 C ATOM 2306 O ARG A 147 6.441 3.868 0.478 1.00 0.01 O ATOM 2307 CB ARG A 147 6.113 5.940 2.841 1.00 0.01 C ATOM 2308 CG ARG A 147 4.644 6.261 2.546 1.00 0.01 C ATOM 2309 CD ARG A 147 4.352 7.718 2.907 1.00 0.01 C ATOM 2310 NE ARG A 147 4.256 7.854 4.387 1.00 0.02 N ATOM 2311 CZ ARG A 147 4.294 9.035 4.938 1.00 0.02 C ATOM 2312 NH1 ARG A 147 4.409 10.101 4.190 1.00 0.01 N ATOM 2313 NH2 ARG A 147 4.213 9.152 6.235 1.00 0.02 N ATOM 0 H ARG A 147 8.393 4.937 2.816 1.00 0.01 H new ATOM 0 HA ARG A 147 5.799 3.969 3.650 1.00 0.01 H new ATOM 0 HB2 ARG A 147 6.393 6.336 3.817 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.756 6.422 2.105 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.428 6.087 1.492 1.00 0.01 H new ATOM 0 HG3 ARG A 147 3.995 5.598 3.118 1.00 0.01 H new ATOM 0 HD2 ARG A 147 5.141 8.364 2.522 1.00 0.01 H new ATOM 0 HD3 ARG A 147 3.421 8.040 2.441 1.00 0.01 H new ATOM 0 HE ARG A 147 4.160 7.023 4.970 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.469 10.008 3.176 1.00 0.01 H new ATOM 0 HH12 ARG A 147 4.439 11.025 4.620 1.00 0.01 H new ATOM 0 HH21 ARG A 147 4.120 8.320 6.817 1.00 0.02 H new ATOM 0 HH22 ARG A 147 4.243 10.076 6.667 1.00 0.02 H new ATOM 2327 N GLN A 148 4.585 3.324 1.546 1.00 0.01 N ATOM 2328 CA GLN A 148 3.969 2.703 0.335 1.00 0.01 C ATOM 2329 C GLN A 148 2.767 3.541 -0.115 1.00 0.01 C ATOM 2330 O GLN A 148 2.071 4.128 0.690 1.00 0.01 O ATOM 2331 CB GLN A 148 3.483 1.292 0.721 1.00 0.00 C ATOM 2332 CG GLN A 148 4.432 0.672 1.749 1.00 0.02 C ATOM 2333 CD GLN A 148 4.016 -0.777 2.011 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.161 -1.307 1.330 1.00 0.02 O ATOM 2335 NE2 GLN A 148 4.586 -1.446 2.977 1.00 0.01 N ATOM 0 H GLN A 148 4.003 3.293 2.383 1.00 0.01 H new ATOM 0 HA GLN A 148 4.695 2.653 -0.476 1.00 0.01 H new ATOM 0 HB2 GLN A 148 2.475 1.346 1.131 1.00 0.00 H new ATOM 0 HB3 GLN A 148 3.433 0.661 -0.166 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.458 0.707 1.382 1.00 0.02 H new ATOM 0 HG3 GLN A 148 4.406 1.244 2.677 1.00 0.02 H new ATOM 0 HE21 GLN A 148 5.304 -1.003 3.550 1.00 0.01 H new ATOM 0 HE22 GLN A 148 4.313 -2.412 3.159 1.00 0.01 H new ATOM 2344 N TYR A 149 2.515 3.581 -1.399 1.00 0.01 N ATOM 2345 CA TYR A 149 1.351 4.353 -1.937 1.00 0.01 C ATOM 2346 C TYR A 149 0.475 3.410 -2.764 1.00 0.01 C ATOM 2347 O TYR A 149 0.972 2.644 -3.564 1.00 0.01 O ATOM 2348 CB TYR A 149 1.855 5.502 -2.816 1.00 0.01 C ATOM 2349 CG TYR A 149 3.033 6.170 -2.150 1.00 0.01 C ATOM 2350 CD1 TYR A 149 4.329 5.683 -2.366 1.00 0.01 C ATOM 2351 CD2 TYR A 149 2.832 7.274 -1.313 1.00 0.01 C ATOM 2352 CE1 TYR A 149 5.422 6.301 -1.747 1.00 0.01 C ATOM 2353 CE2 TYR A 149 3.925 7.892 -0.696 1.00 0.01 C ATOM 2354 CZ TYR A 149 5.219 7.406 -0.912 1.00 0.01 C ATOM 2355 OH TYR A 149 6.297 8.014 -0.302 1.00 0.01 O ATOM 0 H TYR A 149 3.074 3.105 -2.108 1.00 0.01 H new ATOM 0 HA TYR A 149 0.769 4.769 -1.115 1.00 0.01 H new ATOM 0 HB2 TYR A 149 2.145 5.123 -3.796 1.00 0.01 H new ATOM 0 HB3 TYR A 149 1.057 6.227 -2.978 1.00 0.01 H new ATOM 0 HD1 TYR A 149 4.485 4.830 -3.010 1.00 0.01 H new ATOM 0 HD2 TYR A 149 1.833 7.649 -1.144 1.00 0.01 H new ATOM 0 HE1 TYR A 149 6.421 5.926 -1.914 1.00 0.01 H new ATOM 0 HE2 TYR A 149 3.770 8.745 -0.052 1.00 0.01 H new ATOM 0 HH TYR A 149 5.983 8.766 0.243 1.00 0.01 H new ATOM 2365 N LEU A 150 -0.817 3.432 -2.568 1.00 0.01 N ATOM 2366 CA LEU A 150 -1.707 2.506 -3.336 1.00 0.01 C ATOM 2367 C LEU A 150 -2.282 3.243 -4.544 1.00 0.01 C ATOM 2368 O LEU A 150 -2.943 4.254 -4.414 1.00 0.01 O ATOM 2369 CB LEU A 150 -2.841 2.052 -2.408 1.00 0.01 C ATOM 2370 CG LEU A 150 -3.698 0.967 -3.092 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -3.026 -0.406 -2.970 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -5.076 0.910 -2.424 1.00 0.01 C ATOM 0 H LEU A 150 -1.296 4.049 -1.911 1.00 0.01 H new ATOM 0 HA LEU A 150 -1.147 1.640 -3.688 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -2.425 1.663 -1.479 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -3.466 2.905 -2.144 1.00 0.01 H new ATOM 0 HG LEU A 150 -3.802 1.219 -4.147 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -3.645 -1.159 -3.458 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -2.047 -0.376 -3.448 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -2.908 -0.661 -1.917 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -5.683 0.144 -2.906 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -4.959 0.668 -1.368 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -5.568 1.878 -2.522 1.00 0.01 H new ATOM 2384 N LEU A 151 -2.040 2.734 -5.724 1.00 0.01 N ATOM 2385 CA LEU A 151 -2.576 3.390 -6.952 1.00 0.01 C ATOM 2386 C LEU A 151 -3.925 2.764 -7.306 1.00 0.01 C ATOM 2387 O LEU A 151 -4.149 1.591 -7.081 1.00 0.01 O ATOM 2388 CB LEU A 151 -1.598 3.180 -8.109 1.00 0.01 C ATOM 2389 CG LEU A 151 -0.181 3.553 -7.664 1.00 0.01 C ATOM 2390 CD1 LEU A 151 0.764 3.463 -8.865 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -0.169 4.983 -7.106 1.00 0.01 C ATOM 0 H LEU A 151 -1.492 1.890 -5.890 1.00 0.01 H new ATOM 0 HA LEU A 151 -2.702 4.458 -6.773 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -1.625 2.140 -8.436 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -1.894 3.790 -8.963 1.00 0.01 H new ATOM 0 HG LEU A 151 0.147 2.865 -6.885 1.00 0.01 H new ATOM 0 HD11 LEU A 151 1.774 3.728 -8.554 1.00 0.01 H new ATOM 0 HD12 LEU A 151 0.760 2.446 -9.256 1.00 0.01 H new ATOM 0 HD13 LEU A 151 0.432 4.152 -9.642 1.00 0.01 H new ATOM 0 HD21 LEU A 151 0.842 5.242 -6.791 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -0.498 5.678 -7.879 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -0.842 5.046 -6.251 1.00 0.01 H new ATOM 2403 N ASP A 152 -4.825 3.541 -7.855 1.00 0.01 N ATOM 2404 CA ASP A 152 -6.175 3.007 -8.229 1.00 0.01 C ATOM 2405 C ASP A 152 -6.281 2.912 -9.753 1.00 0.00 C ATOM 2406 O ASP A 152 -5.313 3.089 -10.465 1.00 0.01 O ATOM 2407 CB ASP A 152 -7.255 3.958 -7.706 1.00 1.04 C ATOM 2408 CG ASP A 152 -7.090 4.137 -6.196 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -7.443 3.223 -5.469 1.00 1.57 O ATOM 2410 OD2 ASP A 152 -6.615 5.185 -5.792 1.00 2.27 O ATOM 0 H ASP A 152 -4.683 4.530 -8.062 1.00 0.01 H new ATOM 0 HA ASP A 152 -6.311 2.018 -7.792 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -7.179 4.923 -8.208 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -8.245 3.560 -7.930 1.00 1.04 H new ATOM 2415 N LYS A 153 -7.452 2.628 -10.254 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.628 2.516 -11.730 1.00 0.01 C ATOM 2417 C LYS A 153 -7.639 3.914 -12.354 1.00 0.01 C ATOM 2418 O LYS A 153 -8.266 4.141 -13.371 1.00 0.01 O ATOM 2419 CB LYS A 153 -8.955 1.809 -12.028 1.00 0.38 C ATOM 2420 CG LYS A 153 -10.059 2.386 -11.130 1.00 0.71 C ATOM 2421 CD LYS A 153 -11.433 2.048 -11.717 1.00 0.72 C ATOM 2422 CE LYS A 153 -11.612 0.529 -11.776 1.00 1.09 C ATOM 2423 NZ LYS A 153 -11.218 -0.072 -10.471 1.00 1.84 N ATOM 0 H LYS A 153 -8.296 2.468 -9.704 1.00 0.01 H new ATOM 0 HA LYS A 153 -6.804 1.941 -12.153 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -9.220 1.939 -13.077 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -8.855 0.737 -11.855 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -9.973 1.977 -10.123 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -9.945 3.467 -11.046 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -12.219 2.493 -11.106 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -11.527 2.474 -12.716 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -12.650 0.284 -12.002 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -11.003 0.112 -12.578 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -11.696 -0.988 -10.352 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -10.188 -0.214 -10.451 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -11.494 0.566 -9.697 1.00 1.84 H new ATOM 2437 N LYS A 154 -6.948 4.852 -11.751 1.00 0.00 N ATOM 2438 CA LYS A 154 -6.906 6.248 -12.297 1.00 0.01 C ATOM 2439 C LYS A 154 -5.489 6.566 -12.782 1.00 0.01 C ATOM 2440 O LYS A 154 -4.558 5.822 -12.542 1.00 0.00 O ATOM 2441 CB LYS A 154 -7.284 7.237 -11.190 1.00 0.39 C ATOM 2442 CG LYS A 154 -8.588 6.795 -10.525 1.00 0.48 C ATOM 2443 CD LYS A 154 -9.010 7.838 -9.490 1.00 0.97 C ATOM 2444 CE LYS A 154 -10.265 7.355 -8.762 1.00 1.44 C ATOM 2445 NZ LYS A 154 -9.944 6.125 -7.983 1.00 2.28 N ATOM 0 H LYS A 154 -6.407 4.710 -10.898 1.00 0.00 H new ATOM 0 HA LYS A 154 -7.607 6.332 -13.127 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -6.487 7.290 -10.449 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -7.398 8.238 -11.607 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -9.369 6.675 -11.276 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.454 5.825 -10.046 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -8.204 8.004 -8.776 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -9.205 8.793 -9.979 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -10.635 8.134 -8.096 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -11.058 7.147 -9.480 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -10.631 6.015 -7.210 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -9.991 5.296 -8.609 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -8.986 6.205 -7.586 1.00 2.28 H new ATOM 2459 N GLU A 155 -5.323 7.678 -13.453 1.00 0.01 N ATOM 2460 CA GLU A 155 -3.970 8.080 -13.951 1.00 0.01 C ATOM 2461 C GLU A 155 -3.456 9.223 -13.077 1.00 0.01 C ATOM 2462 O GLU A 155 -4.185 10.139 -12.755 1.00 0.01 O ATOM 2463 CB GLU A 155 -4.077 8.553 -15.404 1.00 0.01 C ATOM 2464 CG GLU A 155 -5.099 9.686 -15.506 1.00 0.01 C ATOM 2465 CD GLU A 155 -5.365 10.001 -16.979 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -6.030 9.207 -17.623 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -4.896 11.029 -17.439 1.00 0.01 O ATOM 0 H GLU A 155 -6.073 8.331 -13.680 1.00 0.01 H new ATOM 0 HA GLU A 155 -3.285 7.233 -13.904 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -3.104 8.895 -15.757 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -4.375 7.723 -16.045 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -6.027 9.399 -15.011 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -4.726 10.574 -14.995 1.00 0.01 H new ATOM 2474 N TYR A 156 -2.213 9.167 -12.672 1.00 0.00 N ATOM 2475 CA TYR A 156 -1.654 10.240 -11.796 1.00 0.01 C ATOM 2476 C TYR A 156 -0.828 11.216 -12.630 1.00 0.01 C ATOM 2477 O TYR A 156 0.179 10.852 -13.204 1.00 0.01 O ATOM 2478 CB TYR A 156 -0.787 9.580 -10.726 1.00 0.01 C ATOM 2479 CG TYR A 156 -1.655 8.646 -9.919 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -1.963 7.374 -10.415 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -2.166 9.058 -8.684 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -2.781 6.514 -9.674 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -2.983 8.198 -7.942 1.00 0.01 C ATOM 2484 CZ TYR A 156 -3.291 6.926 -8.437 1.00 0.01 C ATOM 2485 OH TYR A 156 -4.102 6.081 -7.707 1.00 0.01 O ATOM 0 H TYR A 156 -1.559 8.422 -12.911 1.00 0.00 H new ATOM 0 HA TYR A 156 -2.460 10.801 -11.322 1.00 0.01 H new ATOM 0 HB2 TYR A 156 0.033 9.031 -11.188 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -0.341 10.336 -10.080 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -1.569 7.056 -11.369 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -1.930 10.041 -8.303 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -3.019 5.532 -10.056 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -3.376 8.516 -6.987 1.00 0.01 H new ATOM 0 HH TYR A 156 -4.368 6.522 -6.873 1.00 0.01 H new ATOM 2495 N ARG A 157 -1.273 12.441 -12.739 1.00 0.01 N ATOM 2496 CA ARG A 157 -0.545 13.434 -13.583 1.00 0.01 C ATOM 2497 C ARG A 157 0.528 14.158 -12.773 1.00 0.00 C ATOM 2498 O ARG A 157 1.530 14.572 -13.321 1.00 0.01 O ATOM 2499 CB ARG A 157 -1.545 14.456 -14.125 1.00 0.01 C ATOM 2500 CG ARG A 157 -2.443 14.946 -12.988 1.00 0.01 C ATOM 2501 CD ARG A 157 -3.192 16.202 -13.438 1.00 0.00 C ATOM 2502 NE ARG A 157 -2.250 17.356 -13.471 1.00 0.01 N ATOM 2503 CZ ARG A 157 -2.582 18.455 -14.094 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -3.741 18.545 -14.690 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -1.756 19.465 -14.121 1.00 0.01 N ATOM 0 H ARG A 157 -2.111 12.797 -12.279 1.00 0.01 H new ATOM 0 HA ARG A 157 -0.059 12.906 -14.403 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -1.015 15.297 -14.572 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -2.150 14.006 -14.912 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -3.152 14.167 -12.708 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -1.843 15.164 -12.104 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -3.627 16.045 -14.425 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -4.016 16.411 -12.756 1.00 0.00 H new ATOM 0 HE ARG A 157 -1.345 17.288 -13.006 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -4.388 17.757 -14.669 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -3.999 19.404 -15.176 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -0.851 19.396 -13.656 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -2.015 20.323 -14.608 1.00 0.01 H new ATOM 2519 N LYS A 158 0.357 14.303 -11.478 1.00 0.01 N ATOM 2520 CA LYS A 158 1.397 14.981 -10.640 1.00 0.01 C ATOM 2521 C LYS A 158 1.786 14.008 -9.513 1.00 0.01 C ATOM 2522 O LYS A 158 1.003 13.159 -9.141 1.00 0.01 O ATOM 2523 CB LYS A 158 0.804 16.276 -10.046 1.00 0.58 C ATOM 2524 CG LYS A 158 1.052 17.454 -10.997 1.00 0.97 C ATOM 2525 CD LYS A 158 0.569 18.748 -10.341 1.00 1.44 C ATOM 2526 CE LYS A 158 0.808 19.925 -11.289 1.00 2.13 C ATOM 2527 NZ LYS A 158 2.191 19.850 -11.837 1.00 2.54 N ATOM 0 H LYS A 158 -0.463 13.979 -10.965 1.00 0.01 H new ATOM 0 HA LYS A 158 2.274 15.242 -11.232 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -0.266 16.152 -9.879 1.00 0.58 H new ATOM 0 HB3 LYS A 158 1.256 16.481 -9.076 1.00 0.58 H new ATOM 0 HG2 LYS A 158 2.114 17.528 -11.233 1.00 0.97 H new ATOM 0 HG3 LYS A 158 0.526 17.292 -11.938 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -0.491 18.672 -10.100 1.00 1.44 H new ATOM 0 HD3 LYS A 158 1.098 18.911 -9.402 1.00 1.44 H new ATOM 0 HE2 LYS A 158 0.082 19.904 -12.102 1.00 2.13 H new ATOM 0 HE3 LYS A 158 0.666 20.867 -10.759 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 2.474 20.785 -12.193 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 2.846 19.552 -11.086 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 2.219 19.160 -12.615 1.00 2.54 H new ATOM 2541 N PRO A 159 2.965 14.119 -8.954 1.00 0.01 N ATOM 2542 CA PRO A 159 3.368 13.197 -7.853 1.00 0.02 C ATOM 2543 C PRO A 159 2.447 13.344 -6.631 1.00 0.01 C ATOM 2544 O PRO A 159 2.113 12.374 -5.982 1.00 0.01 O ATOM 2545 CB PRO A 159 4.811 13.650 -7.563 1.00 0.41 C ATOM 2546 CG PRO A 159 5.021 15.012 -8.246 1.00 0.70 C ATOM 2547 CD PRO A 159 3.968 15.146 -9.354 1.00 0.28 C ATOM 0 HA PRO A 159 3.297 12.140 -8.110 1.00 0.02 H new ATOM 0 HB2 PRO A 159 4.978 13.731 -6.489 1.00 0.41 H new ATOM 0 HB3 PRO A 159 5.525 12.918 -7.942 1.00 0.41 H new ATOM 0 HG2 PRO A 159 4.921 15.822 -7.523 1.00 0.70 H new ATOM 0 HG3 PRO A 159 6.026 15.080 -8.663 1.00 0.70 H new ATOM 0 HD2 PRO A 159 3.536 16.146 -9.388 1.00 0.28 H new ATOM 0 HD3 PRO A 159 4.386 14.946 -10.341 1.00 0.28 H new ATOM 2555 N VAL A 160 2.053 14.532 -6.299 1.00 0.01 N ATOM 2556 CA VAL A 160 1.172 14.708 -5.109 1.00 0.02 C ATOM 2557 C VAL A 160 -0.150 13.963 -5.326 1.00 0.02 C ATOM 2558 O VAL A 160 -0.882 13.703 -4.392 1.00 0.02 O ATOM 2559 CB VAL A 160 0.893 16.199 -4.909 1.00 0.14 C ATOM 2560 CG1 VAL A 160 0.026 16.396 -3.664 1.00 0.86 C ATOM 2561 CG2 VAL A 160 2.218 16.941 -4.728 1.00 0.74 C ATOM 0 H VAL A 160 2.298 15.390 -6.793 1.00 0.01 H new ATOM 0 HA VAL A 160 1.667 14.304 -4.226 1.00 0.02 H new ATOM 0 HB VAL A 160 0.369 16.591 -5.781 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -0.172 17.459 -3.523 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -0.917 15.865 -3.790 1.00 0.86 H new ATOM 0 HG13 VAL A 160 0.549 16.005 -2.791 1.00 0.86 H new ATOM 0 HG21 VAL A 160 2.023 18.004 -4.585 1.00 0.74 H new ATOM 0 HG22 VAL A 160 2.739 16.547 -3.855 1.00 0.74 H new ATOM 0 HG23 VAL A 160 2.837 16.801 -5.614 1.00 0.74 H new ATOM 2571 N ASP A 161 -0.479 13.637 -6.546 1.00 0.00 N ATOM 2572 CA ASP A 161 -1.773 12.940 -6.798 1.00 0.01 C ATOM 2573 C ASP A 161 -1.812 11.527 -6.187 1.00 0.01 C ATOM 2574 O ASP A 161 -2.883 10.992 -5.975 1.00 0.01 O ATOM 2575 CB ASP A 161 -2.001 12.824 -8.304 1.00 0.00 C ATOM 2576 CG ASP A 161 -2.099 14.223 -8.915 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -1.684 15.164 -8.259 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -2.588 14.329 -10.028 1.00 0.00 O ATOM 0 H ASP A 161 0.087 13.821 -7.374 1.00 0.00 H new ATOM 0 HA ASP A 161 -2.555 13.533 -6.324 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -1.183 12.271 -8.765 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -2.915 12.264 -8.502 1.00 0.00 H new ATOM 2583 N TRP A 162 -0.680 10.920 -5.872 1.00 0.01 N ATOM 2584 CA TRP A 162 -0.726 9.544 -5.241 1.00 0.01 C ATOM 2585 C TRP A 162 -0.488 9.655 -3.729 1.00 0.01 C ATOM 2586 O TRP A 162 -0.252 8.672 -3.054 1.00 0.01 O ATOM 2587 CB TRP A 162 0.268 8.554 -5.880 1.00 0.01 C ATOM 2588 CG TRP A 162 1.596 9.173 -6.164 1.00 0.02 C ATOM 2589 CD1 TRP A 162 2.337 9.883 -5.290 1.00 0.01 C ATOM 2590 CD2 TRP A 162 2.368 9.098 -7.394 1.00 0.01 C ATOM 2591 NE1 TRP A 162 3.514 10.265 -5.913 1.00 0.01 N ATOM 2592 CE2 TRP A 162 3.578 9.802 -7.211 1.00 0.01 C ATOM 2593 CE3 TRP A 162 2.133 8.496 -8.644 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 4.524 9.906 -8.230 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 3.084 8.597 -9.672 1.00 0.01 C ATOM 2596 CH2 TRP A 162 4.278 9.301 -9.465 1.00 0.01 C ATOM 0 H TRP A 162 0.253 11.305 -6.019 1.00 0.01 H new ATOM 0 HA TRP A 162 -1.721 9.138 -5.426 1.00 0.01 H new ATOM 0 HB2 TRP A 162 0.404 7.702 -5.214 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -0.155 8.169 -6.808 1.00 0.01 H new ATOM 0 HD1 TRP A 162 2.059 10.116 -4.273 1.00 0.01 H new ATOM 0 HE1 TRP A 162 4.244 10.820 -5.467 1.00 0.01 H new ATOM 0 HE3 TRP A 162 1.215 7.953 -8.814 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 5.442 10.451 -8.066 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 2.894 8.130 -10.627 1.00 0.01 H new ATOM 0 HH2 TRP A 162 5.007 9.376 -10.259 1.00 0.01 H new ATOM 2607 N GLY A 163 -0.616 10.838 -3.187 1.00 0.02 N ATOM 2608 CA GLY A 163 -0.472 11.012 -1.708 1.00 0.01 C ATOM 2609 C GLY A 163 0.988 11.175 -1.269 1.00 0.01 C ATOM 2610 O GLY A 163 1.292 11.119 -0.094 1.00 0.01 O ATOM 0 H GLY A 163 -0.815 11.694 -3.705 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -1.041 11.886 -1.392 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -0.905 10.150 -1.201 1.00 0.01 H new ATOM 2614 N ALA A 164 1.898 11.357 -2.190 1.00 0.01 N ATOM 2615 CA ALA A 164 3.340 11.502 -1.806 1.00 0.02 C ATOM 2616 C ALA A 164 3.742 12.976 -1.825 1.00 0.01 C ATOM 2617 O ALA A 164 3.341 13.737 -2.682 1.00 0.02 O ATOM 2618 CB ALA A 164 4.204 10.767 -2.830 1.00 0.01 C ATOM 0 H ALA A 164 1.709 11.412 -3.191 1.00 0.01 H new ATOM 0 HA ALA A 164 3.482 11.090 -0.807 1.00 0.02 H new ATOM 0 HB1 ALA A 164 5.255 10.867 -2.558 1.00 0.01 H new ATOM 0 HB2 ALA A 164 3.932 9.712 -2.845 1.00 0.01 H new ATOM 0 HB3 ALA A 164 4.042 11.197 -3.818 1.00 0.01 H new ATOM 2624 N ALA A 165 4.544 13.375 -0.875 1.00 0.02 N ATOM 2625 CA ALA A 165 4.999 14.791 -0.808 1.00 0.01 C ATOM 2626 C ALA A 165 6.217 14.989 -1.714 1.00 0.02 C ATOM 2627 O ALA A 165 6.664 16.100 -1.923 1.00 0.01 O ATOM 2628 CB ALA A 165 5.387 15.141 0.628 1.00 0.59 C ATOM 0 H ALA A 165 4.906 12.773 -0.136 1.00 0.02 H new ATOM 0 HA ALA A 165 4.187 15.438 -1.139 1.00 0.01 H new ATOM 0 HB1 ALA A 165 5.719 16.178 0.673 1.00 0.59 H new ATOM 0 HB2 ALA A 165 4.524 15.008 1.281 1.00 0.59 H new ATOM 0 HB3 ALA A 165 6.195 14.487 0.956 1.00 0.59 H new ATOM 2634 N SER A 166 6.760 13.927 -2.262 1.00 0.01 N ATOM 2635 CA SER A 166 7.949 14.060 -3.165 1.00 0.01 C ATOM 2636 C SER A 166 7.820 13.048 -4.323 1.00 0.02 C ATOM 2637 O SER A 166 7.248 11.991 -4.143 1.00 0.01 O ATOM 2638 CB SER A 166 9.220 13.754 -2.370 1.00 0.72 C ATOM 2639 OG SER A 166 9.269 14.594 -1.225 1.00 0.87 O ATOM 0 H SER A 166 6.430 12.972 -2.123 1.00 0.01 H new ATOM 0 HA SER A 166 7.998 15.073 -3.564 1.00 0.01 H new ATOM 0 HB2 SER A 166 9.231 12.707 -2.068 1.00 0.72 H new ATOM 0 HB3 SER A 166 10.100 13.916 -2.992 1.00 0.72 H new ATOM 0 HG SER A 166 10.081 14.400 -0.712 1.00 0.87 H new ATOM 2645 N PRO A 167 8.351 13.335 -5.502 1.00 0.02 N ATOM 2646 CA PRO A 167 8.260 12.365 -6.635 1.00 0.01 C ATOM 2647 C PRO A 167 9.230 11.188 -6.468 1.00 0.01 C ATOM 2648 O PRO A 167 9.560 10.505 -7.422 1.00 0.01 O ATOM 2649 CB PRO A 167 8.671 13.236 -7.832 1.00 0.38 C ATOM 2650 CG PRO A 167 9.476 14.420 -7.277 1.00 0.35 C ATOM 2651 CD PRO A 167 9.061 14.619 -5.808 1.00 0.22 C ATOM 0 HA PRO A 167 7.276 11.905 -6.725 1.00 0.01 H new ATOM 0 HB2 PRO A 167 9.270 12.661 -8.538 1.00 0.38 H new ATOM 0 HB3 PRO A 167 7.792 13.588 -8.372 1.00 0.38 H new ATOM 0 HG2 PRO A 167 10.546 14.223 -7.349 1.00 0.35 H new ATOM 0 HG3 PRO A 167 9.278 15.322 -7.856 1.00 0.35 H new ATOM 0 HD2 PRO A 167 9.923 14.772 -5.159 1.00 0.22 H new ATOM 0 HD3 PRO A 167 8.410 15.484 -5.683 1.00 0.22 H new ATOM 2659 N ALA A 168 9.717 10.962 -5.279 1.00 0.01 N ATOM 2660 CA ALA A 168 10.691 9.852 -5.092 1.00 0.01 C ATOM 2661 C ALA A 168 9.970 8.511 -4.950 1.00 0.01 C ATOM 2662 O ALA A 168 9.145 8.301 -4.083 1.00 0.02 O ATOM 2663 CB ALA A 168 11.513 10.113 -3.831 1.00 0.18 C ATOM 0 H ALA A 168 9.486 11.491 -4.438 1.00 0.01 H new ATOM 0 HA ALA A 168 11.340 9.808 -5.967 1.00 0.01 H new ATOM 0 HB1 ALA A 168 12.228 9.303 -3.689 1.00 0.18 H new ATOM 0 HB2 ALA A 168 12.049 11.056 -3.935 1.00 0.18 H new ATOM 0 HB3 ALA A 168 10.849 10.166 -2.968 1.00 0.18 H new ATOM 2669 N ILE A 169 10.319 7.607 -5.821 1.00 0.01 N ATOM 2670 CA ILE A 169 9.730 6.239 -5.822 1.00 0.01 C ATOM 2671 C ILE A 169 10.821 5.300 -6.325 1.00 0.01 C ATOM 2672 O ILE A 169 11.404 5.537 -7.364 1.00 0.01 O ATOM 2673 CB ILE A 169 8.517 6.193 -6.770 1.00 1.81 C ATOM 2674 CG1 ILE A 169 7.740 7.519 -6.689 1.00 2.75 C ATOM 2675 CG2 ILE A 169 7.593 5.032 -6.379 1.00 2.24 C ATOM 2676 CD1 ILE A 169 6.523 7.495 -7.630 1.00 3.99 C ATOM 0 H ILE A 169 11.010 7.765 -6.555 1.00 0.01 H new ATOM 0 HA ILE A 169 9.389 5.952 -4.827 1.00 0.01 H new ATOM 0 HB ILE A 169 8.870 6.044 -7.790 1.00 1.81 H new ATOM 0 HG12 ILE A 169 7.410 7.691 -5.664 1.00 2.75 H new ATOM 0 HG13 ILE A 169 8.396 8.347 -6.956 1.00 2.75 H new ATOM 0 HG21 ILE A 169 6.737 5.005 -7.053 1.00 2.24 H new ATOM 0 HG22 ILE A 169 8.140 4.092 -6.449 1.00 2.24 H new ATOM 0 HG23 ILE A 169 7.244 5.173 -5.356 1.00 2.24 H new ATOM 0 HD11 ILE A 169 5.988 8.442 -7.557 1.00 3.99 H new ATOM 0 HD12 ILE A 169 6.859 7.346 -8.656 1.00 3.99 H new ATOM 0 HD13 ILE A 169 5.858 6.680 -7.344 1.00 3.99 H new ATOM 2688 N GLN A 170 11.140 4.263 -5.585 1.00 0.01 N ATOM 2689 CA GLN A 170 12.238 3.340 -6.008 1.00 0.01 C ATOM 2690 C GLN A 170 11.729 1.938 -6.355 1.00 0.02 C ATOM 2691 O GLN A 170 12.444 1.188 -6.989 1.00 0.01 O ATOM 2692 CB GLN A 170 13.265 3.253 -4.878 1.00 2.62 C ATOM 2693 CG GLN A 170 13.834 4.652 -4.618 1.00 3.39 C ATOM 2694 CD GLN A 170 14.787 5.032 -5.753 1.00 4.36 C ATOM 2695 OE1 GLN A 170 14.754 6.142 -6.243 1.00 4.83 O ATOM 2696 NE2 GLN A 170 15.641 4.149 -6.193 1.00 5.17 N ATOM 0 H GLN A 170 10.685 4.018 -4.706 1.00 0.01 H new ATOM 0 HA GLN A 170 12.688 3.745 -6.914 1.00 0.01 H new ATOM 0 HB2 GLN A 170 12.799 2.861 -3.974 1.00 2.62 H new ATOM 0 HB3 GLN A 170 14.066 2.564 -5.148 1.00 2.62 H new ATOM 0 HG2 GLN A 170 13.025 5.379 -4.549 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.361 4.671 -3.664 1.00 3.39 H new ATOM 0 HE21 GLN A 170 15.668 3.216 -5.781 1.00 5.17 H new ATOM 0 HE22 GLN A 170 16.281 4.391 -6.949 1.00 5.17 H new ATOM 2705 N SER A 171 10.535 1.529 -5.987 1.00 0.01 N ATOM 2706 CA SER A 171 10.117 0.142 -6.369 1.00 0.01 C ATOM 2707 C SER A 171 8.587 0.035 -6.383 1.00 0.01 C ATOM 2708 O SER A 171 7.888 0.806 -5.758 1.00 0.01 O ATOM 2709 CB SER A 171 10.692 -0.849 -5.360 1.00 0.01 C ATOM 2710 OG SER A 171 10.367 -0.424 -4.045 1.00 0.02 O ATOM 0 H SER A 171 9.854 2.074 -5.458 1.00 0.01 H new ATOM 0 HA SER A 171 10.493 -0.086 -7.366 1.00 0.01 H new ATOM 0 HB2 SER A 171 10.289 -1.845 -5.542 1.00 0.01 H new ATOM 0 HB3 SER A 171 11.774 -0.916 -5.476 1.00 0.01 H new ATOM 0 HG SER A 171 11.164 -0.049 -3.616 1.00 0.02 H new ATOM 2716 N PHE A 172 8.060 -0.940 -7.083 1.00 0.01 N ATOM 2717 CA PHE A 172 6.575 -1.116 -7.121 1.00 0.01 C ATOM 2718 C PHE A 172 6.225 -2.585 -7.379 1.00 0.01 C ATOM 2719 O PHE A 172 7.009 -3.334 -7.934 1.00 0.01 O ATOM 2720 CB PHE A 172 5.950 -0.223 -8.202 1.00 1.06 C ATOM 2721 CG PHE A 172 6.566 -0.490 -9.559 1.00 0.75 C ATOM 2722 CD1 PHE A 172 6.211 -1.638 -10.280 1.00 0.75 C ATOM 2723 CD2 PHE A 172 7.471 0.428 -10.110 1.00 1.29 C ATOM 2724 CE1 PHE A 172 6.763 -1.869 -11.546 1.00 1.16 C ATOM 2725 CE2 PHE A 172 8.019 0.197 -11.378 1.00 2.02 C ATOM 2726 CZ PHE A 172 7.666 -0.951 -12.095 1.00 1.92 C ATOM 0 H PHE A 172 8.592 -1.619 -7.628 1.00 0.01 H new ATOM 0 HA PHE A 172 6.168 -0.820 -6.154 1.00 0.01 H new ATOM 0 HB2 PHE A 172 4.875 -0.400 -8.247 1.00 1.06 H new ATOM 0 HB3 PHE A 172 6.090 0.825 -7.937 1.00 1.06 H new ATOM 0 HD1 PHE A 172 5.511 -2.345 -9.859 1.00 0.75 H new ATOM 0 HD2 PHE A 172 7.746 1.314 -9.556 1.00 1.29 H new ATOM 0 HE1 PHE A 172 6.492 -2.756 -12.099 1.00 1.16 H new ATOM 0 HE2 PHE A 172 8.715 0.906 -11.803 1.00 2.02 H new ATOM 0 HZ PHE A 172 8.090 -1.129 -13.072 1.00 1.92 H new ATOM 2736 N ARG A 173 5.062 -3.015 -6.953 1.00 0.01 N ATOM 2737 CA ARG A 173 4.670 -4.448 -7.149 1.00 0.01 C ATOM 2738 C ARG A 173 3.173 -4.562 -7.435 1.00 0.01 C ATOM 2739 O ARG A 173 2.368 -3.776 -6.972 1.00 0.01 O ATOM 2740 CB ARG A 173 4.953 -5.237 -5.867 1.00 0.01 C ATOM 2741 CG ARG A 173 6.461 -5.251 -5.545 1.00 0.01 C ATOM 2742 CD ARG A 173 6.834 -6.552 -4.811 1.00 0.01 C ATOM 2743 NE ARG A 173 5.677 -7.037 -3.986 1.00 0.01 N ATOM 2744 CZ ARG A 173 5.100 -6.271 -3.099 1.00 0.01 C ATOM 2745 NH1 ARG A 173 5.599 -5.100 -2.811 1.00 0.01 N ATOM 2746 NH2 ARG A 173 4.041 -6.699 -2.466 1.00 0.01 N ATOM 0 H ARG A 173 4.368 -2.438 -6.479 1.00 0.01 H new ATOM 0 HA ARG A 173 5.243 -4.842 -7.988 1.00 0.01 H new ATOM 0 HB2 ARG A 173 4.405 -4.794 -5.035 1.00 0.01 H new ATOM 0 HB3 ARG A 173 4.592 -6.260 -5.979 1.00 0.01 H new ATOM 0 HG2 ARG A 173 7.038 -5.166 -6.466 1.00 0.01 H new ATOM 0 HG3 ARG A 173 6.717 -4.390 -4.928 1.00 0.01 H new ATOM 0 HD2 ARG A 173 7.119 -7.316 -5.534 1.00 0.01 H new ATOM 0 HD3 ARG A 173 7.699 -6.381 -4.171 1.00 0.01 H new ATOM 0 HE ARG A 173 5.333 -7.988 -4.121 1.00 0.01 H new ATOM 0 HH11 ARG A 173 6.445 -4.777 -3.280 1.00 0.01 H new ATOM 0 HH12 ARG A 173 5.143 -4.508 -2.117 1.00 0.01 H new ATOM 0 HH21 ARG A 173 3.668 -7.627 -2.665 1.00 0.01 H new ATOM 0 HH22 ARG A 173 3.587 -6.105 -1.772 1.00 0.01 H new ATOM 2760 N ARG A 174 2.795 -5.568 -8.178 1.00 0.01 N ATOM 2761 CA ARG A 174 1.354 -5.787 -8.484 1.00 0.01 C ATOM 2762 C ARG A 174 0.747 -6.623 -7.354 1.00 0.01 C ATOM 2763 O ARG A 174 1.384 -7.512 -6.821 1.00 0.01 O ATOM 2764 CB ARG A 174 1.209 -6.548 -9.806 1.00 0.01 C ATOM 2765 CG ARG A 174 2.232 -7.684 -9.856 1.00 0.01 C ATOM 2766 CD ARG A 174 1.938 -8.584 -11.057 1.00 0.01 C ATOM 2767 NE ARG A 174 3.110 -9.468 -11.315 1.00 0.01 N ATOM 2768 CZ ARG A 174 2.980 -10.519 -12.075 1.00 0.01 C ATOM 2769 NH1 ARG A 174 1.821 -10.801 -12.605 1.00 0.01 N ATOM 2770 NH2 ARG A 174 4.007 -11.291 -12.303 1.00 0.01 N ATOM 0 H ARG A 174 3.430 -6.253 -8.589 1.00 0.01 H new ATOM 0 HA ARG A 174 0.844 -4.828 -8.570 1.00 0.01 H new ATOM 0 HB2 ARG A 174 0.200 -6.949 -9.898 1.00 0.01 H new ATOM 0 HB3 ARG A 174 1.361 -5.871 -10.646 1.00 0.01 H new ATOM 0 HG2 ARG A 174 3.240 -7.276 -9.932 1.00 0.01 H new ATOM 0 HG3 ARG A 174 2.191 -8.265 -8.935 1.00 0.01 H new ATOM 0 HD2 ARG A 174 1.050 -9.186 -10.865 1.00 0.01 H new ATOM 0 HD3 ARG A 174 1.727 -7.977 -11.937 1.00 0.01 H new ATOM 0 HE ARG A 174 4.014 -9.250 -10.897 1.00 0.01 H new ATOM 0 HH11 ARG A 174 1.018 -10.199 -12.424 1.00 0.01 H new ATOM 0 HH12 ARG A 174 1.719 -11.623 -13.200 1.00 0.01 H new ATOM 0 HH21 ARG A 174 4.912 -11.072 -11.886 1.00 0.01 H new ATOM 0 HH22 ARG A 174 3.905 -12.113 -12.898 1.00 0.01 H new ATOM 2784 N ILE A 175 -0.476 -6.357 -6.989 1.00 0.01 N ATOM 2785 CA ILE A 175 -1.121 -7.152 -5.895 1.00 0.01 C ATOM 2786 C ILE A 175 -1.933 -8.296 -6.508 1.00 0.00 C ATOM 2787 O ILE A 175 -2.751 -8.082 -7.381 1.00 0.01 O ATOM 2788 CB ILE A 175 -2.050 -6.258 -5.061 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -1.387 -4.898 -4.837 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -2.317 -6.914 -3.707 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -2.284 -4.025 -3.951 1.00 3.04 C ATOM 0 H ILE A 175 -1.059 -5.626 -7.397 1.00 0.01 H new ATOM 0 HA ILE A 175 -0.343 -7.555 -5.247 1.00 0.01 H new ATOM 0 HB ILE A 175 -2.991 -6.125 -5.594 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -0.413 -5.031 -4.366 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -1.214 -4.405 -5.794 1.00 2.51 H new ATOM 0 HG21 ILE A 175 -2.977 -6.277 -3.118 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -2.790 -7.884 -3.860 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -1.375 -7.050 -3.176 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.808 -3.057 -3.794 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -3.248 -3.881 -4.439 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -2.434 -4.516 -2.990 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.716 -9.510 -6.062 1.00 0.01 N ATOM 2804 CA VAL A 176 -2.477 -10.674 -6.621 1.00 0.00 C ATOM 2805 C VAL A 176 -2.913 -11.596 -5.480 1.00 0.01 C ATOM 2806 O VAL A 176 -2.229 -11.736 -4.485 1.00 0.00 O ATOM 2807 CB VAL A 176 -1.578 -11.463 -7.575 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -0.348 -11.966 -6.816 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -2.354 -12.656 -8.139 1.00 1.89 C ATOM 0 H VAL A 176 -1.043 -9.746 -5.333 1.00 0.01 H new ATOM 0 HA VAL A 176 -3.352 -10.305 -7.156 1.00 0.00 H new ATOM 0 HB VAL A 176 -1.261 -10.817 -8.394 1.00 1.38 H new ATOM 0 HG11 VAL A 176 0.293 -12.528 -7.495 1.00 1.88 H new ATOM 0 HG12 VAL A 176 0.205 -11.116 -6.415 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -0.665 -12.612 -5.997 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -1.714 -13.218 -8.819 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -2.672 -13.303 -7.321 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -3.230 -12.298 -8.679 1.00 1.89 H new ATOM 2819 N GLU A 177 -4.046 -12.228 -5.621 1.00 0.01 N ATOM 2820 CA GLU A 177 -4.538 -13.147 -4.554 1.00 0.01 C ATOM 2821 C GLU A 177 -5.495 -14.172 -5.167 1.00 0.01 C ATOM 2822 O GLU A 177 -6.003 -15.044 -4.489 1.00 0.01 O ATOM 2823 CB GLU A 177 -5.269 -12.334 -3.476 1.00 2.15 C ATOM 2824 CG GLU A 177 -5.351 -13.144 -2.179 1.00 3.19 C ATOM 2825 CD GLU A 177 -5.958 -12.278 -1.073 1.00 4.20 C ATOM 2826 OE1 GLU A 177 -5.343 -11.284 -0.719 1.00 4.89 O ATOM 2827 OE2 GLU A 177 -7.027 -12.622 -0.597 1.00 4.77 O ATOM 0 H GLU A 177 -4.656 -12.147 -6.434 1.00 0.01 H new ATOM 0 HA GLU A 177 -3.694 -13.668 -4.101 1.00 0.01 H new ATOM 0 HB2 GLU A 177 -4.744 -11.396 -3.297 1.00 2.15 H new ATOM 0 HB3 GLU A 177 -6.271 -12.077 -3.819 1.00 2.15 H new ATOM 0 HG2 GLU A 177 -5.959 -14.035 -2.332 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -4.357 -13.483 -1.886 1.00 3.19 H new