USER MOD reduce.3.24.130724 H: found=0, std=0, add=1326, rem=0, adj=43 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 114 CYS SG : rot 107:sc= 0.594 USER MOD Set 1.2: A 120 GLN : amide:sc= -3.23! C(o=-2.6!,f=-7.9!) USER MOD Set 2.1: A 49 TYR OH : rot 180:sc=-0.00968 USER MOD Set 2.2: A 58 MET CE :methyl 170:sc= -0.566 (180deg=-0.744) USER MOD Set 3.1: A 20 TYR OH : rot -131:sc= 0.0036 USER MOD Set 3.2: A 22 CYS SG : rot -107:sc= 0.236 USER MOD Set 3.3: A 26 CYS SG : rot 148:sc= -0.823 USER MOD Single : A 6 LYS NZ :NH3+ 140:sc= -1.69 (180deg=-4.34!) USER MOD Single : A 8 SER OG : rot 91:sc= 0.329 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.0404 USER MOD Single : A 14 ASN : amide:sc= -4.85! C(o=-4.9!,f=-2.1!) USER MOD Single : A 16 GLN : amide:sc= -0.833 K(o=-0.83,f=-0.28) USER MOD Single : A 24 CYS SG : rot 17:sc= -0.0274 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -9:sc= 0.764 USER MOD Single : A 36 CYS SG : rot 38:sc= -2.22! USER MOD Single : A 37 ASN : amide:sc= -3.49! C(o=-3.5!,f=-12!) USER MOD Single : A 38 SER OG : rot -156:sc= -1.64! USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.953 K(o=-0.95,f=-0.37) USER MOD Single : A 55 SER OG : rot -89:sc= 0.522 USER MOD Single : A 57 HIS : no HD1:sc= -0.668 K(o=-0.67,f=-3.1!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.279 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -3.86! C(o=-3.9!,f=-5.1!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.79! C(o=-1.8!,f=-11!) USER MOD Single : A 81 SER OG : rot -149:sc= 0.236 USER MOD Single : A 82 CYS SG : rot 21:sc= -1.03! USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 88 SER OG : rot -6:sc= 0.979 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0783 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= -0.619 (180deg=-0.782) USER MOD Single : A 96 GLN : amide:sc= -11.5! C(o=-11!,f=-8.8!) USER MOD Single : A 100 LYS NZ :NH3+ -153:sc= -0.862 (180deg=-1.48) USER MOD Single : A 104 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.75) USER MOD Single : A 106 GLN : amide:sc= -2.83! K(o=-2.8!,f=-0.34) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.244 USER MOD Single : A 111 THR OG1 : rot 71:sc= 0.738 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HE2:sc= -1.38 K(o=-1.4,f=-3!) USER MOD Single : A 127 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.23) USER MOD Single : A 128 SER OG : rot -104:sc= 0.214 USER MOD Single : A 129 CYS SG : rot 58:sc= -1.73! USER MOD Single : A 130 LYS NZ :NH3+ 178:sc= -0.101 (180deg=-0.166) USER MOD Single : A 139 TYR OH : rot -164:sc= -0.0335 USER MOD Single : A 143 ASN : amide:sc= -0.415 X(o=-0.41,f=-0.48) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -0.381 K(o=-0.38,f=-2.1!) USER MOD Single : A 149 TYR OH : rot 0:sc= 0.33 USER MOD Single : A 153 LYS NZ :NH3+ -168:sc=-0.00169 (180deg=-0.217) USER MOD Single : A 154 LYS NZ :NH3+ 164:sc=-0.00709 (180deg=-0.167) USER MOD Single : A 156 TYR OH : rot 70:sc= 1.03 USER MOD Single : A 158 LYS NZ :NH3+ -158:sc= -0.0375 (180deg=-0.287) USER MOD Single : A 166 SER OG : rot 180:sc= 0.0457 USER MOD Single : A 170 GLN : amide:sc= -7.35! C(o=-7.3!,f=-3.9!) USER MOD Single : A 171 SER OG : rot 35:sc= -0.585 USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 4 -15.506 -12.117 0.985 1.00 0.52 N ATOM 51 CA GLY A 4 -15.927 -11.415 2.234 1.00 0.30 C ATOM 52 C GLY A 4 -14.645 -11.170 3.032 1.00 0.41 C ATOM 53 O GLY A 4 -14.161 -12.026 3.746 1.00 0.81 O ATOM 0 HA2 GLY A 4 -16.429 -10.475 2.003 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -16.632 -12.021 2.804 1.00 0.30 H new ATOM 57 N GLY A 5 -14.084 -10.001 2.878 1.00 0.01 N ATOM 58 CA GLY A 5 -12.814 -9.677 3.587 1.00 0.01 C ATOM 59 C GLY A 5 -13.072 -9.338 5.058 1.00 0.01 C ATOM 60 O GLY A 5 -14.079 -8.758 5.412 1.00 0.01 O ATOM 0 H GLY A 5 -14.453 -9.254 2.289 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -12.131 -10.524 3.521 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -12.326 -8.835 3.097 1.00 0.01 H new ATOM 64 N LYS A 6 -12.148 -9.690 5.908 1.00 0.00 N ATOM 65 CA LYS A 6 -12.288 -9.396 7.364 1.00 0.01 C ATOM 66 C LYS A 6 -10.893 -9.278 7.978 1.00 0.01 C ATOM 67 O LYS A 6 -10.003 -10.061 7.680 1.00 0.00 O ATOM 68 CB LYS A 6 -13.070 -10.512 8.065 1.00 0.02 C ATOM 69 CG LYS A 6 -13.412 -10.077 9.500 1.00 0.02 C ATOM 70 CD LYS A 6 -13.836 -11.287 10.351 1.00 0.02 C ATOM 71 CE LYS A 6 -15.284 -11.680 10.038 1.00 0.02 C ATOM 72 NZ LYS A 6 -15.357 -12.276 8.673 1.00 0.02 N ATOM 0 H LYS A 6 -11.289 -10.176 5.653 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.834 -8.462 7.493 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.984 -10.732 7.513 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.480 -11.428 8.083 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -12.547 -9.593 9.954 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.216 -9.341 9.480 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -13.173 -12.129 10.153 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -13.738 -11.047 11.410 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -15.645 -12.395 10.778 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -15.930 -10.804 10.098 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -16.012 -13.084 8.682 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -15.699 -11.561 8.000 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -14.412 -12.599 8.384 1.00 0.02 H new ATOM 86 N ILE A 7 -10.711 -8.304 8.841 1.00 0.02 N ATOM 87 CA ILE A 7 -9.390 -8.096 9.514 1.00 0.00 C ATOM 88 C ILE A 7 -9.605 -7.967 11.026 1.00 0.02 C ATOM 89 O ILE A 7 -10.555 -7.354 11.477 1.00 0.01 O ATOM 90 CB ILE A 7 -8.716 -6.844 8.944 1.00 0.02 C ATOM 91 CG1 ILE A 7 -7.482 -6.494 9.781 1.00 0.02 C ATOM 92 CG2 ILE A 7 -9.691 -5.672 8.970 1.00 0.01 C ATOM 93 CD1 ILE A 7 -6.640 -5.445 9.041 1.00 0.02 C ATOM 0 H ILE A 7 -11.433 -7.636 9.110 1.00 0.02 H new ATOM 0 HA ILE A 7 -8.738 -8.950 9.329 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.415 -7.042 7.915 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -7.787 -6.110 10.754 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -6.888 -7.389 9.964 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -9.205 -4.785 8.563 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -10.567 -5.914 8.368 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -9.999 -5.478 9.997 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -5.762 -5.196 9.637 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -6.323 -5.846 8.078 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -7.236 -4.547 8.881 1.00 0.02 H new ATOM 105 N SER A 8 -8.719 -8.535 11.812 1.00 0.02 N ATOM 106 CA SER A 8 -8.841 -8.450 13.306 1.00 0.02 C ATOM 107 C SER A 8 -7.580 -7.806 13.892 1.00 0.01 C ATOM 108 O SER A 8 -6.475 -8.208 13.600 1.00 0.02 O ATOM 109 CB SER A 8 -9.011 -9.851 13.896 1.00 0.30 C ATOM 110 OG SER A 8 -9.917 -10.592 13.090 1.00 0.39 O ATOM 0 H SER A 8 -7.909 -9.059 11.480 1.00 0.02 H new ATOM 0 HA SER A 8 -9.712 -7.844 13.555 1.00 0.02 H new ATOM 0 HB2 SER A 8 -8.047 -10.359 13.941 1.00 0.30 H new ATOM 0 HB3 SER A 8 -9.385 -9.785 14.918 1.00 0.30 H new ATOM 0 HG SER A 8 -9.420 -11.072 12.395 1.00 0.39 H new ATOM 116 N PHE A 9 -7.753 -6.819 14.738 1.00 0.02 N ATOM 117 CA PHE A 9 -6.585 -6.139 15.387 1.00 0.01 C ATOM 118 C PHE A 9 -6.557 -6.524 16.869 1.00 0.01 C ATOM 119 O PHE A 9 -7.588 -6.589 17.505 1.00 0.02 O ATOM 120 CB PHE A 9 -6.753 -4.618 15.281 1.00 0.02 C ATOM 121 CG PHE A 9 -7.020 -4.210 13.852 1.00 0.01 C ATOM 122 CD1 PHE A 9 -8.305 -4.346 13.316 1.00 0.01 C ATOM 123 CD2 PHE A 9 -5.987 -3.679 13.070 1.00 0.01 C ATOM 124 CE1 PHE A 9 -8.559 -3.949 11.996 1.00 0.02 C ATOM 125 CE2 PHE A 9 -6.241 -3.285 11.750 1.00 0.02 C ATOM 126 CZ PHE A 9 -7.527 -3.421 11.215 1.00 0.02 C ATOM 0 H PHE A 9 -8.664 -6.451 15.010 1.00 0.02 H new ATOM 0 HA PHE A 9 -5.662 -6.443 14.893 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -7.576 -4.293 15.917 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -5.853 -4.121 15.644 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -9.101 -4.757 13.919 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -4.995 -3.573 13.484 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -9.552 -4.051 11.583 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -5.445 -2.876 11.145 1.00 0.02 H new ATOM 0 HZ PHE A 9 -7.722 -3.118 10.197 1.00 0.02 H new ATOM 136 N TYR A 10 -5.393 -6.788 17.423 1.00 0.02 N ATOM 137 CA TYR A 10 -5.302 -7.182 18.872 1.00 0.01 C ATOM 138 C TYR A 10 -4.386 -6.206 19.619 1.00 0.02 C ATOM 139 O TYR A 10 -3.367 -5.768 19.107 1.00 0.01 O ATOM 140 CB TYR A 10 -4.713 -8.590 18.983 1.00 0.02 C ATOM 141 CG TYR A 10 -5.453 -9.543 18.068 1.00 0.02 C ATOM 142 CD1 TYR A 10 -5.272 -9.465 16.681 1.00 0.02 C ATOM 143 CD2 TYR A 10 -6.310 -10.512 18.607 1.00 0.00 C ATOM 144 CE1 TYR A 10 -5.948 -10.353 15.836 1.00 0.02 C ATOM 145 CE2 TYR A 10 -6.986 -11.399 17.760 1.00 0.02 C ATOM 146 CZ TYR A 10 -6.805 -11.319 16.375 1.00 0.00 C ATOM 147 OH TYR A 10 -7.472 -12.194 15.541 1.00 0.02 O ATOM 0 H TYR A 10 -4.499 -6.748 16.933 1.00 0.02 H new ATOM 0 HA TYR A 10 -6.300 -7.159 19.309 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -3.655 -8.571 18.721 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -4.779 -8.939 20.013 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -4.611 -8.720 16.264 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -6.449 -10.575 19.676 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.808 -10.292 14.767 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -7.647 -12.145 18.176 1.00 0.02 H new ATOM 0 HH TYR A 10 -8.025 -12.800 16.077 1.00 0.02 H new ATOM 157 N GLU A 11 -4.762 -5.825 20.819 1.00 0.00 N ATOM 158 CA GLU A 11 -3.946 -4.845 21.595 1.00 0.02 C ATOM 159 C GLU A 11 -2.610 -5.447 22.045 1.00 0.03 C ATOM 160 O GLU A 11 -1.646 -4.727 22.215 1.00 0.03 O ATOM 161 CB GLU A 11 -4.737 -4.409 22.846 1.00 0.00 C ATOM 162 CG GLU A 11 -5.742 -3.304 22.485 1.00 0.00 C ATOM 163 CD GLU A 11 -5.047 -1.940 22.503 1.00 0.02 C ATOM 164 OE1 GLU A 11 -3.832 -1.916 22.401 1.00 0.02 O ATOM 165 OE2 GLU A 11 -5.742 -0.944 22.623 1.00 0.01 O ATOM 0 H GLU A 11 -5.603 -6.154 21.293 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.738 -3.994 20.946 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -5.264 -5.265 23.268 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.050 -4.049 23.612 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.165 -3.493 21.498 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.571 -3.309 23.193 1.00 0.00 H new ATOM 172 N ASP A 12 -2.528 -6.743 22.253 1.00 0.02 N ATOM 173 CA ASP A 12 -1.233 -7.351 22.705 1.00 0.01 C ATOM 174 C ASP A 12 -0.674 -8.277 21.629 1.00 0.02 C ATOM 175 O ASP A 12 -1.321 -8.594 20.650 1.00 0.02 O ATOM 176 CB ASP A 12 -1.460 -8.163 23.982 1.00 0.01 C ATOM 177 CG ASP A 12 -0.117 -8.684 24.497 1.00 0.01 C ATOM 178 OD1 ASP A 12 0.614 -7.904 25.085 1.00 0.03 O ATOM 179 OD2 ASP A 12 0.159 -9.856 24.296 1.00 0.02 O ATOM 0 H ASP A 12 -3.297 -7.402 22.130 1.00 0.02 H new ATOM 0 HA ASP A 12 -0.523 -6.545 22.894 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -1.937 -7.543 24.741 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -2.133 -8.996 23.782 1.00 0.01 H new ATOM 184 N ARG A 13 0.541 -8.700 21.820 1.00 0.02 N ATOM 185 CA ARG A 13 1.208 -9.601 20.842 1.00 0.02 C ATOM 186 C ARG A 13 0.633 -11.014 20.955 1.00 0.00 C ATOM 187 O ARG A 13 0.090 -11.402 21.968 1.00 0.02 O ATOM 188 CB ARG A 13 2.702 -9.630 21.167 1.00 0.00 C ATOM 189 CG ARG A 13 3.333 -8.297 20.763 1.00 0.01 C ATOM 190 CD ARG A 13 4.760 -8.218 21.307 1.00 0.02 C ATOM 191 NE ARG A 13 5.287 -6.839 21.108 1.00 0.03 N ATOM 192 CZ ARG A 13 6.354 -6.448 21.748 1.00 0.02 C ATOM 193 NH1 ARG A 13 6.961 -7.267 22.561 1.00 0.02 N ATOM 194 NH2 ARG A 13 6.809 -5.238 21.575 1.00 0.02 N ATOM 0 H ARG A 13 1.112 -8.455 22.629 1.00 0.02 H new ATOM 0 HA ARG A 13 1.044 -9.239 19.827 1.00 0.02 H new ATOM 0 HB2 ARG A 13 2.851 -9.808 22.232 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.186 -10.450 20.636 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.341 -8.202 19.677 1.00 0.01 H new ATOM 0 HG3 ARG A 13 2.739 -7.470 21.151 1.00 0.01 H new ATOM 0 HD2 ARG A 13 4.772 -8.475 22.366 1.00 0.02 H new ATOM 0 HD3 ARG A 13 5.397 -8.940 20.796 1.00 0.02 H new ATOM 0 HE ARG A 13 4.813 -6.200 20.470 1.00 0.03 H new ATOM 0 HH11 ARG A 13 6.601 -8.212 22.696 1.00 0.02 H new ATOM 0 HH12 ARG A 13 7.796 -6.963 23.062 1.00 0.02 H new ATOM 0 HH21 ARG A 13 6.330 -4.599 20.940 1.00 0.02 H new ATOM 0 HH22 ARG A 13 7.643 -4.931 22.075 1.00 0.02 H new ATOM 208 N ASN A 14 0.767 -11.786 19.907 1.00 0.02 N ATOM 209 CA ASN A 14 0.257 -13.189 19.911 1.00 0.02 C ATOM 210 C ASN A 14 -1.272 -13.217 20.004 1.00 0.02 C ATOM 211 O ASN A 14 -1.859 -14.078 20.629 1.00 0.02 O ATOM 212 CB ASN A 14 0.890 -13.950 21.079 1.00 0.26 C ATOM 213 CG ASN A 14 2.349 -13.521 21.234 1.00 0.12 C ATOM 214 OD1 ASN A 14 3.238 -14.142 20.687 1.00 0.74 O ATOM 215 ND2 ASN A 14 2.637 -12.478 21.963 1.00 0.46 N ATOM 0 H ASN A 14 1.215 -11.499 19.037 1.00 0.02 H new ATOM 0 HA ASN A 14 0.534 -13.673 18.975 1.00 0.02 H new ATOM 0 HB2 ASN A 14 0.341 -13.749 21.999 1.00 0.26 H new ATOM 0 HB3 ASN A 14 0.832 -15.024 20.902 1.00 0.26 H new ATOM 0 HD21 ASN A 14 3.608 -12.185 22.073 1.00 0.46 H new ATOM 0 HD22 ASN A 14 1.891 -11.956 22.423 1.00 0.46 H new ATOM 222 N PHE A 15 -1.898 -12.251 19.371 1.00 0.02 N ATOM 223 CA PHE A 15 -3.394 -12.134 19.347 1.00 0.02 C ATOM 224 C PHE A 15 -3.984 -12.237 20.752 1.00 0.00 C ATOM 225 O PHE A 15 -4.970 -12.910 20.984 1.00 0.02 O ATOM 226 CB PHE A 15 -4.017 -13.197 18.421 1.00 0.02 C ATOM 227 CG PHE A 15 -3.390 -14.549 18.646 1.00 0.02 C ATOM 228 CD1 PHE A 15 -2.261 -14.928 17.911 1.00 0.02 C ATOM 229 CD2 PHE A 15 -3.936 -15.427 19.591 1.00 0.02 C ATOM 230 CE1 PHE A 15 -1.677 -16.184 18.119 1.00 0.02 C ATOM 231 CE2 PHE A 15 -3.352 -16.683 19.799 1.00 0.02 C ATOM 232 CZ PHE A 15 -2.224 -17.060 19.063 1.00 0.02 C ATOM 0 H PHE A 15 -1.417 -11.515 18.853 1.00 0.02 H new ATOM 0 HA PHE A 15 -3.638 -11.148 18.951 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -5.090 -13.256 18.601 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -3.884 -12.900 17.381 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -1.840 -14.251 17.183 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -4.807 -15.136 20.159 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -0.806 -16.476 17.552 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -3.773 -17.360 20.528 1.00 0.02 H new ATOM 0 HZ PHE A 15 -1.774 -18.029 19.224 1.00 0.02 H new ATOM 242 N GLN A 16 -3.393 -11.536 21.681 1.00 0.02 N ATOM 243 CA GLN A 16 -3.898 -11.527 23.089 1.00 0.02 C ATOM 244 C GLN A 16 -4.427 -10.122 23.397 1.00 0.02 C ATOM 245 O GLN A 16 -4.173 -9.184 22.666 1.00 0.02 O ATOM 246 CB GLN A 16 -2.747 -11.854 24.043 1.00 0.02 C ATOM 247 CG GLN A 16 -2.470 -13.358 24.016 1.00 0.00 C ATOM 248 CD GLN A 16 -3.619 -14.104 24.699 1.00 0.00 C ATOM 249 OE1 GLN A 16 -4.079 -15.115 24.206 1.00 0.02 O ATOM 250 NE2 GLN A 16 -4.108 -13.643 25.818 1.00 0.02 N ATOM 0 H GLN A 16 -2.567 -10.958 21.523 1.00 0.02 H new ATOM 0 HA GLN A 16 -4.689 -12.267 23.213 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -1.852 -11.304 23.752 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -3.000 -11.539 25.055 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -2.362 -13.700 22.987 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.530 -13.574 24.524 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.722 -12.794 26.232 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -4.876 -14.131 26.278 1.00 0.02 H new ATOM 259 N GLY A 17 -5.156 -9.956 24.470 1.00 0.03 N ATOM 260 CA GLY A 17 -5.679 -8.598 24.810 1.00 0.03 C ATOM 261 C GLY A 17 -7.031 -8.350 24.132 1.00 0.02 C ATOM 262 O GLY A 17 -7.652 -9.253 23.605 1.00 0.02 O ATOM 0 H GLY A 17 -5.411 -10.697 25.123 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -5.787 -8.505 25.891 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -4.964 -7.838 24.494 1.00 0.03 H new ATOM 266 N ARG A 18 -7.481 -7.124 24.138 1.00 0.00 N ATOM 267 CA ARG A 18 -8.783 -6.787 23.491 1.00 0.02 C ATOM 268 C ARG A 18 -8.643 -6.930 21.975 1.00 0.02 C ATOM 269 O ARG A 18 -7.611 -6.630 21.405 1.00 0.02 O ATOM 270 CB ARG A 18 -9.160 -5.343 23.836 1.00 0.79 C ATOM 271 CG ARG A 18 -10.532 -5.017 23.241 1.00 1.49 C ATOM 272 CD ARG A 18 -11.011 -3.664 23.773 1.00 1.42 C ATOM 273 NE ARG A 18 -9.914 -2.664 23.656 1.00 2.07 N ATOM 274 CZ ARG A 18 -10.180 -1.390 23.756 1.00 2.35 C ATOM 275 NH1 ARG A 18 -11.408 -0.995 23.958 1.00 2.53 N ATOM 276 NH2 ARG A 18 -9.221 -0.511 23.656 1.00 2.76 N ATOM 0 H ARG A 18 -6.998 -6.334 24.567 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.560 -7.462 23.851 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -9.180 -5.210 24.918 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -8.410 -4.657 23.444 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -10.471 -4.991 22.153 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -11.248 -5.796 23.502 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -11.883 -3.329 23.211 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -11.320 -3.760 24.814 1.00 1.42 H new ATOM 0 HE ARG A 18 -8.955 -2.974 23.498 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -12.158 -1.682 24.037 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -11.617 0.000 24.036 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -8.261 -0.819 23.499 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -9.431 0.484 23.734 1.00 2.76 H new ATOM 290 N ARG A 19 -9.675 -7.411 21.323 1.00 0.02 N ATOM 291 CA ARG A 19 -9.624 -7.610 19.841 1.00 0.02 C ATOM 292 C ARG A 19 -10.721 -6.792 19.158 1.00 0.02 C ATOM 293 O ARG A 19 -11.791 -6.587 19.695 1.00 0.02 O ATOM 294 CB ARG A 19 -9.859 -9.094 19.539 1.00 0.85 C ATOM 295 CG ARG A 19 -9.586 -9.375 18.058 1.00 1.31 C ATOM 296 CD ARG A 19 -10.080 -10.782 17.704 1.00 1.34 C ATOM 297 NE ARG A 19 -9.898 -11.684 18.876 1.00 1.50 N ATOM 298 CZ ARG A 19 -10.512 -12.834 18.914 1.00 1.63 C ATOM 299 NH1 ARG A 19 -11.304 -13.185 17.935 1.00 1.72 N ATOM 300 NH2 ARG A 19 -10.339 -13.634 19.930 1.00 1.89 N ATOM 0 H ARG A 19 -10.558 -7.676 21.759 1.00 0.02 H new ATOM 0 HA ARG A 19 -8.652 -7.287 19.468 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -9.207 -9.708 20.161 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -10.885 -9.366 19.787 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -10.091 -8.634 17.438 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -8.519 -9.290 17.852 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -11.131 -10.748 17.418 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -9.528 -11.167 16.846 1.00 1.34 H new ATOM 0 HE ARG A 19 -9.294 -11.402 19.648 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -11.442 -12.559 17.141 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -11.784 -14.084 17.965 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -9.723 -13.360 20.696 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -10.820 -14.533 19.959 1.00 1.89 H new ATOM 314 N TYR A 20 -10.458 -6.348 17.957 1.00 0.02 N ATOM 315 CA TYR A 20 -11.465 -5.563 17.181 1.00 0.02 C ATOM 316 C TYR A 20 -11.546 -6.161 15.775 1.00 0.02 C ATOM 317 O TYR A 20 -10.548 -6.317 15.103 1.00 0.02 O ATOM 318 CB TYR A 20 -11.031 -4.095 17.098 1.00 0.02 C ATOM 319 CG TYR A 20 -11.920 -3.354 16.122 1.00 0.01 C ATOM 320 CD1 TYR A 20 -13.286 -3.206 16.396 1.00 0.02 C ATOM 321 CD2 TYR A 20 -11.381 -2.818 14.943 1.00 0.01 C ATOM 322 CE1 TYR A 20 -14.110 -2.523 15.493 1.00 0.02 C ATOM 323 CE2 TYR A 20 -12.208 -2.137 14.042 1.00 0.02 C ATOM 324 CZ TYR A 20 -13.572 -1.989 14.316 1.00 0.02 C ATOM 325 OH TYR A 20 -14.386 -1.317 13.426 1.00 0.01 O ATOM 0 H TYR A 20 -9.573 -6.499 17.473 1.00 0.02 H new ATOM 0 HA TYR A 20 -12.438 -5.608 17.669 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -11.091 -3.632 18.083 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -9.991 -4.031 16.778 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -13.703 -3.618 17.303 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -10.328 -2.931 14.730 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -15.163 -2.408 15.705 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -11.793 -1.725 13.134 1.00 0.02 H new ATOM 0 HH TYR A 20 -14.230 -1.656 12.520 1.00 0.01 H new ATOM 335 N ASP A 21 -12.729 -6.506 15.332 1.00 0.01 N ATOM 336 CA ASP A 21 -12.901 -7.115 13.973 1.00 0.02 C ATOM 337 C ASP A 21 -13.651 -6.143 13.066 1.00 0.00 C ATOM 338 O ASP A 21 -14.615 -5.521 13.466 1.00 0.01 O ATOM 339 CB ASP A 21 -13.711 -8.405 14.112 1.00 0.12 C ATOM 340 CG ASP A 21 -13.008 -9.345 15.093 1.00 0.41 C ATOM 341 OD1 ASP A 21 -11.866 -9.073 15.430 1.00 1.12 O ATOM 342 OD2 ASP A 21 -13.622 -10.321 15.492 1.00 0.56 O ATOM 0 H ASP A 21 -13.595 -6.391 15.859 1.00 0.01 H new ATOM 0 HA ASP A 21 -11.925 -7.330 13.539 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -14.717 -8.179 14.466 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -13.816 -8.888 13.140 1.00 0.12 H new ATOM 347 N CYS A 22 -13.200 -6.007 11.842 1.00 0.01 N ATOM 348 CA CYS A 22 -13.865 -5.071 10.882 1.00 0.00 C ATOM 349 C CYS A 22 -14.127 -5.795 9.558 1.00 0.02 C ATOM 350 O CYS A 22 -13.300 -6.543 9.068 1.00 0.01 O ATOM 351 CB CYS A 22 -12.949 -3.865 10.654 1.00 0.00 C ATOM 352 SG CYS A 22 -13.899 -2.518 9.906 1.00 0.02 S ATOM 0 H CYS A 22 -12.395 -6.507 11.465 1.00 0.01 H new ATOM 0 HA CYS A 22 -14.818 -4.731 11.289 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -12.518 -3.538 11.600 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -12.119 -4.143 10.005 1.00 0.00 H new ATOM 0 HG CYS A 22 -13.563 -2.392 8.656 1.00 0.02 H new ATOM 358 N ASP A 23 -15.286 -5.576 8.983 1.00 0.01 N ATOM 359 CA ASP A 23 -15.648 -6.240 7.690 1.00 0.02 C ATOM 360 C ASP A 23 -15.846 -5.176 6.611 1.00 0.00 C ATOM 361 O ASP A 23 -16.307 -5.457 5.522 1.00 0.02 O ATOM 362 CB ASP A 23 -16.946 -7.030 7.870 1.00 0.16 C ATOM 363 CG ASP A 23 -16.723 -8.153 8.884 1.00 0.17 C ATOM 364 OD1 ASP A 23 -16.506 -7.841 10.044 1.00 0.20 O ATOM 365 OD2 ASP A 23 -16.774 -9.304 8.485 1.00 0.17 O ATOM 0 H ASP A 23 -16.005 -4.958 9.359 1.00 0.01 H new ATOM 0 HA ASP A 23 -14.848 -6.917 7.391 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -17.742 -6.369 8.213 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -17.266 -7.446 6.915 1.00 0.16 H new ATOM 370 N CYS A 24 -15.485 -3.957 6.901 1.00 0.01 N ATOM 371 CA CYS A 24 -15.632 -2.868 5.896 1.00 0.01 C ATOM 372 C CYS A 24 -14.675 -1.740 6.278 1.00 0.01 C ATOM 373 O CYS A 24 -14.031 -1.795 7.307 1.00 0.01 O ATOM 374 CB CYS A 24 -17.071 -2.352 5.897 1.00 0.62 C ATOM 375 SG CYS A 24 -18.134 -3.526 5.020 1.00 1.23 S ATOM 0 H CYS A 24 -15.092 -3.667 7.797 1.00 0.01 H new ATOM 0 HA CYS A 24 -15.399 -3.239 4.898 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -17.421 -2.223 6.921 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -17.118 -1.374 5.418 1.00 0.62 H new ATOM 0 HG CYS A 24 -17.522 -4.668 4.911 1.00 1.23 H new ATOM 381 N ASP A 25 -14.555 -0.722 5.475 1.00 0.02 N ATOM 382 CA ASP A 25 -13.618 0.378 5.828 1.00 0.01 C ATOM 383 C ASP A 25 -14.046 1.047 7.134 1.00 0.02 C ATOM 384 O ASP A 25 -15.219 1.205 7.408 1.00 0.00 O ATOM 385 CB ASP A 25 -13.620 1.422 4.710 1.00 0.01 C ATOM 386 CG ASP A 25 -15.027 1.999 4.555 1.00 0.01 C ATOM 387 OD1 ASP A 25 -15.975 1.255 4.744 1.00 0.01 O ATOM 388 OD2 ASP A 25 -15.133 3.176 4.251 1.00 0.01 O ATOM 0 H ASP A 25 -15.060 -0.604 4.597 1.00 0.02 H new ATOM 0 HA ASP A 25 -12.619 -0.039 5.953 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -12.912 2.218 4.940 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -13.296 0.968 3.773 1.00 0.01 H new ATOM 393 N CYS A 26 -13.093 1.463 7.930 1.00 0.01 N ATOM 394 CA CYS A 26 -13.411 2.156 9.219 1.00 0.01 C ATOM 395 C CYS A 26 -12.562 3.424 9.305 1.00 0.01 C ATOM 396 O CYS A 26 -11.347 3.372 9.307 1.00 0.01 O ATOM 397 CB CYS A 26 -13.096 1.237 10.402 1.00 0.01 C ATOM 398 SG CYS A 26 -13.849 1.910 11.903 1.00 0.02 S ATOM 0 H CYS A 26 -12.097 1.351 7.741 1.00 0.01 H new ATOM 0 HA CYS A 26 -14.470 2.410 9.253 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.477 0.234 10.209 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -12.017 1.149 10.531 1.00 0.01 H new ATOM 0 HG CYS A 26 -14.193 0.935 12.691 1.00 0.02 H new ATOM 404 N ALA A 27 -13.189 4.570 9.340 1.00 0.01 N ATOM 405 CA ALA A 27 -12.411 5.838 9.384 1.00 0.01 C ATOM 406 C ALA A 27 -11.861 6.082 10.789 1.00 0.01 C ATOM 407 O ALA A 27 -10.861 6.750 10.965 1.00 0.02 O ATOM 408 CB ALA A 27 -13.311 7.007 8.978 1.00 0.24 C ATOM 0 H ALA A 27 -14.203 4.681 9.340 1.00 0.01 H new ATOM 0 HA ALA A 27 -11.575 5.758 8.689 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -12.740 7.935 9.011 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -13.683 6.846 7.966 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -14.153 7.075 9.667 1.00 0.24 H new ATOM 414 N ASP A 28 -12.502 5.551 11.794 1.00 0.01 N ATOM 415 CA ASP A 28 -12.015 5.752 13.189 1.00 0.02 C ATOM 416 C ASP A 28 -12.491 4.579 14.048 1.00 0.01 C ATOM 417 O ASP A 28 -13.628 4.527 14.474 1.00 0.02 O ATOM 418 CB ASP A 28 -12.578 7.061 13.744 1.00 0.67 C ATOM 419 CG ASP A 28 -14.107 7.003 13.734 1.00 0.90 C ATOM 420 OD1 ASP A 28 -14.646 6.261 12.929 1.00 0.87 O ATOM 421 OD2 ASP A 28 -14.712 7.701 14.531 1.00 1.14 O ATOM 0 H ASP A 28 -13.346 4.984 11.709 1.00 0.01 H new ATOM 0 HA ASP A 28 -10.926 5.801 13.201 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -12.216 7.224 14.759 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -12.231 7.902 13.144 1.00 0.67 H new ATOM 426 N PHE A 29 -11.619 3.640 14.304 1.00 0.02 N ATOM 427 CA PHE A 29 -11.981 2.450 15.138 1.00 0.02 C ATOM 428 C PHE A 29 -11.371 2.600 16.537 1.00 0.00 C ATOM 429 O PHE A 29 -11.354 1.685 17.339 1.00 0.02 O ATOM 430 CB PHE A 29 -11.477 1.171 14.456 1.00 2.87 C ATOM 431 CG PHE A 29 -9.978 1.053 14.596 1.00 3.99 C ATOM 432 CD1 PHE A 29 -9.138 1.876 13.838 1.00 4.52 C ATOM 433 CD2 PHE A 29 -9.429 0.113 15.478 1.00 4.68 C ATOM 434 CE1 PHE A 29 -7.751 1.761 13.964 1.00 5.75 C ATOM 435 CE2 PHE A 29 -8.043 -0.001 15.601 1.00 5.85 C ATOM 436 CZ PHE A 29 -7.205 0.821 14.846 1.00 6.37 C ATOM 0 H PHE A 29 -10.656 3.645 13.967 1.00 0.02 H new ATOM 0 HA PHE A 29 -13.064 2.384 15.238 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -11.959 0.300 14.900 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -11.750 1.183 13.401 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -9.561 2.599 13.156 1.00 4.52 H new ATOM 0 HD2 PHE A 29 -10.078 -0.523 16.062 1.00 4.68 H new ATOM 0 HE1 PHE A 29 -7.101 2.397 13.381 1.00 5.75 H new ATOM 0 HE2 PHE A 29 -7.619 -0.725 16.281 1.00 5.85 H new ATOM 0 HZ PHE A 29 -6.133 0.732 14.942 1.00 6.37 H new ATOM 446 N ARG A 30 -10.838 3.758 16.814 1.00 0.01 N ATOM 447 CA ARG A 30 -10.194 4.003 18.134 1.00 0.00 C ATOM 448 C ARG A 30 -11.196 3.795 19.276 1.00 0.01 C ATOM 449 O ARG A 30 -10.812 3.552 20.403 1.00 0.02 O ATOM 450 CB ARG A 30 -9.655 5.441 18.184 1.00 0.32 C ATOM 451 CG ARG A 30 -8.361 5.546 17.350 1.00 0.86 C ATOM 452 CD ARG A 30 -7.140 5.145 18.197 1.00 1.62 C ATOM 453 NE ARG A 30 -6.066 4.641 17.293 1.00 2.25 N ATOM 454 CZ ARG A 30 -4.847 4.508 17.740 1.00 2.70 C ATOM 455 NH1 ARG A 30 -4.570 4.811 18.977 1.00 3.11 N ATOM 456 NH2 ARG A 30 -3.906 4.068 16.949 1.00 3.02 N ATOM 0 H ARG A 30 -10.821 4.553 16.175 1.00 0.01 H new ATOM 0 HA ARG A 30 -9.375 3.294 18.256 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.404 6.133 17.798 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -9.457 5.729 19.217 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -8.432 4.900 16.475 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -8.239 6.566 16.985 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -6.780 6.001 18.768 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -7.418 4.375 18.917 1.00 1.62 H new ATOM 0 HE ARG A 30 -6.284 4.400 16.326 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -5.306 5.152 19.596 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -3.617 4.707 19.326 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -4.124 3.828 15.982 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -2.953 3.964 17.298 1.00 3.02 H new ATOM 470 N SER A 31 -12.473 3.901 19.014 1.00 0.02 N ATOM 471 CA SER A 31 -13.474 3.724 20.107 1.00 0.02 C ATOM 472 C SER A 31 -13.608 2.243 20.468 1.00 0.01 C ATOM 473 O SER A 31 -14.136 1.892 21.505 1.00 0.02 O ATOM 474 CB SER A 31 -14.830 4.254 19.639 1.00 0.37 C ATOM 475 OG SER A 31 -15.776 4.112 20.690 1.00 0.88 O ATOM 0 H SER A 31 -12.865 4.102 18.094 1.00 0.02 H new ATOM 0 HA SER A 31 -13.141 4.275 20.987 1.00 0.02 H new ATOM 0 HB2 SER A 31 -14.744 5.301 19.350 1.00 0.37 H new ATOM 0 HB3 SER A 31 -15.163 3.706 18.757 1.00 0.37 H new ATOM 0 HG SER A 31 -16.646 4.452 20.395 1.00 0.88 H new ATOM 481 N TYR A 32 -13.148 1.370 19.610 1.00 0.01 N ATOM 482 CA TYR A 32 -13.258 -0.098 19.880 1.00 0.01 C ATOM 483 C TYR A 32 -11.896 -0.638 20.307 1.00 0.02 C ATOM 484 O TYR A 32 -11.795 -1.673 20.933 1.00 0.02 O ATOM 485 CB TYR A 32 -13.703 -0.804 18.600 1.00 0.02 C ATOM 486 CG TYR A 32 -14.904 -0.086 18.023 1.00 0.02 C ATOM 487 CD1 TYR A 32 -16.086 0.008 18.769 1.00 0.01 C ATOM 488 CD2 TYR A 32 -14.837 0.487 16.745 1.00 0.01 C ATOM 489 CE1 TYR A 32 -17.198 0.672 18.240 1.00 0.00 C ATOM 490 CE2 TYR A 32 -15.952 1.151 16.217 1.00 0.02 C ATOM 491 CZ TYR A 32 -17.131 1.243 16.964 1.00 0.02 C ATOM 492 OH TYR A 32 -18.229 1.898 16.443 1.00 0.02 O ATOM 0 H TYR A 32 -12.697 1.611 18.727 1.00 0.01 H new ATOM 0 HA TYR A 32 -13.984 -0.275 20.674 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -12.889 -0.815 17.875 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -13.954 -1.843 18.813 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -16.139 -0.433 19.754 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -13.927 0.417 16.168 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -18.108 0.744 18.816 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -15.901 1.592 15.233 1.00 0.02 H new ATOM 0 HH TYR A 32 -18.014 2.237 15.549 1.00 0.02 H new ATOM 502 N LEU A 33 -10.842 0.052 19.962 1.00 0.02 N ATOM 503 CA LEU A 33 -9.474 -0.422 20.334 1.00 0.02 C ATOM 504 C LEU A 33 -8.555 0.795 20.515 1.00 0.02 C ATOM 505 O LEU A 33 -8.482 1.670 19.676 1.00 0.02 O ATOM 506 CB LEU A 33 -8.938 -1.305 19.194 1.00 1.66 C ATOM 507 CG LEU A 33 -7.916 -2.315 19.746 1.00 2.38 C ATOM 508 CD1 LEU A 33 -8.610 -3.353 20.661 1.00 3.32 C ATOM 509 CD2 LEU A 33 -7.226 -3.028 18.576 1.00 2.80 C ATOM 0 H LEU A 33 -10.868 0.926 19.437 1.00 0.02 H new ATOM 0 HA LEU A 33 -9.508 -0.992 21.262 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -9.762 -1.834 18.715 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -8.471 -0.683 18.430 1.00 1.66 H new ATOM 0 HG LEU A 33 -7.175 -1.779 20.339 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -7.869 -4.057 21.040 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -9.085 -2.841 21.498 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -9.365 -3.893 20.091 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -6.501 -3.744 18.963 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -7.972 -3.553 17.979 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -6.714 -2.294 17.954 1.00 2.80 H new ATOM 521 N SER A 34 -7.874 0.855 21.631 1.00 0.02 N ATOM 522 CA SER A 34 -6.975 2.014 21.916 1.00 0.02 C ATOM 523 C SER A 34 -5.582 1.805 21.309 1.00 0.00 C ATOM 524 O SER A 34 -4.780 2.714 21.268 1.00 0.01 O ATOM 525 CB SER A 34 -6.842 2.174 23.429 1.00 0.02 C ATOM 526 OG SER A 34 -6.273 0.994 23.978 1.00 0.02 O ATOM 0 H SER A 34 -7.903 0.145 22.363 1.00 0.02 H new ATOM 0 HA SER A 34 -7.411 2.907 21.469 1.00 0.02 H new ATOM 0 HB2 SER A 34 -6.216 3.035 23.661 1.00 0.02 H new ATOM 0 HB3 SER A 34 -7.819 2.361 23.874 1.00 0.02 H new ATOM 0 HG SER A 34 -6.227 0.301 23.287 1.00 0.02 H new ATOM 532 N ARG A 35 -5.285 0.625 20.840 1.00 0.02 N ATOM 533 CA ARG A 35 -3.944 0.359 20.234 1.00 0.01 C ATOM 534 C ARG A 35 -4.000 -1.038 19.599 1.00 0.02 C ATOM 535 O ARG A 35 -4.871 -1.826 19.901 1.00 0.02 O ATOM 536 CB ARG A 35 -2.854 0.409 21.339 1.00 0.02 C ATOM 537 CG ARG A 35 -1.896 1.587 21.107 1.00 0.02 C ATOM 538 CD ARG A 35 -0.958 1.723 22.308 1.00 0.02 C ATOM 539 NE ARG A 35 -0.033 0.554 22.351 1.00 0.02 N ATOM 540 CZ ARG A 35 1.037 0.598 23.095 1.00 0.02 C ATOM 541 NH1 ARG A 35 1.299 1.663 23.801 1.00 0.00 N ATOM 542 NH2 ARG A 35 1.849 -0.426 23.133 1.00 0.02 N ATOM 0 H ARG A 35 -5.917 -0.175 20.849 1.00 0.02 H new ATOM 0 HA ARG A 35 -3.696 1.108 19.481 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -3.325 0.505 22.317 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -2.293 -0.526 21.346 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -1.318 1.426 20.197 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -2.462 2.508 20.967 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -0.388 2.649 22.235 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -1.536 1.777 23.230 1.00 0.02 H new ATOM 0 HE ARG A 35 -0.237 -0.279 21.799 1.00 0.02 H new ATOM 0 HH11 ARG A 35 0.667 2.463 23.772 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.136 1.696 24.383 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.645 -1.259 22.581 1.00 0.02 H new ATOM 0 HH22 ARG A 35 2.686 -0.392 23.715 1.00 0.02 H new ATOM 556 N CYS A 36 -3.074 -1.363 18.734 1.00 0.02 N ATOM 557 CA CYS A 36 -3.074 -2.718 18.100 1.00 0.02 C ATOM 558 C CYS A 36 -1.628 -3.195 17.957 1.00 0.02 C ATOM 559 O CYS A 36 -0.863 -2.603 17.220 1.00 0.02 O ATOM 560 CB CYS A 36 -3.707 -2.625 16.715 1.00 0.02 C ATOM 561 SG CYS A 36 -2.879 -1.317 15.780 1.00 0.02 S ATOM 0 H CYS A 36 -2.316 -0.748 18.438 1.00 0.02 H new ATOM 0 HA CYS A 36 -3.640 -3.417 18.716 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -3.615 -3.578 16.193 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -4.772 -2.411 16.801 1.00 0.02 H new ATOM 0 HG CYS A 36 -1.608 -1.327 16.053 1.00 0.02 H new ATOM 567 N ASN A 37 -1.226 -4.234 18.655 1.00 0.02 N ATOM 568 CA ASN A 37 0.197 -4.700 18.547 1.00 0.01 C ATOM 569 C ASN A 37 0.280 -5.982 17.719 1.00 0.02 C ATOM 570 O ASN A 37 1.347 -6.501 17.457 1.00 0.02 O ATOM 571 CB ASN A 37 0.766 -4.969 19.940 1.00 0.02 C ATOM 572 CG ASN A 37 0.471 -3.775 20.848 1.00 0.01 C ATOM 573 OD1 ASN A 37 -0.255 -2.876 20.473 1.00 0.03 O ATOM 574 ND2 ASN A 37 1.006 -3.727 22.039 1.00 0.02 N ATOM 0 H ASN A 37 -1.815 -4.775 19.289 1.00 0.02 H new ATOM 0 HA ASN A 37 0.776 -3.918 18.057 1.00 0.01 H new ATOM 0 HB2 ASN A 37 0.325 -5.874 20.357 1.00 0.02 H new ATOM 0 HB3 ASN A 37 1.841 -5.137 19.880 1.00 0.02 H new ATOM 0 HD21 ASN A 37 0.814 -2.935 22.653 1.00 0.02 H new ATOM 0 HD22 ASN A 37 1.616 -4.481 22.355 1.00 0.02 H new ATOM 581 N SER A 38 -0.845 -6.468 17.268 1.00 0.02 N ATOM 582 CA SER A 38 -0.859 -7.688 16.413 1.00 0.02 C ATOM 583 C SER A 38 -2.111 -7.629 15.539 1.00 0.01 C ATOM 584 O SER A 38 -3.085 -6.987 15.879 1.00 0.02 O ATOM 585 CB SER A 38 -0.866 -8.956 17.276 1.00 0.01 C ATOM 586 OG SER A 38 0.472 -9.317 17.577 1.00 0.02 O ATOM 0 H SER A 38 -1.764 -6.067 17.458 1.00 0.02 H new ATOM 0 HA SER A 38 0.036 -7.722 15.792 1.00 0.02 H new ATOM 0 HB2 SER A 38 -1.425 -8.783 18.195 1.00 0.01 H new ATOM 0 HB3 SER A 38 -1.365 -9.768 16.748 1.00 0.01 H new ATOM 0 HG SER A 38 0.515 -10.275 17.779 1.00 0.02 H new ATOM 592 N ILE A 39 -2.090 -8.270 14.398 1.00 0.02 N ATOM 593 CA ILE A 39 -3.278 -8.217 13.495 1.00 0.02 C ATOM 594 C ILE A 39 -3.431 -9.539 12.750 1.00 0.02 C ATOM 595 O ILE A 39 -2.469 -10.186 12.386 1.00 0.02 O ATOM 596 CB ILE A 39 -3.077 -7.096 12.466 1.00 0.00 C ATOM 597 CG1 ILE A 39 -2.570 -5.836 13.174 1.00 0.01 C ATOM 598 CG2 ILE A 39 -4.409 -6.794 11.773 1.00 0.01 C ATOM 599 CD1 ILE A 39 -2.482 -4.684 12.175 1.00 0.00 C ATOM 0 H ILE A 39 -1.306 -8.825 14.055 1.00 0.02 H new ATOM 0 HA ILE A 39 -4.170 -8.031 14.093 1.00 0.02 H new ATOM 0 HB ILE A 39 -2.345 -7.412 11.723 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.241 -5.571 13.991 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -1.591 -6.024 13.614 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -4.267 -5.998 11.042 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -4.768 -7.691 11.268 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -5.142 -6.478 12.515 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -2.121 -3.789 12.682 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.793 -4.950 11.373 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.469 -4.490 11.756 1.00 0.00 H new ATOM 611 N ARG A 40 -4.656 -9.915 12.487 1.00 0.02 N ATOM 612 CA ARG A 40 -4.936 -11.164 11.719 1.00 0.02 C ATOM 613 C ARG A 40 -5.818 -10.792 10.529 1.00 0.01 C ATOM 614 O ARG A 40 -6.890 -10.247 10.702 1.00 0.02 O ATOM 615 CB ARG A 40 -5.668 -12.195 12.580 1.00 0.01 C ATOM 616 CG ARG A 40 -5.740 -13.527 11.831 1.00 0.02 C ATOM 617 CD ARG A 40 -6.276 -14.608 12.770 1.00 0.02 C ATOM 618 NE ARG A 40 -5.366 -14.740 13.943 1.00 0.02 N ATOM 619 CZ ARG A 40 -5.761 -15.387 15.005 1.00 0.02 C ATOM 620 NH1 ARG A 40 -6.953 -15.918 15.040 1.00 0.02 N ATOM 621 NH2 ARG A 40 -4.965 -15.502 16.032 1.00 0.02 N ATOM 0 H ARG A 40 -5.487 -9.400 12.777 1.00 0.02 H new ATOM 0 HA ARG A 40 -3.993 -11.605 11.395 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -5.148 -12.327 13.529 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -6.673 -11.842 12.813 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -6.388 -13.432 10.960 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -4.752 -13.805 11.465 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -7.281 -14.350 13.103 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -6.349 -15.559 12.243 1.00 0.02 H new ATOM 0 HE ARG A 40 -4.435 -14.325 13.916 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -7.576 -15.827 14.237 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -7.262 -16.424 15.870 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -4.034 -15.086 16.005 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -5.274 -16.008 16.862 1.00 0.02 H new ATOM 635 N VAL A 41 -5.417 -11.129 9.332 1.00 0.02 N ATOM 636 CA VAL A 41 -6.280 -10.848 8.148 1.00 0.01 C ATOM 637 C VAL A 41 -6.874 -12.183 7.719 1.00 0.02 C ATOM 638 O VAL A 41 -6.165 -13.079 7.314 1.00 0.02 O ATOM 639 CB VAL A 41 -5.456 -10.227 7.023 1.00 0.01 C ATOM 640 CG1 VAL A 41 -6.396 -9.772 5.902 1.00 0.02 C ATOM 641 CG2 VAL A 41 -4.709 -9.007 7.571 1.00 0.00 C ATOM 0 H VAL A 41 -4.530 -11.586 9.123 1.00 0.02 H new ATOM 0 HA VAL A 41 -7.068 -10.136 8.392 1.00 0.01 H new ATOM 0 HB VAL A 41 -4.747 -10.959 6.636 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -5.812 -9.328 5.096 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -6.948 -10.630 5.520 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -7.097 -9.034 6.292 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -4.117 -8.555 6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.428 -8.279 7.946 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.050 -9.318 8.382 1.00 0.00 H new ATOM 651 N GLU A 42 -8.167 -12.331 7.844 1.00 0.01 N ATOM 652 CA GLU A 42 -8.809 -13.627 7.484 1.00 0.01 C ATOM 653 C GLU A 42 -9.069 -13.676 5.988 1.00 0.02 C ATOM 654 O GLU A 42 -8.999 -14.723 5.378 1.00 0.01 O ATOM 655 CB GLU A 42 -10.129 -13.777 8.243 1.00 0.99 C ATOM 656 CG GLU A 42 -9.874 -13.627 9.746 1.00 1.86 C ATOM 657 CD GLU A 42 -9.627 -12.154 10.080 1.00 3.10 C ATOM 658 OE1 GLU A 42 -10.451 -11.335 9.710 1.00 3.67 O ATOM 659 OE2 GLU A 42 -8.616 -11.870 10.701 1.00 3.81 O ATOM 0 H GLU A 42 -8.805 -11.610 8.180 1.00 0.01 H new ATOM 0 HA GLU A 42 -8.142 -14.445 7.757 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -10.841 -13.024 7.907 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -10.572 -14.751 8.034 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -10.730 -14.000 10.309 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -9.013 -14.227 10.041 1.00 1.86 H new ATOM 666 N GLY A 43 -9.376 -12.568 5.377 1.00 0.01 N ATOM 667 CA GLY A 43 -9.640 -12.615 3.913 1.00 0.02 C ATOM 668 C GLY A 43 -9.562 -11.221 3.310 1.00 0.02 C ATOM 669 O GLY A 43 -9.851 -10.238 3.964 1.00 0.02 O ATOM 0 H GLY A 43 -9.455 -11.650 5.815 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -8.914 -13.268 3.428 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -10.626 -13.042 3.729 1.00 0.02 H new ATOM 673 N GLY A 44 -9.190 -11.129 2.063 1.00 0.00 N ATOM 674 CA GLY A 44 -9.113 -9.794 1.415 1.00 0.01 C ATOM 675 C GLY A 44 -7.784 -9.118 1.748 1.00 0.01 C ATOM 676 O GLY A 44 -7.008 -9.597 2.551 1.00 0.01 O ATOM 0 H GLY A 44 -8.937 -11.918 1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.214 -9.900 0.335 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -9.941 -9.170 1.753 1.00 0.01 H new ATOM 680 N THR A 45 -7.549 -7.983 1.153 1.00 0.01 N ATOM 681 CA THR A 45 -6.306 -7.200 1.427 1.00 0.00 C ATOM 682 C THR A 45 -6.734 -5.950 2.203 1.00 0.01 C ATOM 683 O THR A 45 -7.896 -5.592 2.194 1.00 0.01 O ATOM 684 CB THR A 45 -5.616 -6.835 0.108 1.00 0.73 C ATOM 685 OG1 THR A 45 -5.093 -8.016 -0.486 1.00 0.88 O ATOM 686 CG2 THR A 45 -4.471 -5.857 0.380 1.00 1.48 C ATOM 0 H THR A 45 -8.178 -7.554 0.474 1.00 0.01 H new ATOM 0 HA THR A 45 -5.588 -7.776 2.011 1.00 0.00 H new ATOM 0 HB THR A 45 -6.337 -6.370 -0.564 1.00 0.73 H new ATOM 0 HG1 THR A 45 -4.652 -7.789 -1.331 1.00 0.88 H new ATOM 0 HG21 THR A 45 -3.982 -5.599 -0.559 1.00 1.48 H new ATOM 0 HG22 THR A 45 -4.867 -4.953 0.843 1.00 1.48 H new ATOM 0 HG23 THR A 45 -3.747 -6.321 1.050 1.00 1.48 H new ATOM 694 N TRP A 46 -5.840 -5.270 2.876 1.00 0.02 N ATOM 695 CA TRP A 46 -6.276 -4.053 3.636 1.00 0.01 C ATOM 696 C TRP A 46 -5.171 -2.997 3.697 1.00 0.01 C ATOM 697 O TRP A 46 -3.997 -3.297 3.793 1.00 0.01 O ATOM 698 CB TRP A 46 -6.643 -4.461 5.064 1.00 0.00 C ATOM 699 CG TRP A 46 -7.887 -5.290 5.050 1.00 0.01 C ATOM 700 CD1 TRP A 46 -7.942 -6.606 4.739 1.00 0.01 C ATOM 701 CD2 TRP A 46 -9.253 -4.884 5.356 1.00 0.01 C ATOM 702 NE1 TRP A 46 -9.255 -7.032 4.835 1.00 0.00 N ATOM 703 CE2 TRP A 46 -10.100 -6.007 5.211 1.00 0.01 C ATOM 704 CE3 TRP A 46 -9.834 -3.661 5.742 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -11.473 -5.923 5.440 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -11.217 -3.573 5.973 1.00 0.02 C ATOM 707 CH2 TRP A 46 -12.034 -4.701 5.823 1.00 0.01 C ATOM 0 H TRP A 46 -4.847 -5.496 2.934 1.00 0.02 H new ATOM 0 HA TRP A 46 -7.134 -3.623 3.119 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -5.825 -5.024 5.513 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.793 -3.573 5.678 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.100 -7.222 4.462 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -9.561 -7.987 4.650 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.213 -2.785 5.861 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -12.098 -6.796 5.322 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -11.653 -2.630 6.268 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -13.096 -4.627 6.003 1.00 0.01 H new ATOM 718 N ALA A 47 -5.565 -1.747 3.716 1.00 0.01 N ATOM 719 CA ALA A 47 -4.592 -0.624 3.857 1.00 0.01 C ATOM 720 C ALA A 47 -4.831 -0.061 5.254 1.00 0.01 C ATOM 721 O ALA A 47 -5.953 0.214 5.634 1.00 0.01 O ATOM 722 CB ALA A 47 -4.856 0.446 2.792 1.00 0.24 C ATOM 0 H ALA A 47 -6.539 -1.455 3.638 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.562 -0.955 3.724 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -4.139 1.259 2.907 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -4.750 0.006 1.800 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -5.867 0.835 2.910 1.00 0.24 H new ATOM 728 N VAL A 48 -3.781 0.126 6.016 1.00 0.01 N ATOM 729 CA VAL A 48 -3.929 0.689 7.395 1.00 0.02 C ATOM 730 C VAL A 48 -3.130 1.985 7.502 1.00 0.01 C ATOM 731 O VAL A 48 -2.078 2.117 6.910 1.00 0.01 O ATOM 732 CB VAL A 48 -3.415 -0.315 8.427 1.00 0.09 C ATOM 733 CG1 VAL A 48 -4.337 -1.534 8.457 1.00 0.48 C ATOM 734 CG2 VAL A 48 -1.999 -0.757 8.046 1.00 0.65 C ATOM 0 H VAL A 48 -2.823 -0.088 5.741 1.00 0.01 H new ATOM 0 HA VAL A 48 -4.983 0.891 7.589 1.00 0.02 H new ATOM 0 HB VAL A 48 -3.399 0.152 9.412 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -3.970 -2.250 9.193 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -5.346 -1.221 8.727 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -4.354 -2.002 7.473 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -1.631 -1.473 8.781 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -2.016 -1.224 7.061 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -1.340 0.111 8.024 1.00 0.65 H new ATOM 744 N TYR A 49 -3.628 2.946 8.244 1.00 0.01 N ATOM 745 CA TYR A 49 -2.901 4.250 8.389 1.00 0.01 C ATOM 746 C TYR A 49 -2.588 4.514 9.860 1.00 0.01 C ATOM 747 O TYR A 49 -3.313 4.131 10.759 1.00 0.02 O ATOM 748 CB TYR A 49 -3.768 5.378 7.831 1.00 0.01 C ATOM 749 CG TYR A 49 -3.790 5.294 6.322 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.449 4.230 5.693 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.155 6.276 5.550 1.00 0.01 C ATOM 752 CE1 TYR A 49 -4.473 4.149 4.296 1.00 0.01 C ATOM 753 CE2 TYR A 49 -3.181 6.195 4.153 1.00 0.01 C ATOM 754 CZ TYR A 49 -3.840 5.131 3.525 1.00 0.02 C ATOM 755 OH TYR A 49 -3.865 5.050 2.148 1.00 0.01 O ATOM 0 H TYR A 49 -4.508 2.884 8.757 1.00 0.01 H new ATOM 0 HA TYR A 49 -1.964 4.204 7.834 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -4.781 5.302 8.225 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -3.375 6.344 8.147 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -4.939 3.472 6.286 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.645 7.096 6.033 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -4.981 3.328 3.812 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -2.693 6.953 3.559 1.00 0.01 H new ATOM 0 HH TYR A 49 -3.380 5.811 1.767 1.00 0.01 H new ATOM 765 N GLU A 50 -1.465 5.135 10.095 1.00 0.01 N ATOM 766 CA GLU A 50 -1.011 5.408 11.484 1.00 0.01 C ATOM 767 C GLU A 50 -1.962 6.383 12.189 1.00 0.01 C ATOM 768 O GLU A 50 -2.167 6.284 13.383 1.00 0.02 O ATOM 769 CB GLU A 50 0.404 6.018 11.414 1.00 0.02 C ATOM 770 CG GLU A 50 1.215 5.640 12.666 1.00 0.01 C ATOM 771 CD GLU A 50 1.833 4.248 12.486 1.00 0.02 C ATOM 772 OE1 GLU A 50 2.644 4.094 11.587 1.00 0.01 O ATOM 773 OE2 GLU A 50 1.482 3.363 13.246 1.00 0.02 O ATOM 0 H GLU A 50 -0.833 5.470 9.368 1.00 0.01 H new ATOM 0 HA GLU A 50 -1.002 4.479 12.054 1.00 0.01 H new ATOM 0 HB2 GLU A 50 0.916 5.662 10.520 1.00 0.02 H new ATOM 0 HB3 GLU A 50 0.335 7.103 11.331 1.00 0.02 H new ATOM 0 HG2 GLU A 50 2.000 6.377 12.838 1.00 0.01 H new ATOM 0 HG3 GLU A 50 0.570 5.650 13.545 1.00 0.01 H new ATOM 780 N ARG A 51 -2.534 7.330 11.474 1.00 0.02 N ATOM 781 CA ARG A 51 -3.454 8.324 12.127 1.00 0.02 C ATOM 782 C ARG A 51 -4.835 8.281 11.433 1.00 0.01 C ATOM 783 O ARG A 51 -4.948 7.849 10.298 1.00 0.02 O ATOM 784 CB ARG A 51 -2.835 9.736 11.961 1.00 0.02 C ATOM 785 CG ARG A 51 -2.046 10.142 13.218 1.00 0.01 C ATOM 786 CD ARG A 51 -0.797 9.266 13.363 1.00 0.02 C ATOM 787 NE ARG A 51 0.155 9.912 14.310 1.00 0.02 N ATOM 788 CZ ARG A 51 1.145 9.225 14.812 1.00 0.02 C ATOM 789 NH1 ARG A 51 1.304 7.971 14.483 1.00 0.02 N ATOM 790 NH2 ARG A 51 1.977 9.791 15.644 1.00 0.01 N ATOM 0 H ARG A 51 -2.404 7.457 10.470 1.00 0.02 H new ATOM 0 HA ARG A 51 -3.580 8.087 13.184 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -2.175 9.748 11.093 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -3.624 10.463 11.772 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -1.758 11.191 13.153 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -2.676 10.039 14.101 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -1.074 8.277 13.727 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -0.322 9.127 12.392 1.00 0.02 H new ATOM 0 HE ARG A 51 0.033 10.892 14.566 1.00 0.02 H new ATOM 0 HH11 ARG A 51 0.654 7.528 13.833 1.00 0.02 H new ATOM 0 HH12 ARG A 51 2.078 7.435 14.876 1.00 0.02 H new ATOM 0 HH21 ARG A 51 1.853 10.770 15.902 1.00 0.01 H new ATOM 0 HH22 ARG A 51 2.750 9.254 16.036 1.00 0.01 H new ATOM 804 N PRO A 52 -5.878 8.738 12.109 1.00 0.02 N ATOM 805 CA PRO A 52 -7.251 8.737 11.521 1.00 0.02 C ATOM 806 C PRO A 52 -7.312 9.459 10.171 1.00 0.01 C ATOM 807 O PRO A 52 -6.421 10.186 9.783 1.00 0.02 O ATOM 808 CB PRO A 52 -8.084 9.471 12.598 1.00 0.02 C ATOM 809 CG PRO A 52 -7.127 9.964 13.700 1.00 0.01 C ATOM 810 CD PRO A 52 -5.768 9.280 13.497 1.00 0.01 C ATOM 0 HA PRO A 52 -7.613 7.733 11.299 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -8.619 10.312 12.156 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -8.834 8.802 13.019 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -7.018 11.047 13.652 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -7.528 9.727 14.685 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -4.942 9.984 13.592 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -5.599 8.490 14.228 1.00 0.01 H new ATOM 818 N ASN A 53 -8.406 9.267 9.484 1.00 0.02 N ATOM 819 CA ASN A 53 -8.623 9.939 8.175 1.00 0.02 C ATOM 820 C ASN A 53 -7.597 9.476 7.141 1.00 0.01 C ATOM 821 O ASN A 53 -7.151 10.233 6.301 1.00 0.01 O ATOM 822 CB ASN A 53 -8.527 11.455 8.373 1.00 0.01 C ATOM 823 CG ASN A 53 -9.182 11.835 9.700 1.00 0.02 C ATOM 824 OD1 ASN A 53 -10.380 11.707 9.859 1.00 0.02 O ATOM 825 ND2 ASN A 53 -8.441 12.301 10.669 1.00 0.01 N ATOM 0 H ASN A 53 -9.171 8.661 9.782 1.00 0.02 H new ATOM 0 HA ASN A 53 -9.612 9.675 7.801 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -7.483 11.768 8.367 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -9.020 11.972 7.550 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -8.868 12.557 11.559 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -7.435 12.408 10.536 1.00 0.01 H new ATOM 832 N PHE A 54 -7.245 8.221 7.189 1.00 0.02 N ATOM 833 CA PHE A 54 -6.276 7.660 6.211 1.00 0.01 C ATOM 834 C PHE A 54 -5.086 8.604 6.031 1.00 0.01 C ATOM 835 O PHE A 54 -4.724 8.969 4.930 1.00 0.02 O ATOM 836 CB PHE A 54 -6.987 7.442 4.870 1.00 1.78 C ATOM 837 CG PHE A 54 -8.408 6.989 5.125 1.00 2.32 C ATOM 838 CD1 PHE A 54 -8.649 5.753 5.741 1.00 2.53 C ATOM 839 CD2 PHE A 54 -9.486 7.803 4.750 1.00 2.77 C ATOM 840 CE1 PHE A 54 -9.965 5.335 5.981 1.00 3.03 C ATOM 841 CE2 PHE A 54 -10.799 7.384 4.990 1.00 3.32 C ATOM 842 CZ PHE A 54 -11.039 6.150 5.605 1.00 3.39 C ATOM 0 H PHE A 54 -7.594 7.552 7.875 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.899 6.708 6.584 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -6.986 8.365 4.290 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -6.455 6.695 4.281 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -7.821 5.123 6.031 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -9.302 8.755 4.275 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -10.151 4.383 6.456 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -11.628 8.013 4.701 1.00 3.32 H new ATOM 0 HZ PHE A 54 -12.053 5.827 5.789 1.00 3.39 H new ATOM 852 N SER A 55 -4.482 8.999 7.127 1.00 0.02 N ATOM 853 CA SER A 55 -3.306 9.928 7.067 1.00 0.02 C ATOM 854 C SER A 55 -2.130 9.329 7.839 1.00 0.01 C ATOM 855 O SER A 55 -2.287 8.397 8.606 1.00 0.01 O ATOM 856 CB SER A 55 -3.693 11.266 7.693 1.00 1.90 C ATOM 857 OG SER A 55 -3.682 11.145 9.110 1.00 2.33 O ATOM 0 H SER A 55 -4.755 8.716 8.068 1.00 0.02 H new ATOM 0 HA SER A 55 -3.014 10.075 6.027 1.00 0.02 H new ATOM 0 HB2 SER A 55 -2.996 12.043 7.378 1.00 1.90 H new ATOM 0 HB3 SER A 55 -4.683 11.568 7.350 1.00 1.90 H new ATOM 0 HG SER A 55 -4.563 10.847 9.420 1.00 2.33 H new ATOM 863 N GLY A 56 -0.945 9.844 7.629 1.00 0.02 N ATOM 864 CA GLY A 56 0.254 9.298 8.332 1.00 0.02 C ATOM 865 C GLY A 56 0.846 8.146 7.515 1.00 0.02 C ATOM 866 O GLY A 56 0.590 8.018 6.335 1.00 0.00 O ATOM 0 H GLY A 56 -0.756 10.623 6.998 1.00 0.02 H new ATOM 0 HA2 GLY A 56 0.999 10.083 8.466 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -0.023 8.948 9.326 1.00 0.02 H new ATOM 870 N HIS A 57 1.648 7.315 8.122 1.00 0.02 N ATOM 871 CA HIS A 57 2.263 6.189 7.359 1.00 0.02 C ATOM 872 C HIS A 57 1.182 5.202 6.923 1.00 0.01 C ATOM 873 O HIS A 57 0.284 4.889 7.679 1.00 0.01 O ATOM 874 CB HIS A 57 3.283 5.473 8.243 1.00 0.00 C ATOM 875 CG HIS A 57 4.379 6.431 8.620 1.00 0.01 C ATOM 876 ND1 HIS A 57 4.121 7.636 9.251 1.00 0.01 N ATOM 877 CD2 HIS A 57 5.741 6.374 8.459 1.00 0.01 C ATOM 878 CE1 HIS A 57 5.300 8.252 9.445 1.00 0.02 C ATOM 879 NE2 HIS A 57 6.321 7.525 8.980 1.00 0.01 N ATOM 0 H HIS A 57 1.904 7.365 9.108 1.00 0.02 H new ATOM 0 HA HIS A 57 2.761 6.586 6.474 1.00 0.02 H new ATOM 0 HB2 HIS A 57 2.797 5.089 9.140 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.700 4.616 7.714 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.280 5.559 7.998 1.00 0.01 H new ATOM 0 HE1 HIS A 57 5.409 9.216 9.919 1.00 0.02 H new ATOM 0 HE2 HIS A 57 7.312 7.764 9.003 1.00 0.01 H new ATOM 887 N MET A 58 1.269 4.705 5.707 1.00 0.02 N ATOM 888 CA MET A 58 0.254 3.724 5.202 1.00 0.02 C ATOM 889 C MET A 58 0.945 2.397 4.864 1.00 0.01 C ATOM 890 O MET A 58 2.011 2.370 4.282 1.00 0.01 O ATOM 891 CB MET A 58 -0.416 4.291 3.944 1.00 2.61 C ATOM 892 CG MET A 58 0.577 4.296 2.778 1.00 3.46 C ATOM 893 SD MET A 58 -0.049 5.362 1.456 1.00 4.50 S ATOM 894 CE MET A 58 -1.181 4.160 0.715 1.00 5.01 C ATOM 0 H MET A 58 2.005 4.940 5.041 1.00 0.02 H new ATOM 0 HA MET A 58 -0.500 3.551 5.970 1.00 0.02 H new ATOM 0 HB2 MET A 58 -1.289 3.692 3.686 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.770 5.304 4.136 1.00 2.61 H new ATOM 0 HG2 MET A 58 1.550 4.652 3.117 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.721 3.282 2.405 1.00 3.46 H new ATOM 0 HE1 MET A 58 -1.813 4.660 -0.019 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.607 3.374 0.225 1.00 5.01 H new ATOM 0 HE3 MET A 58 -1.806 3.722 1.493 1.00 5.01 H new ATOM 904 N TYR A 59 0.338 1.297 5.232 1.00 0.02 N ATOM 905 CA TYR A 59 0.932 -0.050 4.951 1.00 0.01 C ATOM 906 C TYR A 59 -0.138 -0.963 4.343 1.00 0.01 C ATOM 907 O TYR A 59 -1.273 -0.993 4.779 1.00 0.02 O ATOM 908 CB TYR A 59 1.420 -0.676 6.256 1.00 0.01 C ATOM 909 CG TYR A 59 2.526 0.164 6.843 1.00 0.01 C ATOM 910 CD1 TYR A 59 2.220 1.215 7.715 1.00 0.01 C ATOM 911 CD2 TYR A 59 3.859 -0.117 6.525 1.00 0.01 C ATOM 912 CE1 TYR A 59 3.247 1.986 8.268 1.00 0.01 C ATOM 913 CE2 TYR A 59 4.887 0.654 7.080 1.00 0.02 C ATOM 914 CZ TYR A 59 4.581 1.706 7.952 1.00 0.01 C ATOM 915 OH TYR A 59 5.594 2.466 8.499 1.00 0.01 O ATOM 0 H TYR A 59 -0.556 1.273 5.722 1.00 0.02 H new ATOM 0 HA TYR A 59 1.765 0.065 4.258 1.00 0.01 H new ATOM 0 HB2 TYR A 59 0.595 -0.753 6.964 1.00 0.01 H new ATOM 0 HB3 TYR A 59 1.778 -1.689 6.072 1.00 0.01 H new ATOM 0 HD1 TYR A 59 1.191 1.431 7.961 1.00 0.01 H new ATOM 0 HD2 TYR A 59 4.095 -0.928 5.852 1.00 0.01 H new ATOM 0 HE1 TYR A 59 3.010 2.798 8.939 1.00 0.01 H new ATOM 0 HE2 TYR A 59 5.916 0.437 6.836 1.00 0.02 H new ATOM 0 HH TYR A 59 6.459 2.138 8.177 1.00 0.01 H new ATOM 925 N ILE A 60 0.232 -1.723 3.341 1.00 0.02 N ATOM 926 CA ILE A 60 -0.732 -2.662 2.689 1.00 0.01 C ATOM 927 C ILE A 60 -0.580 -4.047 3.329 1.00 0.01 C ATOM 928 O ILE A 60 0.519 -4.539 3.491 1.00 0.01 O ATOM 929 CB ILE A 60 -0.424 -2.752 1.187 1.00 0.45 C ATOM 930 CG1 ILE A 60 -0.097 -1.357 0.640 1.00 1.35 C ATOM 931 CG2 ILE A 60 -1.638 -3.320 0.447 1.00 1.21 C ATOM 932 CD1 ILE A 60 -1.203 -0.370 1.025 1.00 1.72 C ATOM 0 H ILE A 60 1.171 -1.732 2.943 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.752 -2.301 2.823 1.00 0.01 H new ATOM 0 HB ILE A 60 0.433 -3.408 1.035 1.00 0.45 H new ATOM 0 HG12 ILE A 60 0.859 -1.017 1.037 1.00 1.35 H new ATOM 0 HG13 ILE A 60 0.004 -1.397 -0.445 1.00 1.35 H new ATOM 0 HG21 ILE A 60 -1.418 -3.383 -0.619 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -1.865 -4.315 0.830 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -2.497 -2.667 0.602 1.00 1.21 H new ATOM 0 HD11 ILE A 60 -0.962 0.618 0.632 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -2.152 -0.705 0.606 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -1.283 -0.319 2.111 1.00 1.72 H new ATOM 944 N LEU A 61 -1.672 -4.664 3.718 1.00 0.01 N ATOM 945 CA LEU A 61 -1.597 -6.010 4.381 1.00 0.01 C ATOM 946 C LEU A 61 -2.380 -7.074 3.563 1.00 0.01 C ATOM 947 O LEU A 61 -3.592 -7.016 3.508 1.00 0.00 O ATOM 948 CB LEU A 61 -2.235 -5.886 5.787 1.00 0.01 C ATOM 949 CG LEU A 61 -1.150 -5.690 6.863 1.00 0.02 C ATOM 950 CD1 LEU A 61 -1.825 -5.414 8.211 1.00 0.01 C ATOM 951 CD2 LEU A 61 -0.263 -6.955 6.969 1.00 0.01 C ATOM 0 H LEU A 61 -2.616 -4.293 3.605 1.00 0.01 H new ATOM 0 HA LEU A 61 -0.555 -6.324 4.446 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -2.927 -5.044 5.804 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -2.816 -6.781 6.008 1.00 0.01 H new ATOM 0 HG LEU A 61 -0.518 -4.846 6.587 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -1.063 -5.274 8.978 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -2.433 -4.513 8.135 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -2.459 -6.259 8.480 1.00 0.01 H new ATOM 0 HD21 LEU A 61 0.499 -6.802 7.733 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -0.881 -7.811 7.239 1.00 0.01 H new ATOM 0 HD23 LEU A 61 0.218 -7.143 6.009 1.00 0.01 H new ATOM 963 N PRO A 62 -1.727 -8.060 2.959 1.00 0.02 N ATOM 964 CA PRO A 62 -2.475 -9.119 2.222 1.00 0.01 C ATOM 965 C PRO A 62 -3.063 -10.134 3.216 1.00 0.00 C ATOM 966 O PRO A 62 -2.735 -10.120 4.386 1.00 0.02 O ATOM 967 CB PRO A 62 -1.377 -9.746 1.349 1.00 1.47 C ATOM 968 CG PRO A 62 -0.016 -9.369 1.964 1.00 1.29 C ATOM 969 CD PRO A 62 -0.238 -8.195 2.940 1.00 0.82 C ATOM 0 HA PRO A 62 -3.322 -8.755 1.640 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.492 -10.829 1.310 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.448 -9.381 0.325 1.00 1.47 H new ATOM 0 HG2 PRO A 62 0.414 -10.223 2.488 1.00 1.29 H new ATOM 0 HG3 PRO A 62 0.689 -9.086 1.183 1.00 1.29 H new ATOM 0 HD2 PRO A 62 0.162 -8.411 3.931 1.00 0.82 H new ATOM 0 HD3 PRO A 62 0.247 -7.283 2.593 1.00 0.82 H new ATOM 977 N GLN A 63 -3.929 -11.008 2.776 1.00 0.02 N ATOM 978 CA GLN A 63 -4.525 -12.005 3.714 1.00 0.00 C ATOM 979 C GLN A 63 -3.421 -12.765 4.456 1.00 0.00 C ATOM 980 O GLN A 63 -2.404 -13.099 3.884 1.00 0.02 O ATOM 981 CB GLN A 63 -5.371 -13.001 2.916 1.00 1.27 C ATOM 982 CG GLN A 63 -4.565 -13.511 1.720 1.00 1.67 C ATOM 983 CD GLN A 63 -5.405 -14.518 0.934 1.00 2.43 C ATOM 984 OE1 GLN A 63 -6.568 -14.716 1.225 1.00 4.25 O ATOM 985 NE2 GLN A 63 -4.860 -15.167 -0.057 1.00 3.04 N ATOM 0 H GLN A 63 -4.249 -11.075 1.810 1.00 0.02 H new ATOM 0 HA GLN A 63 -5.145 -11.481 4.441 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.666 -13.836 3.552 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -6.288 -12.522 2.573 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -4.280 -12.678 1.077 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -3.642 -13.979 2.062 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -3.884 -15.000 -0.300 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -5.410 -15.842 -0.589 1.00 3.04 H new ATOM 994 N GLY A 64 -3.607 -13.052 5.722 1.00 0.02 N ATOM 995 CA GLY A 64 -2.550 -13.799 6.467 1.00 0.01 C ATOM 996 C GLY A 64 -2.635 -13.502 7.968 1.00 0.02 C ATOM 997 O GLY A 64 -3.508 -12.793 8.430 1.00 0.02 O ATOM 0 H GLY A 64 -4.435 -12.804 6.264 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -2.664 -14.869 6.296 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -1.566 -13.519 6.091 1.00 0.01 H new ATOM 1001 N GLU A 65 -1.724 -14.050 8.733 1.00 0.02 N ATOM 1002 CA GLU A 65 -1.721 -13.824 10.214 1.00 0.02 C ATOM 1003 C GLU A 65 -0.418 -13.143 10.627 1.00 0.02 C ATOM 1004 O GLU A 65 0.664 -13.573 10.278 1.00 0.02 O ATOM 1005 CB GLU A 65 -1.821 -15.176 10.921 1.00 0.77 C ATOM 1006 CG GLU A 65 -1.911 -14.952 12.431 1.00 0.49 C ATOM 1007 CD GLU A 65 -2.307 -16.260 13.117 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -2.368 -17.269 12.435 1.00 0.96 O ATOM 1009 OE2 GLU A 65 -2.545 -16.230 14.313 1.00 0.71 O ATOM 0 H GLU A 65 -0.974 -14.651 8.392 1.00 0.02 H new ATOM 0 HA GLU A 65 -2.565 -13.191 10.489 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -2.698 -15.719 10.570 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -0.951 -15.788 10.684 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -0.953 -14.603 12.815 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -2.645 -14.177 12.651 1.00 0.49 H new ATOM 1016 N TYR A 66 -0.526 -12.086 11.393 1.00 0.02 N ATOM 1017 CA TYR A 66 0.680 -11.350 11.878 1.00 0.02 C ATOM 1018 C TYR A 66 0.669 -11.379 13.419 1.00 0.02 C ATOM 1019 O TYR A 66 0.014 -10.562 14.045 1.00 0.02 O ATOM 1020 CB TYR A 66 0.584 -9.906 11.388 1.00 0.01 C ATOM 1021 CG TYR A 66 0.585 -9.912 9.878 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -0.610 -10.107 9.177 1.00 0.02 C ATOM 1023 CD2 TYR A 66 1.785 -9.735 9.182 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -0.605 -10.124 7.776 1.00 0.02 C ATOM 1025 CE2 TYR A 66 1.791 -9.753 7.782 1.00 0.02 C ATOM 1026 CZ TYR A 66 0.597 -9.948 7.079 1.00 0.02 C ATOM 1027 OH TYR A 66 0.604 -9.964 5.699 1.00 0.01 O ATOM 0 H TYR A 66 -1.415 -11.696 11.707 1.00 0.02 H new ATOM 0 HA TYR A 66 1.599 -11.804 11.507 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -0.326 -9.438 11.764 1.00 0.01 H new ATOM 0 HB3 TYR A 66 1.423 -9.321 11.765 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -1.536 -10.244 9.716 1.00 0.02 H new ATOM 0 HD2 TYR A 66 2.707 -9.584 9.724 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -1.527 -10.273 7.234 1.00 0.02 H new ATOM 0 HE2 TYR A 66 2.718 -9.616 7.244 1.00 0.02 H new ATOM 0 HH TYR A 66 1.519 -9.826 5.375 1.00 0.01 H new ATOM 1037 N PRO A 67 1.367 -12.314 14.044 1.00 0.01 N ATOM 1038 CA PRO A 67 1.367 -12.397 15.532 1.00 0.02 C ATOM 1039 C PRO A 67 2.037 -11.194 16.210 1.00 0.02 C ATOM 1040 O PRO A 67 2.017 -11.081 17.419 1.00 0.02 O ATOM 1041 CB PRO A 67 2.144 -13.704 15.809 1.00 0.02 C ATOM 1042 CG PRO A 67 2.551 -14.327 14.458 1.00 0.02 C ATOM 1043 CD PRO A 67 2.175 -13.346 13.332 1.00 0.01 C ATOM 0 HA PRO A 67 0.356 -12.390 15.938 1.00 0.02 H new ATOM 0 HB2 PRO A 67 3.028 -13.499 16.413 1.00 0.02 H new ATOM 0 HB3 PRO A 67 1.525 -14.400 16.376 1.00 0.02 H new ATOM 0 HG2 PRO A 67 3.622 -14.529 14.442 1.00 0.02 H new ATOM 0 HG3 PRO A 67 2.044 -15.281 14.313 1.00 0.02 H new ATOM 0 HD2 PRO A 67 3.058 -12.914 12.861 1.00 0.01 H new ATOM 0 HD3 PRO A 67 1.602 -13.835 12.545 1.00 0.01 H new ATOM 1051 N GLU A 68 2.615 -10.289 15.466 1.00 0.01 N ATOM 1052 CA GLU A 68 3.256 -9.106 16.109 1.00 0.01 C ATOM 1053 C GLU A 68 3.329 -7.988 15.070 1.00 0.03 C ATOM 1054 O GLU A 68 3.317 -8.222 13.878 1.00 0.02 O ATOM 1055 CB GLU A 68 4.680 -9.454 16.562 1.00 0.69 C ATOM 1056 CG GLU A 68 4.631 -10.452 17.720 1.00 1.09 C ATOM 1057 CD GLU A 68 6.003 -10.521 18.393 1.00 1.35 C ATOM 1058 OE1 GLU A 68 6.974 -10.153 17.754 1.00 2.02 O ATOM 1059 OE2 GLU A 68 6.058 -10.942 19.537 1.00 1.55 O ATOM 0 H GLU A 68 2.671 -10.317 14.448 1.00 0.01 H new ATOM 0 HA GLU A 68 2.674 -8.799 16.978 1.00 0.01 H new ATOM 0 HB2 GLU A 68 5.242 -9.877 15.730 1.00 0.69 H new ATOM 0 HB3 GLU A 68 5.203 -8.549 16.872 1.00 0.69 H new ATOM 0 HG2 GLU A 68 3.874 -10.149 18.443 1.00 1.09 H new ATOM 0 HG3 GLU A 68 4.344 -11.437 17.353 1.00 1.09 H new ATOM 1066 N TYR A 69 3.356 -6.768 15.525 1.00 0.02 N ATOM 1067 CA TYR A 69 3.365 -5.623 14.576 1.00 0.02 C ATOM 1068 C TYR A 69 4.591 -5.656 13.660 1.00 0.01 C ATOM 1069 O TYR A 69 4.509 -5.331 12.493 1.00 0.01 O ATOM 1070 CB TYR A 69 3.282 -4.299 15.348 1.00 0.02 C ATOM 1071 CG TYR A 69 4.556 -4.055 16.128 1.00 0.02 C ATOM 1072 CD1 TYR A 69 4.808 -4.769 17.307 1.00 0.02 C ATOM 1073 CD2 TYR A 69 5.478 -3.099 15.681 1.00 0.02 C ATOM 1074 CE1 TYR A 69 5.978 -4.528 18.036 1.00 0.02 C ATOM 1075 CE2 TYR A 69 6.648 -2.860 16.410 1.00 0.02 C ATOM 1076 CZ TYR A 69 6.899 -3.573 17.587 1.00 0.02 C ATOM 1077 OH TYR A 69 8.051 -3.334 18.307 1.00 0.01 O ATOM 0 H TYR A 69 3.372 -6.514 16.513 1.00 0.02 H new ATOM 0 HA TYR A 69 2.488 -5.707 13.934 1.00 0.02 H new ATOM 0 HB2 TYR A 69 3.112 -3.477 14.653 1.00 0.02 H new ATOM 0 HB3 TYR A 69 2.431 -4.322 16.029 1.00 0.02 H new ATOM 0 HD1 TYR A 69 4.099 -5.506 17.653 1.00 0.02 H new ATOM 0 HD2 TYR A 69 5.285 -2.546 14.773 1.00 0.02 H new ATOM 0 HE1 TYR A 69 6.171 -5.078 18.945 1.00 0.02 H new ATOM 0 HE2 TYR A 69 7.358 -2.124 16.064 1.00 0.02 H new ATOM 0 HH TYR A 69 8.581 -2.643 17.857 1.00 0.01 H new ATOM 1087 N GLN A 70 5.727 -6.047 14.173 1.00 0.01 N ATOM 1088 CA GLN A 70 6.957 -6.106 13.328 1.00 0.02 C ATOM 1089 C GLN A 70 6.761 -7.086 12.164 1.00 0.01 C ATOM 1090 O GLN A 70 7.399 -6.985 11.134 1.00 0.02 O ATOM 1091 CB GLN A 70 8.133 -6.583 14.183 1.00 0.01 C ATOM 1092 CG GLN A 70 8.359 -5.600 15.332 1.00 0.01 C ATOM 1093 CD GLN A 70 8.886 -4.276 14.778 1.00 0.02 C ATOM 1094 OE1 GLN A 70 8.127 -3.459 14.297 1.00 0.01 O ATOM 1095 NE2 GLN A 70 10.165 -4.025 14.828 1.00 0.02 N ATOM 0 H GLN A 70 5.857 -6.329 15.144 1.00 0.01 H new ATOM 0 HA GLN A 70 7.157 -5.112 12.929 1.00 0.02 H new ATOM 0 HB2 GLN A 70 7.930 -7.579 14.577 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.033 -6.659 13.573 1.00 0.01 H new ATOM 0 HG2 GLN A 70 7.426 -5.435 15.871 1.00 0.01 H new ATOM 0 HG3 GLN A 70 9.070 -6.016 16.045 1.00 0.01 H new ATOM 0 HE21 GLN A 70 10.804 -4.710 15.232 1.00 0.02 H new ATOM 0 HE22 GLN A 70 10.526 -3.144 14.463 1.00 0.02 H new ATOM 1104 N ARG A 71 5.871 -8.032 12.325 1.00 0.01 N ATOM 1105 CA ARG A 71 5.621 -9.015 11.232 1.00 0.02 C ATOM 1106 C ARG A 71 4.932 -8.289 10.077 1.00 0.01 C ATOM 1107 O ARG A 71 4.903 -8.748 8.952 1.00 0.02 O ATOM 1108 CB ARG A 71 4.725 -10.146 11.744 1.00 0.34 C ATOM 1109 CG ARG A 71 4.759 -11.329 10.760 1.00 0.72 C ATOM 1110 CD ARG A 71 6.032 -12.185 10.977 1.00 1.04 C ATOM 1111 NE ARG A 71 6.681 -12.484 9.658 1.00 1.67 N ATOM 1112 CZ ARG A 71 5.983 -12.910 8.636 1.00 2.47 C ATOM 1113 NH1 ARG A 71 4.711 -13.166 8.766 1.00 2.54 N ATOM 1114 NH2 ARG A 71 6.570 -13.104 7.486 1.00 3.42 N ATOM 0 H ARG A 71 5.308 -8.165 13.165 1.00 0.01 H new ATOM 0 HA ARG A 71 6.564 -9.445 10.894 1.00 0.02 H new ATOM 0 HB2 ARG A 71 5.062 -10.471 12.728 1.00 0.34 H new ATOM 0 HB3 ARG A 71 3.702 -9.787 11.859 1.00 0.34 H new ATOM 0 HG2 ARG A 71 3.872 -11.947 10.896 1.00 0.72 H new ATOM 0 HG3 ARG A 71 4.735 -10.957 9.736 1.00 0.72 H new ATOM 0 HD2 ARG A 71 6.731 -11.654 11.623 1.00 1.04 H new ATOM 0 HD3 ARG A 71 5.773 -13.115 11.483 1.00 1.04 H new ATOM 0 HE ARG A 71 7.687 -12.353 9.555 1.00 1.67 H new ATOM 0 HH11 ARG A 71 4.254 -13.035 9.668 1.00 2.54 H new ATOM 0 HH12 ARG A 71 4.173 -13.498 7.965 1.00 2.54 H new ATOM 0 HH21 ARG A 71 7.569 -12.924 7.386 1.00 3.42 H new ATOM 0 HH22 ARG A 71 6.030 -13.436 6.687 1.00 3.42 H new ATOM 1128 N TRP A 72 4.375 -7.148 10.371 1.00 0.02 N ATOM 1129 CA TRP A 72 3.664 -6.335 9.345 1.00 0.01 C ATOM 1130 C TRP A 72 4.546 -5.118 9.033 1.00 0.01 C ATOM 1131 O TRP A 72 4.144 -4.181 8.377 1.00 0.02 O ATOM 1132 CB TRP A 72 2.298 -5.938 9.955 1.00 0.02 C ATOM 1133 CG TRP A 72 1.833 -4.593 9.495 1.00 0.01 C ATOM 1134 CD1 TRP A 72 1.563 -4.252 8.217 1.00 0.01 C ATOM 1135 CD2 TRP A 72 1.554 -3.414 10.304 1.00 0.02 C ATOM 1136 NE1 TRP A 72 1.147 -2.933 8.188 1.00 0.02 N ATOM 1137 CE2 TRP A 72 1.124 -2.374 9.452 1.00 0.02 C ATOM 1138 CE3 TRP A 72 1.638 -3.152 11.684 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 0.789 -1.114 9.949 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 1.300 -1.886 12.188 1.00 0.02 C ATOM 1141 CH2 TRP A 72 0.876 -0.869 11.323 1.00 0.02 C ATOM 0 H TRP A 72 4.383 -6.735 11.303 1.00 0.02 H new ATOM 0 HA TRP A 72 3.484 -6.869 8.412 1.00 0.01 H new ATOM 0 HB2 TRP A 72 1.553 -6.687 9.687 1.00 0.02 H new ATOM 0 HB3 TRP A 72 2.375 -5.940 11.042 1.00 0.02 H new ATOM 0 HD1 TRP A 72 1.656 -4.901 7.359 1.00 0.01 H new ATOM 0 HE1 TRP A 72 0.889 -2.433 7.337 1.00 0.02 H new ATOM 0 HE3 TRP A 72 1.964 -3.929 12.359 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 0.465 -0.333 9.277 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 1.367 -1.695 13.249 1.00 0.02 H new ATOM 0 HH2 TRP A 72 0.617 0.103 11.717 1.00 0.02 H new ATOM 1152 N MET A 73 5.757 -5.152 9.515 1.00 0.02 N ATOM 1153 CA MET A 73 6.710 -4.029 9.281 1.00 0.02 C ATOM 1154 C MET A 73 6.143 -2.723 9.846 1.00 0.01 C ATOM 1155 O MET A 73 6.530 -1.638 9.456 1.00 0.02 O ATOM 1156 CB MET A 73 6.980 -3.868 7.778 1.00 0.02 C ATOM 1157 CG MET A 73 7.414 -5.211 7.167 1.00 0.01 C ATOM 1158 SD MET A 73 5.949 -6.146 6.655 1.00 0.01 S ATOM 1159 CE MET A 73 5.851 -5.511 4.962 1.00 0.01 C ATOM 0 H MET A 73 6.133 -5.921 10.069 1.00 0.02 H new ATOM 0 HA MET A 73 7.646 -4.259 9.790 1.00 0.02 H new ATOM 0 HB2 MET A 73 6.082 -3.506 7.277 1.00 0.02 H new ATOM 0 HB3 MET A 73 7.757 -3.120 7.619 1.00 0.02 H new ATOM 0 HG2 MET A 73 8.066 -5.039 6.311 1.00 0.01 H new ATOM 0 HG3 MET A 73 7.988 -5.785 7.895 1.00 0.01 H new ATOM 0 HE1 MET A 73 5.001 -5.964 4.452 1.00 0.01 H new ATOM 0 HE2 MET A 73 5.725 -4.429 4.986 1.00 0.01 H new ATOM 0 HE3 MET A 73 6.768 -5.758 4.427 1.00 0.01 H new ATOM 1169 N GLY A 74 5.227 -2.829 10.771 1.00 0.02 N ATOM 1170 CA GLY A 74 4.630 -1.607 11.374 1.00 0.02 C ATOM 1171 C GLY A 74 5.736 -0.792 12.037 1.00 0.01 C ATOM 1172 O GLY A 74 6.667 -1.335 12.598 1.00 0.01 O ATOM 0 H GLY A 74 4.867 -3.712 11.134 1.00 0.02 H new ATOM 0 HA2 GLY A 74 4.132 -1.013 10.607 1.00 0.02 H new ATOM 0 HA3 GLY A 74 3.872 -1.881 12.108 1.00 0.02 H new ATOM 1176 N LEU A 75 5.631 0.507 12.010 1.00 0.02 N ATOM 1177 CA LEU A 75 6.669 1.343 12.677 1.00 0.02 C ATOM 1178 C LEU A 75 6.376 1.333 14.187 1.00 0.01 C ATOM 1179 O LEU A 75 7.269 1.390 15.008 1.00 0.02 O ATOM 1180 CB LEU A 75 6.613 2.774 12.110 1.00 0.55 C ATOM 1181 CG LEU A 75 8.006 3.419 12.137 1.00 0.58 C ATOM 1182 CD1 LEU A 75 7.901 4.877 11.681 1.00 0.98 C ATOM 1183 CD2 LEU A 75 8.580 3.364 13.560 1.00 0.42 C ATOM 0 H LEU A 75 4.877 1.024 11.558 1.00 0.02 H new ATOM 0 HA LEU A 75 7.670 0.951 12.497 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.236 2.752 11.087 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.916 3.376 12.694 1.00 0.55 H new ATOM 0 HG LEU A 75 8.668 2.873 11.465 1.00 0.58 H new ATOM 0 HD11 LEU A 75 8.889 5.336 11.700 1.00 0.98 H new ATOM 0 HD12 LEU A 75 7.503 4.913 10.667 1.00 0.98 H new ATOM 0 HD13 LEU A 75 7.236 5.421 12.351 1.00 0.98 H new ATOM 0 HD21 LEU A 75 9.568 3.823 13.572 1.00 0.42 H new ATOM 0 HD22 LEU A 75 7.921 3.904 14.239 1.00 0.42 H new ATOM 0 HD23 LEU A 75 8.659 2.325 13.881 1.00 0.42 H new ATOM 1195 N ASN A 76 5.124 1.223 14.550 1.00 0.01 N ATOM 1196 CA ASN A 76 4.723 1.166 15.980 1.00 0.02 C ATOM 1197 C ASN A 76 3.352 0.485 16.025 1.00 0.02 C ATOM 1198 O ASN A 76 2.891 -0.034 15.029 1.00 0.02 O ATOM 1199 CB ASN A 76 4.632 2.582 16.554 1.00 0.02 C ATOM 1200 CG ASN A 76 3.804 3.455 15.611 1.00 0.02 C ATOM 1201 OD1 ASN A 76 2.697 3.104 15.257 1.00 0.01 O ATOM 1202 ND2 ASN A 76 4.298 4.584 15.185 1.00 0.02 N ATOM 0 H ASN A 76 4.345 1.169 13.893 1.00 0.01 H new ATOM 0 HA ASN A 76 5.452 0.614 16.574 1.00 0.02 H new ATOM 0 HB2 ASN A 76 4.174 2.558 17.543 1.00 0.02 H new ATOM 0 HB3 ASN A 76 5.630 3.003 16.676 1.00 0.02 H new ATOM 0 HD21 ASN A 76 3.754 5.173 14.554 1.00 0.02 H new ATOM 0 HD22 ASN A 76 5.228 4.878 15.483 1.00 0.02 H new ATOM 1209 N ASP A 77 2.694 0.465 17.156 1.00 0.01 N ATOM 1210 CA ASP A 77 1.355 -0.206 17.231 1.00 0.01 C ATOM 1211 C ASP A 77 0.233 0.830 17.104 1.00 0.01 C ATOM 1212 O ASP A 77 -0.846 0.642 17.636 1.00 0.01 O ATOM 1213 CB ASP A 77 1.224 -0.919 18.582 1.00 0.01 C ATOM 1214 CG ASP A 77 1.729 0.001 19.694 1.00 0.01 C ATOM 1215 OD1 ASP A 77 1.702 1.205 19.499 1.00 0.01 O ATOM 1216 OD2 ASP A 77 2.134 -0.515 20.723 1.00 0.02 O ATOM 0 H ASP A 77 3.021 0.881 18.028 1.00 0.01 H new ATOM 0 HA ASP A 77 1.273 -0.924 16.415 1.00 0.01 H new ATOM 0 HB2 ASP A 77 0.184 -1.190 18.763 1.00 0.01 H new ATOM 0 HB3 ASP A 77 1.798 -1.846 18.573 1.00 0.01 H new ATOM 1221 N ARG A 78 0.475 1.927 16.425 1.00 0.01 N ATOM 1222 CA ARG A 78 -0.584 2.979 16.294 1.00 0.01 C ATOM 1223 C ARG A 78 -1.328 2.851 14.959 1.00 0.02 C ATOM 1224 O ARG A 78 -0.742 2.935 13.899 1.00 0.02 O ATOM 1225 CB ARG A 78 0.059 4.363 16.388 1.00 0.43 C ATOM 1226 CG ARG A 78 0.712 4.525 17.767 1.00 0.80 C ATOM 1227 CD ARG A 78 1.284 5.953 17.931 1.00 1.00 C ATOM 1228 NE ARG A 78 2.656 5.890 18.531 1.00 1.30 N ATOM 1229 CZ ARG A 78 2.908 5.140 19.574 1.00 2.30 C ATOM 1230 NH1 ARG A 78 1.942 4.517 20.190 1.00 2.72 N ATOM 1231 NH2 ARG A 78 4.129 5.040 20.021 1.00 3.20 N ATOM 0 H ARG A 78 1.357 2.139 15.958 1.00 0.01 H new ATOM 0 HA ARG A 78 -1.303 2.845 17.102 1.00 0.01 H new ATOM 0 HB2 ARG A 78 0.805 4.484 15.603 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -0.693 5.137 16.235 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -0.022 4.329 18.549 1.00 0.80 H new ATOM 0 HG3 ARG A 78 1.509 3.791 17.887 1.00 0.80 H new ATOM 0 HD2 ARG A 78 1.324 6.451 16.962 1.00 1.00 H new ATOM 0 HD3 ARG A 78 0.627 6.546 18.567 1.00 1.00 H new ATOM 0 HE ARG A 78 3.408 6.442 18.119 1.00 1.30 H new ATOM 0 HH11 ARG A 78 0.982 4.612 19.860 1.00 2.72 H new ATOM 0 HH12 ARG A 78 2.147 3.935 21.002 1.00 2.72 H new ATOM 0 HH21 ARG A 78 4.885 5.545 19.558 1.00 3.20 H new ATOM 0 HH22 ARG A 78 4.328 4.456 20.833 1.00 3.20 H new ATOM 1245 N LEU A 79 -2.622 2.700 15.008 1.00 0.01 N ATOM 1246 CA LEU A 79 -3.436 2.625 13.756 1.00 0.01 C ATOM 1247 C LEU A 79 -4.762 3.332 14.044 1.00 0.01 C ATOM 1248 O LEU A 79 -5.467 2.981 14.969 1.00 0.02 O ATOM 1249 CB LEU A 79 -3.692 1.162 13.366 1.00 1.04 C ATOM 1250 CG LEU A 79 -2.432 0.531 12.737 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -2.731 -0.933 12.372 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -2.006 1.303 11.466 1.00 2.61 C ATOM 0 H LEU A 79 -3.159 2.624 15.872 1.00 0.01 H new ATOM 0 HA LEU A 79 -2.910 3.098 12.927 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -3.987 0.593 14.247 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -4.521 1.109 12.660 1.00 1.04 H new ATOM 0 HG LEU A 79 -1.617 0.580 13.459 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -1.845 -1.385 11.927 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -3.006 -1.483 13.272 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -3.554 -0.969 11.658 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -1.116 0.840 11.040 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -2.814 1.275 10.735 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -1.787 2.339 11.726 1.00 2.61 H new ATOM 1264 N GLY A 80 -5.081 4.362 13.298 1.00 0.02 N ATOM 1265 CA GLY A 80 -6.338 5.138 13.568 1.00 0.02 C ATOM 1266 C GLY A 80 -7.422 4.858 12.525 1.00 0.02 C ATOM 1267 O GLY A 80 -8.579 5.158 12.742 1.00 0.01 O ATOM 0 H GLY A 80 -4.526 4.701 12.512 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -6.715 4.884 14.559 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -6.111 6.204 13.577 1.00 0.02 H new ATOM 1271 N SER A 81 -7.086 4.296 11.396 1.00 0.01 N ATOM 1272 CA SER A 81 -8.140 4.026 10.373 1.00 0.01 C ATOM 1273 C SER A 81 -7.692 2.898 9.448 1.00 0.02 C ATOM 1274 O SER A 81 -6.515 2.638 9.278 1.00 0.01 O ATOM 1275 CB SER A 81 -8.386 5.296 9.559 1.00 0.01 C ATOM 1276 OG SER A 81 -9.362 5.030 8.563 1.00 0.01 O ATOM 0 H SER A 81 -6.140 4.015 11.138 1.00 0.01 H new ATOM 0 HA SER A 81 -9.062 3.726 10.872 1.00 0.01 H new ATOM 0 HB2 SER A 81 -8.725 6.101 10.212 1.00 0.01 H new ATOM 0 HB3 SER A 81 -7.458 5.631 9.096 1.00 0.01 H new ATOM 0 HG SER A 81 -9.185 5.585 7.775 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.638 2.221 8.844 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.290 1.100 7.920 1.00 0.01 C ATOM 1284 C CYS A 82 -9.292 1.052 6.763 1.00 0.01 C ATOM 1285 O CYS A 82 -10.453 1.377 6.919 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.329 -0.226 8.680 1.00 0.01 C ATOM 1287 SG CYS A 82 -7.626 -1.534 7.645 1.00 0.02 S ATOM 0 H CYS A 82 -9.637 2.398 8.952 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.287 1.263 7.524 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -7.767 -0.141 9.610 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -9.356 -0.473 8.950 1.00 0.01 H new ATOM 0 HG CYS A 82 -6.880 -1.003 6.722 1.00 0.02 H new ATOM 1293 N ARG A 83 -8.852 0.634 5.604 1.00 0.01 N ATOM 1294 CA ARG A 83 -9.772 0.546 4.426 1.00 0.01 C ATOM 1295 C ARG A 83 -9.561 -0.793 3.726 1.00 0.01 C ATOM 1296 O ARG A 83 -8.449 -1.258 3.566 1.00 0.01 O ATOM 1297 CB ARG A 83 -9.433 1.656 3.427 1.00 0.01 C ATOM 1298 CG ARG A 83 -9.714 3.022 4.049 1.00 0.01 C ATOM 1299 CD ARG A 83 -9.670 4.090 2.954 1.00 0.01 C ATOM 1300 NE ARG A 83 -8.501 3.837 2.064 1.00 0.01 N ATOM 1301 CZ ARG A 83 -8.421 4.427 0.903 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -9.363 5.246 0.521 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -7.397 4.199 0.126 1.00 0.01 N ATOM 0 H ARG A 83 -7.890 0.348 5.420 1.00 0.01 H new ATOM 0 HA ARG A 83 -10.802 0.645 4.769 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -8.384 1.588 3.137 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -10.023 1.532 2.519 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -10.690 3.021 4.534 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -8.976 3.243 4.820 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -10.593 4.071 2.375 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -9.594 5.082 3.400 1.00 0.01 H new ATOM 0 HE ARG A 83 -7.762 3.201 2.363 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -10.161 5.425 1.130 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -9.301 5.707 -0.387 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -6.661 3.560 0.427 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -7.333 4.660 -0.782 1.00 0.01 H new ATOM 1317 N ALA A 84 -10.627 -1.419 3.297 1.00 0.01 N ATOM 1318 CA ALA A 84 -10.492 -2.722 2.600 1.00 0.01 C ATOM 1319 C ALA A 84 -10.035 -2.453 1.173 1.00 0.01 C ATOM 1320 O ALA A 84 -10.583 -1.625 0.473 1.00 0.00 O ATOM 1321 CB ALA A 84 -11.843 -3.440 2.560 1.00 0.43 C ATOM 0 H ALA A 84 -11.583 -1.080 3.402 1.00 0.01 H new ATOM 0 HA ALA A 84 -9.772 -3.348 3.128 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -11.732 -4.395 2.046 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -12.193 -3.614 3.578 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -12.567 -2.823 2.028 1.00 0.43 H new ATOM 1327 N VAL A 85 -9.037 -3.162 0.734 1.00 0.01 N ATOM 1328 CA VAL A 85 -8.533 -2.981 -0.654 1.00 0.01 C ATOM 1329 C VAL A 85 -9.209 -4.012 -1.567 1.00 0.01 C ATOM 1330 O VAL A 85 -9.162 -5.201 -1.320 1.00 0.01 O ATOM 1331 CB VAL A 85 -7.015 -3.162 -0.666 1.00 0.98 C ATOM 1332 CG1 VAL A 85 -6.476 -2.883 -2.068 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -6.376 -2.184 0.324 1.00 1.12 C ATOM 0 H VAL A 85 -8.543 -3.866 1.282 1.00 0.01 H new ATOM 0 HA VAL A 85 -8.767 -1.980 -1.016 1.00 0.01 H new ATOM 0 HB VAL A 85 -6.772 -4.185 -0.379 1.00 0.98 H new ATOM 0 HG11 VAL A 85 -5.394 -3.013 -2.074 1.00 1.25 H new ATOM 0 HG12 VAL A 85 -6.929 -3.577 -2.777 1.00 1.25 H new ATOM 0 HG13 VAL A 85 -6.721 -1.860 -2.355 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -5.294 -2.313 0.316 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -6.622 -1.162 0.036 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -6.757 -2.380 1.326 1.00 1.12 H new ATOM 1343 N HIS A 86 -9.846 -3.564 -2.616 1.00 0.01 N ATOM 1344 CA HIS A 86 -10.537 -4.511 -3.547 1.00 0.01 C ATOM 1345 C HIS A 86 -9.573 -4.901 -4.663 1.00 0.01 C ATOM 1346 O HIS A 86 -8.887 -4.073 -5.224 1.00 0.00 O ATOM 1347 CB HIS A 86 -11.764 -3.825 -4.150 1.00 0.21 C ATOM 1348 CG HIS A 86 -12.545 -3.153 -3.054 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -12.361 -1.819 -2.726 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -13.514 -3.619 -2.201 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -13.200 -1.531 -1.714 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -13.926 -2.593 -1.355 1.00 1.71 N ATOM 0 H HIS A 86 -9.919 -2.579 -2.871 1.00 0.01 H new ATOM 0 HA HIS A 86 -10.851 -5.402 -3.003 1.00 0.01 H new ATOM 0 HB2 HIS A 86 -11.456 -3.092 -4.895 1.00 0.21 H new ATOM 0 HB3 HIS A 86 -12.389 -4.556 -4.662 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -13.898 -4.628 -2.188 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -13.277 -0.559 -1.249 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -14.631 -2.642 -0.619 1.00 1.71 H new ATOM 1360 N LEU A 87 -9.525 -6.169 -4.990 1.00 0.01 N ATOM 1361 CA LEU A 87 -8.612 -6.653 -6.071 1.00 0.01 C ATOM 1362 C LEU A 87 -9.400 -6.784 -7.371 1.00 0.01 C ATOM 1363 O LEU A 87 -10.513 -7.274 -7.385 1.00 0.01 O ATOM 1364 CB LEU A 87 -8.055 -8.033 -5.676 1.00 0.67 C ATOM 1365 CG LEU A 87 -7.806 -8.085 -4.167 1.00 1.25 C ATOM 1366 CD1 LEU A 87 -7.156 -9.421 -3.806 1.00 1.63 C ATOM 1367 CD2 LEU A 87 -6.879 -6.940 -3.758 1.00 1.34 C ATOM 0 H LEU A 87 -10.086 -6.897 -4.549 1.00 0.01 H new ATOM 0 HA LEU A 87 -7.792 -5.948 -6.207 1.00 0.01 H new ATOM 0 HB2 LEU A 87 -8.759 -8.814 -5.964 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -7.126 -8.227 -6.213 1.00 0.67 H new ATOM 0 HG LEU A 87 -8.755 -7.986 -3.640 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -6.978 -9.460 -2.731 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -7.818 -10.237 -4.094 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -6.208 -9.519 -4.335 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -6.704 -6.980 -2.683 1.00 1.34 H new ATOM 0 HD22 LEU A 87 -5.929 -7.035 -4.284 1.00 1.34 H new ATOM 0 HD23 LEU A 87 -7.342 -5.987 -4.015 1.00 1.34 H new ATOM 1379 N SER A 88 -8.817 -6.378 -8.473 1.00 0.01 N ATOM 1380 CA SER A 88 -9.498 -6.498 -9.797 1.00 0.01 C ATOM 1381 C SER A 88 -8.752 -7.530 -10.644 1.00 0.01 C ATOM 1382 O SER A 88 -7.566 -7.387 -10.867 1.00 0.01 O ATOM 1383 CB SER A 88 -9.473 -5.147 -10.513 1.00 0.81 C ATOM 1384 OG SER A 88 -8.187 -4.939 -11.076 1.00 1.08 O ATOM 0 H SER A 88 -7.886 -5.963 -8.510 1.00 0.01 H new ATOM 0 HA SER A 88 -10.532 -6.809 -9.651 1.00 0.01 H new ATOM 0 HB2 SER A 88 -10.233 -5.122 -11.294 1.00 0.81 H new ATOM 0 HB3 SER A 88 -9.710 -4.346 -9.812 1.00 0.81 H new ATOM 0 HG SER A 88 -7.584 -5.656 -10.789 1.00 1.08 H new ATOM 1390 N SER A 89 -9.411 -8.530 -11.171 1.00 0.01 N ATOM 1391 CA SER A 89 -8.699 -9.507 -12.056 1.00 0.01 C ATOM 1392 C SER A 89 -9.085 -9.146 -13.487 1.00 0.01 C ATOM 1393 O SER A 89 -9.476 -8.023 -13.738 1.00 0.01 O ATOM 1394 CB SER A 89 -9.162 -10.930 -11.739 1.00 0.43 C ATOM 1395 OG SER A 89 -10.436 -11.148 -12.327 1.00 1.26 O ATOM 0 H SER A 89 -10.404 -8.714 -11.030 1.00 0.01 H new ATOM 0 HA SER A 89 -7.620 -9.464 -11.909 1.00 0.01 H new ATOM 0 HB2 SER A 89 -8.442 -11.653 -12.123 1.00 0.43 H new ATOM 0 HB3 SER A 89 -9.216 -11.076 -10.660 1.00 0.43 H new ATOM 0 HG SER A 89 -10.736 -12.059 -12.128 1.00 1.26 H new ATOM 1401 N GLY A 90 -9.033 -10.057 -14.430 1.00 0.01 N ATOM 1402 CA GLY A 90 -9.457 -9.707 -15.824 1.00 0.00 C ATOM 1403 C GLY A 90 -8.523 -10.292 -16.885 1.00 0.00 C ATOM 1404 O GLY A 90 -8.974 -10.919 -17.822 1.00 0.01 O ATOM 0 H GLY A 90 -8.719 -11.018 -14.297 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -10.470 -10.072 -15.995 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.487 -8.623 -15.930 1.00 0.00 H new ATOM 1408 N GLY A 91 -7.232 -10.118 -16.765 1.00 0.00 N ATOM 1409 CA GLY A 91 -6.340 -10.706 -17.804 1.00 0.00 C ATOM 1410 C GLY A 91 -4.862 -10.392 -17.545 1.00 0.00 C ATOM 1411 O GLY A 91 -4.223 -11.051 -16.748 1.00 0.01 O ATOM 0 H GLY A 91 -6.768 -9.608 -16.013 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.480 -11.787 -17.831 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.625 -10.323 -18.784 1.00 0.00 H new ATOM 1415 N GLN A 92 -4.304 -9.415 -18.222 1.00 1.80 N ATOM 1416 CA GLN A 92 -2.850 -9.081 -18.031 1.00 2.31 C ATOM 1417 C GLN A 92 -2.681 -7.630 -17.576 1.00 1.91 C ATOM 1418 O GLN A 92 -3.068 -6.694 -18.247 1.00 2.31 O ATOM 1419 CB GLN A 92 -2.114 -9.310 -19.353 1.00 2.11 C ATOM 1420 CG GLN A 92 -0.649 -8.892 -19.204 1.00 2.86 C ATOM 1421 CD GLN A 92 0.152 -9.404 -20.403 1.00 3.70 C ATOM 1422 OE1 GLN A 92 0.533 -10.557 -20.446 1.00 3.99 O ATOM 1423 NE2 GLN A 92 0.426 -8.590 -21.385 1.00 4.43 N ATOM 0 H GLN A 92 -4.792 -8.831 -18.901 1.00 1.80 H new ATOM 0 HA GLN A 92 -2.431 -9.724 -17.257 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -2.176 -10.360 -19.638 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -2.588 -8.735 -20.149 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -0.574 -7.806 -19.140 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -0.237 -9.295 -18.279 1.00 2.86 H new ATOM 0 HE21 GLN A 92 0.106 -7.622 -21.349 1.00 4.43 H new ATOM 0 HE22 GLN A 92 0.960 -8.922 -22.188 1.00 4.43 H new ATOM 1432 N ALA A 93 -2.094 -7.457 -16.420 1.00 0.01 N ATOM 1433 CA ALA A 93 -1.887 -6.079 -15.890 1.00 0.01 C ATOM 1434 C ALA A 93 -0.703 -5.435 -16.617 1.00 0.01 C ATOM 1435 O ALA A 93 0.357 -6.017 -16.736 1.00 0.01 O ATOM 1436 CB ALA A 93 -1.587 -6.145 -14.392 1.00 2.99 C ATOM 0 H ALA A 93 -1.750 -8.209 -15.823 1.00 0.01 H new ATOM 0 HA ALA A 93 -2.787 -5.486 -16.052 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -1.436 -5.137 -14.006 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -2.425 -6.610 -13.873 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -0.686 -6.735 -14.227 1.00 2.99 H new ATOM 1442 N LYS A 94 -0.886 -4.240 -17.113 1.00 0.00 N ATOM 1443 CA LYS A 94 0.207 -3.530 -17.852 1.00 0.01 C ATOM 1444 C LYS A 94 0.359 -2.120 -17.274 1.00 0.01 C ATOM 1445 O LYS A 94 -0.617 -1.464 -16.968 1.00 0.01 O ATOM 1446 CB LYS A 94 -0.202 -3.456 -19.327 1.00 2.49 C ATOM 1447 CG LYS A 94 0.800 -2.596 -20.106 1.00 3.43 C ATOM 1448 CD LYS A 94 0.532 -2.718 -21.620 1.00 4.11 C ATOM 1449 CE LYS A 94 1.297 -3.916 -22.203 1.00 5.23 C ATOM 1450 NZ LYS A 94 2.707 -3.518 -22.478 1.00 6.36 N ATOM 0 H LYS A 94 -1.758 -3.716 -17.038 1.00 0.00 H new ATOM 0 HA LYS A 94 1.158 -4.055 -17.755 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -0.242 -4.459 -19.753 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -1.203 -3.033 -19.415 1.00 2.49 H new ATOM 0 HG2 LYS A 94 0.716 -1.554 -19.796 1.00 3.43 H new ATOM 0 HG3 LYS A 94 1.818 -2.915 -19.881 1.00 3.43 H new ATOM 0 HD2 LYS A 94 -0.537 -2.839 -21.798 1.00 4.11 H new ATOM 0 HD3 LYS A 94 0.838 -1.802 -22.125 1.00 4.11 H new ATOM 0 HE2 LYS A 94 1.273 -4.752 -21.504 1.00 5.23 H new ATOM 0 HE3 LYS A 94 0.818 -4.255 -23.121 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 3.203 -4.301 -22.950 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 2.717 -2.680 -23.094 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 3.186 -3.295 -21.582 1.00 6.36 H new ATOM 1464 N ILE A 95 1.579 -1.652 -17.104 1.00 0.00 N ATOM 1465 CA ILE A 95 1.794 -0.282 -16.526 1.00 0.01 C ATOM 1466 C ILE A 95 2.752 0.516 -17.418 1.00 0.01 C ATOM 1467 O ILE A 95 3.714 -0.005 -17.954 1.00 0.01 O ATOM 1468 CB ILE A 95 2.390 -0.424 -15.120 1.00 0.34 C ATOM 1469 CG1 ILE A 95 2.834 0.946 -14.597 1.00 0.30 C ATOM 1470 CG2 ILE A 95 3.596 -1.362 -15.163 1.00 0.36 C ATOM 1471 CD1 ILE A 95 3.128 0.853 -13.097 1.00 1.09 C ATOM 0 H ILE A 95 2.432 -2.159 -17.340 1.00 0.00 H new ATOM 0 HA ILE A 95 0.843 0.247 -16.472 1.00 0.01 H new ATOM 0 HB ILE A 95 1.630 -0.835 -14.455 1.00 0.34 H new ATOM 0 HG12 ILE A 95 3.723 1.280 -15.132 1.00 0.30 H new ATOM 0 HG13 ILE A 95 2.055 1.686 -14.780 1.00 0.30 H new ATOM 0 HG21 ILE A 95 4.016 -1.460 -14.162 1.00 0.36 H new ATOM 0 HG22 ILE A 95 3.282 -2.342 -15.522 1.00 0.36 H new ATOM 0 HG23 ILE A 95 4.351 -0.954 -15.835 1.00 0.36 H new ATOM 0 HD11 ILE A 95 3.444 1.828 -12.727 1.00 1.09 H new ATOM 0 HD12 ILE A 95 2.228 0.538 -12.569 1.00 1.09 H new ATOM 0 HD13 ILE A 95 3.922 0.126 -12.926 1.00 1.09 H new ATOM 1483 N GLN A 96 2.516 1.805 -17.526 1.00 0.01 N ATOM 1484 CA GLN A 96 3.421 2.701 -18.314 1.00 0.01 C ATOM 1485 C GLN A 96 3.931 3.788 -17.361 1.00 0.01 C ATOM 1486 O GLN A 96 3.160 4.370 -16.624 1.00 0.00 O ATOM 1487 CB GLN A 96 2.664 3.336 -19.490 1.00 0.53 C ATOM 1488 CG GLN A 96 1.242 3.699 -19.067 1.00 0.82 C ATOM 1489 CD GLN A 96 0.354 2.451 -19.113 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -0.848 2.539 -18.952 1.00 1.75 O ATOM 1491 NE2 GLN A 96 0.899 1.284 -19.327 1.00 2.05 N ATOM 0 H GLN A 96 1.722 2.279 -17.094 1.00 0.01 H new ATOM 0 HA GLN A 96 4.252 2.131 -18.730 1.00 0.01 H new ATOM 0 HB2 GLN A 96 3.189 4.228 -19.831 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.635 2.643 -20.331 1.00 0.53 H new ATOM 0 HG2 GLN A 96 1.247 4.116 -18.060 1.00 0.82 H new ATOM 0 HG3 GLN A 96 0.841 4.467 -19.728 1.00 0.82 H new ATOM 0 HE21 GLN A 96 1.907 1.209 -19.462 1.00 2.05 H new ATOM 0 HE22 GLN A 96 0.317 0.447 -19.359 1.00 2.05 H new ATOM 1500 N VAL A 97 5.210 4.079 -17.358 1.00 0.01 N ATOM 1501 CA VAL A 97 5.749 5.140 -16.439 1.00 0.01 C ATOM 1502 C VAL A 97 6.460 6.206 -17.268 1.00 0.01 C ATOM 1503 O VAL A 97 7.051 5.919 -18.290 1.00 0.01 O ATOM 1504 CB VAL A 97 6.743 4.513 -15.459 1.00 0.77 C ATOM 1505 CG1 VAL A 97 5.999 3.597 -14.489 1.00 1.10 C ATOM 1506 CG2 VAL A 97 7.778 3.698 -16.240 1.00 1.03 C ATOM 0 H VAL A 97 5.907 3.629 -17.952 1.00 0.01 H new ATOM 0 HA VAL A 97 4.928 5.592 -15.882 1.00 0.01 H new ATOM 0 HB VAL A 97 7.245 5.300 -14.897 1.00 0.77 H new ATOM 0 HG11 VAL A 97 6.709 3.152 -13.792 1.00 1.10 H new ATOM 0 HG12 VAL A 97 5.261 4.177 -13.934 1.00 1.10 H new ATOM 0 HG13 VAL A 97 5.495 2.808 -15.047 1.00 1.10 H new ATOM 0 HG21 VAL A 97 8.488 3.250 -15.545 1.00 1.03 H new ATOM 0 HG22 VAL A 97 7.274 2.911 -16.801 1.00 1.03 H new ATOM 0 HG23 VAL A 97 8.310 4.352 -16.931 1.00 1.03 H new ATOM 1516 N PHE A 98 6.381 7.446 -16.839 1.00 0.01 N ATOM 1517 CA PHE A 98 7.025 8.563 -17.603 1.00 0.01 C ATOM 1518 C PHE A 98 8.079 9.277 -16.753 1.00 0.01 C ATOM 1519 O PHE A 98 7.932 9.460 -15.561 1.00 0.01 O ATOM 1520 CB PHE A 98 5.950 9.566 -18.015 1.00 0.25 C ATOM 1521 CG PHE A 98 4.966 8.888 -18.938 1.00 0.36 C ATOM 1522 CD1 PHE A 98 4.032 7.983 -18.420 1.00 0.42 C ATOM 1523 CD2 PHE A 98 4.981 9.168 -20.310 1.00 0.58 C ATOM 1524 CE1 PHE A 98 3.115 7.358 -19.272 1.00 0.56 C ATOM 1525 CE2 PHE A 98 4.063 8.545 -21.163 1.00 0.73 C ATOM 1526 CZ PHE A 98 3.131 7.638 -20.643 1.00 0.69 C ATOM 0 H PHE A 98 5.896 7.732 -15.989 1.00 0.01 H new ATOM 0 HA PHE A 98 7.517 8.145 -18.482 1.00 0.01 H new ATOM 0 HB2 PHE A 98 5.436 9.949 -17.133 1.00 0.25 H new ATOM 0 HB3 PHE A 98 6.406 10.421 -18.514 1.00 0.25 H new ATOM 0 HD1 PHE A 98 4.019 7.767 -17.362 1.00 0.42 H new ATOM 0 HD2 PHE A 98 5.702 9.866 -20.710 1.00 0.58 H new ATOM 0 HE1 PHE A 98 2.395 6.660 -18.872 1.00 0.56 H new ATOM 0 HE2 PHE A 98 4.073 8.763 -22.221 1.00 0.73 H new ATOM 0 HZ PHE A 98 2.424 7.154 -21.301 1.00 0.69 H new ATOM 1536 N GLU A 99 9.161 9.640 -17.382 1.00 0.01 N ATOM 1537 CA GLU A 99 10.278 10.307 -16.652 1.00 0.01 C ATOM 1538 C GLU A 99 9.860 11.687 -16.124 1.00 0.01 C ATOM 1539 O GLU A 99 10.376 12.144 -15.123 1.00 0.01 O ATOM 1540 CB GLU A 99 11.475 10.475 -17.591 1.00 0.01 C ATOM 1541 CG GLU A 99 12.665 11.028 -16.804 1.00 0.01 C ATOM 1542 CD GLU A 99 13.920 10.984 -17.678 1.00 0.01 C ATOM 1543 OE1 GLU A 99 14.271 9.902 -18.121 1.00 0.01 O ATOM 1544 OE2 GLU A 99 14.507 12.031 -17.890 1.00 0.02 O ATOM 0 H GLU A 99 9.322 9.502 -18.380 1.00 0.01 H new ATOM 0 HA GLU A 99 10.545 9.679 -15.802 1.00 0.01 H new ATOM 0 HB2 GLU A 99 11.736 9.517 -18.040 1.00 0.01 H new ATOM 0 HB3 GLU A 99 11.219 11.151 -18.407 1.00 0.01 H new ATOM 0 HG2 GLU A 99 12.463 12.052 -16.491 1.00 0.01 H new ATOM 0 HG3 GLU A 99 12.819 10.442 -15.898 1.00 0.01 H new ATOM 1551 N LYS A 100 8.943 12.361 -16.785 1.00 0.01 N ATOM 1552 CA LYS A 100 8.509 13.724 -16.317 1.00 0.01 C ATOM 1553 C LYS A 100 7.030 13.708 -15.917 1.00 0.01 C ATOM 1554 O LYS A 100 6.321 12.749 -16.142 1.00 0.01 O ATOM 1555 CB LYS A 100 8.713 14.744 -17.443 1.00 0.94 C ATOM 1556 CG LYS A 100 10.182 14.753 -17.892 1.00 1.63 C ATOM 1557 CD LYS A 100 11.029 15.596 -16.930 1.00 2.19 C ATOM 1558 CE LYS A 100 12.442 15.738 -17.495 1.00 2.84 C ATOM 1559 NZ LYS A 100 12.893 14.425 -18.039 1.00 3.18 N ATOM 0 H LYS A 100 8.476 12.027 -17.628 1.00 0.01 H new ATOM 0 HA LYS A 100 9.110 14.001 -15.451 1.00 0.01 H new ATOM 0 HB2 LYS A 100 8.069 14.498 -18.287 1.00 0.94 H new ATOM 0 HB3 LYS A 100 8.424 15.737 -17.100 1.00 0.94 H new ATOM 0 HG2 LYS A 100 10.565 13.733 -17.926 1.00 1.63 H new ATOM 0 HG3 LYS A 100 10.258 15.156 -18.902 1.00 1.63 H new ATOM 0 HD2 LYS A 100 10.578 16.579 -16.796 1.00 2.19 H new ATOM 0 HD3 LYS A 100 11.063 15.124 -15.948 1.00 2.19 H new ATOM 0 HE2 LYS A 100 12.457 16.494 -18.280 1.00 2.84 H new ATOM 0 HE3 LYS A 100 13.125 16.075 -16.715 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 13.931 14.370 -17.998 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 12.483 13.655 -17.472 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 12.580 14.332 -19.027 1.00 3.18 H new ATOM 1573 N GLY A 101 6.573 14.770 -15.307 1.00 0.01 N ATOM 1574 CA GLY A 101 5.149 14.844 -14.860 1.00 0.01 C ATOM 1575 C GLY A 101 4.204 14.980 -16.059 1.00 0.00 C ATOM 1576 O GLY A 101 4.606 15.298 -17.160 1.00 0.01 O ATOM 0 H GLY A 101 7.131 15.598 -15.097 1.00 0.01 H new ATOM 0 HA2 GLY A 101 4.895 13.949 -14.292 1.00 0.01 H new ATOM 0 HA3 GLY A 101 5.018 15.694 -14.191 1.00 0.01 H new ATOM 1580 N ASP A 102 2.935 14.760 -15.824 1.00 0.01 N ATOM 1581 CA ASP A 102 1.910 14.888 -16.902 1.00 0.00 C ATOM 1582 C ASP A 102 2.230 13.973 -18.087 1.00 0.00 C ATOM 1583 O ASP A 102 2.010 14.313 -19.232 1.00 0.01 O ATOM 1584 CB ASP A 102 1.851 16.343 -17.376 1.00 0.01 C ATOM 1585 CG ASP A 102 0.561 16.575 -18.162 1.00 0.01 C ATOM 1586 OD1 ASP A 102 0.095 15.639 -18.790 1.00 0.01 O ATOM 1587 OD2 ASP A 102 0.058 17.687 -18.122 1.00 0.01 O ATOM 0 H ASP A 102 2.561 14.492 -14.914 1.00 0.01 H new ATOM 0 HA ASP A 102 0.945 14.588 -16.495 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.893 17.017 -16.520 1.00 0.01 H new ATOM 0 HB3 ASP A 102 2.715 16.568 -18.001 1.00 0.01 H new ATOM 1592 N PHE A 103 2.715 12.798 -17.805 1.00 0.01 N ATOM 1593 CA PHE A 103 3.019 11.820 -18.888 1.00 0.01 C ATOM 1594 C PHE A 103 3.903 12.446 -19.970 1.00 0.00 C ATOM 1595 O PHE A 103 3.583 12.402 -21.141 1.00 0.01 O ATOM 1596 CB PHE A 103 1.707 11.340 -19.518 1.00 0.01 C ATOM 1597 CG PHE A 103 0.667 11.150 -18.437 1.00 0.00 C ATOM 1598 CD1 PHE A 103 0.852 10.169 -17.456 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -0.482 11.953 -18.416 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -0.111 9.990 -16.454 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -1.443 11.773 -17.415 1.00 0.01 C ATOM 1602 CZ PHE A 103 -1.258 10.792 -16.433 1.00 0.01 C ATOM 0 H PHE A 103 2.916 12.469 -16.861 1.00 0.01 H new ATOM 0 HA PHE A 103 3.558 10.980 -18.451 1.00 0.01 H new ATOM 0 HB2 PHE A 103 1.356 12.067 -20.251 1.00 0.01 H new ATOM 0 HB3 PHE A 103 1.869 10.403 -20.050 1.00 0.01 H new ATOM 0 HD1 PHE A 103 1.737 9.550 -17.471 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -0.625 12.710 -19.172 1.00 0.01 H new ATOM 0 HE1 PHE A 103 0.032 9.233 -15.697 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -2.328 12.391 -17.400 1.00 0.01 H new ATOM 0 HZ PHE A 103 -2.000 10.654 -15.660 1.00 0.01 H new ATOM 1612 N ASN A 104 5.026 13.001 -19.591 1.00 0.00 N ATOM 1613 CA ASN A 104 5.965 13.606 -20.588 1.00 0.01 C ATOM 1614 C ASN A 104 7.364 13.045 -20.327 1.00 0.01 C ATOM 1615 O ASN A 104 7.611 12.431 -19.307 1.00 0.01 O ATOM 1616 CB ASN A 104 5.989 15.129 -20.423 1.00 1.68 C ATOM 1617 CG ASN A 104 4.605 15.698 -20.733 1.00 2.31 C ATOM 1618 OD1 ASN A 104 4.099 16.527 -20.003 1.00 3.15 O ATOM 1619 ND2 ASN A 104 3.966 15.284 -21.791 1.00 2.38 N ATOM 0 H ASN A 104 5.337 13.062 -18.622 1.00 0.00 H new ATOM 0 HA ASN A 104 5.640 13.367 -21.601 1.00 0.01 H new ATOM 0 HB2 ASN A 104 6.282 15.391 -19.406 1.00 1.68 H new ATOM 0 HB3 ASN A 104 6.731 15.566 -21.091 1.00 1.68 H new ATOM 0 HD21 ASN A 104 3.041 15.656 -22.006 1.00 2.38 H new ATOM 0 HD22 ASN A 104 4.391 14.588 -22.404 1.00 2.38 H new ATOM 1626 N GLY A 105 8.283 13.225 -21.241 1.00 0.01 N ATOM 1627 CA GLY A 105 9.662 12.684 -21.035 1.00 0.01 C ATOM 1628 C GLY A 105 9.750 11.289 -21.653 1.00 0.01 C ATOM 1629 O GLY A 105 8.891 10.887 -22.412 1.00 0.01 O ATOM 0 H GLY A 105 8.139 13.722 -22.120 1.00 0.01 H new ATOM 0 HA2 GLY A 105 10.398 13.345 -21.493 1.00 0.01 H new ATOM 0 HA3 GLY A 105 9.893 12.639 -19.971 1.00 0.01 H new ATOM 1633 N GLN A 106 10.762 10.535 -21.324 1.00 0.01 N ATOM 1634 CA GLN A 106 10.868 9.163 -21.889 1.00 0.01 C ATOM 1635 C GLN A 106 9.856 8.268 -21.174 1.00 0.01 C ATOM 1636 O GLN A 106 9.600 8.417 -19.995 1.00 0.01 O ATOM 1637 CB GLN A 106 12.284 8.625 -21.662 1.00 0.01 C ATOM 1638 CG GLN A 106 12.502 7.383 -22.530 1.00 0.01 C ATOM 1639 CD GLN A 106 12.685 7.802 -23.989 1.00 0.01 C ATOM 1640 OE1 GLN A 106 12.876 6.968 -24.852 1.00 0.01 O ATOM 1641 NE2 GLN A 106 12.636 9.069 -24.307 1.00 0.01 N ATOM 0 H GLN A 106 11.515 10.808 -20.693 1.00 0.01 H new ATOM 0 HA GLN A 106 10.663 9.179 -22.959 1.00 0.01 H new ATOM 0 HB2 GLN A 106 13.020 9.390 -21.911 1.00 0.01 H new ATOM 0 HB3 GLN A 106 12.426 8.377 -20.610 1.00 0.01 H new ATOM 0 HG2 GLN A 106 13.380 6.836 -22.186 1.00 0.01 H new ATOM 0 HG3 GLN A 106 11.650 6.709 -22.439 1.00 0.01 H new ATOM 0 HE21 GLN A 106 12.476 9.770 -23.584 1.00 0.01 H new ATOM 0 HE22 GLN A 106 12.758 9.356 -25.278 1.00 0.01 H new ATOM 1650 N MET A 107 9.268 7.344 -21.895 1.00 0.01 N ATOM 1651 CA MET A 107 8.250 6.428 -21.291 1.00 0.01 C ATOM 1652 C MET A 107 8.741 4.982 -21.352 1.00 0.01 C ATOM 1653 O MET A 107 9.343 4.553 -22.316 1.00 0.01 O ATOM 1654 CB MET A 107 6.940 6.538 -22.083 1.00 0.00 C ATOM 1655 CG MET A 107 5.849 5.682 -21.426 1.00 0.01 C ATOM 1656 SD MET A 107 6.039 3.954 -21.936 1.00 0.01 S ATOM 1657 CE MET A 107 4.854 3.980 -23.305 1.00 0.01 C ATOM 0 H MET A 107 9.452 7.184 -22.885 1.00 0.01 H new ATOM 0 HA MET A 107 8.090 6.712 -20.251 1.00 0.01 H new ATOM 0 HB2 MET A 107 6.619 7.579 -22.126 1.00 0.00 H new ATOM 0 HB3 MET A 107 7.099 6.211 -23.110 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.916 5.760 -20.341 1.00 0.01 H new ATOM 0 HG3 MET A 107 4.863 6.049 -21.712 1.00 0.01 H new ATOM 0 HE1 MET A 107 4.813 2.995 -23.770 1.00 0.01 H new ATOM 0 HE2 MET A 107 3.867 4.244 -22.926 1.00 0.01 H new ATOM 0 HE3 MET A 107 5.168 4.717 -24.044 1.00 0.01 H new ATOM 1667 N TYR A 108 8.451 4.223 -20.329 1.00 0.01 N ATOM 1668 CA TYR A 108 8.844 2.781 -20.287 1.00 0.00 C ATOM 1669 C TYR A 108 7.601 1.974 -19.893 1.00 0.01 C ATOM 1670 O TYR A 108 6.853 2.349 -19.011 1.00 0.01 O ATOM 1671 CB TYR A 108 9.951 2.575 -19.244 1.00 0.54 C ATOM 1672 CG TYR A 108 11.288 2.955 -19.837 1.00 0.60 C ATOM 1673 CD1 TYR A 108 12.053 1.995 -20.509 1.00 1.24 C ATOM 1674 CD2 TYR A 108 11.761 4.268 -19.716 1.00 0.93 C ATOM 1675 CE1 TYR A 108 13.290 2.347 -21.061 1.00 1.76 C ATOM 1676 CE2 TYR A 108 12.999 4.620 -20.268 1.00 1.51 C ATOM 1677 CZ TYR A 108 13.763 3.659 -20.941 1.00 1.82 C ATOM 1678 OH TYR A 108 14.983 4.004 -21.485 1.00 2.48 O ATOM 0 H TYR A 108 7.948 4.547 -19.503 1.00 0.01 H new ATOM 0 HA TYR A 108 9.220 2.456 -21.257 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.749 3.181 -18.361 1.00 0.54 H new ATOM 0 HB3 TYR A 108 9.969 1.535 -18.919 1.00 0.54 H new ATOM 0 HD1 TYR A 108 11.689 0.982 -20.602 1.00 1.24 H new ATOM 0 HD2 TYR A 108 11.171 5.009 -19.197 1.00 0.93 H new ATOM 0 HE1 TYR A 108 13.880 1.606 -21.580 1.00 1.76 H new ATOM 0 HE2 TYR A 108 13.364 5.632 -20.175 1.00 1.51 H new ATOM 0 HH TYR A 108 15.161 4.952 -21.314 1.00 2.48 H new ATOM 1688 N GLU A 109 7.360 0.885 -20.579 1.00 0.01 N ATOM 1689 CA GLU A 109 6.146 0.045 -20.307 1.00 0.01 C ATOM 1690 C GLU A 109 6.564 -1.364 -19.895 1.00 0.01 C ATOM 1691 O GLU A 109 7.442 -1.958 -20.489 1.00 0.01 O ATOM 1692 CB GLU A 109 5.314 -0.009 -21.591 1.00 0.01 C ATOM 1693 CG GLU A 109 3.966 -0.678 -21.312 1.00 0.01 C ATOM 1694 CD GLU A 109 3.011 -0.400 -22.473 1.00 0.00 C ATOM 1695 OE1 GLU A 109 3.252 -0.919 -23.549 1.00 0.00 O ATOM 1696 OE2 GLU A 109 2.054 0.328 -22.266 1.00 0.00 O ATOM 0 H GLU A 109 7.959 0.535 -21.327 1.00 0.01 H new ATOM 0 HA GLU A 109 5.562 0.477 -19.494 1.00 0.01 H new ATOM 0 HB2 GLU A 109 5.157 0.999 -21.975 1.00 0.01 H new ATOM 0 HB3 GLU A 109 5.852 -0.563 -22.360 1.00 0.01 H new ATOM 0 HG2 GLU A 109 4.100 -1.752 -21.186 1.00 0.01 H new ATOM 0 HG3 GLU A 109 3.545 -0.298 -20.381 1.00 0.01 H new ATOM 1703 N THR A 110 5.948 -1.908 -18.871 1.00 0.01 N ATOM 1704 CA THR A 110 6.330 -3.281 -18.429 1.00 0.00 C ATOM 1705 C THR A 110 5.143 -4.012 -17.793 1.00 0.01 C ATOM 1706 O THR A 110 4.217 -3.420 -17.263 1.00 0.01 O ATOM 1707 CB THR A 110 7.468 -3.195 -17.409 1.00 1.21 C ATOM 1708 OG1 THR A 110 7.717 -4.486 -16.870 1.00 1.65 O ATOM 1709 CG2 THR A 110 7.079 -2.235 -16.285 1.00 1.69 C ATOM 0 H THR A 110 5.206 -1.464 -18.330 1.00 0.01 H new ATOM 0 HA THR A 110 6.651 -3.840 -19.308 1.00 0.00 H new ATOM 0 HB THR A 110 8.369 -2.826 -17.900 1.00 1.21 H new ATOM 0 HG1 THR A 110 8.447 -4.433 -16.218 1.00 1.65 H new ATOM 0 HG21 THR A 110 7.891 -2.176 -15.560 1.00 1.69 H new ATOM 0 HG22 THR A 110 6.891 -1.245 -16.701 1.00 1.69 H new ATOM 0 HG23 THR A 110 6.178 -2.599 -15.791 1.00 1.69 H new ATOM 1717 N THR A 111 5.180 -5.314 -17.878 1.00 0.00 N ATOM 1718 CA THR A 111 4.091 -6.171 -17.316 1.00 0.01 C ATOM 1719 C THR A 111 4.619 -6.942 -16.101 1.00 0.01 C ATOM 1720 O THR A 111 3.973 -7.846 -15.610 1.00 0.01 O ATOM 1721 CB THR A 111 3.630 -7.166 -18.384 1.00 0.01 C ATOM 1722 OG1 THR A 111 4.486 -8.300 -18.372 1.00 0.01 O ATOM 1723 CG2 THR A 111 3.680 -6.501 -19.760 1.00 0.01 C ATOM 0 H THR A 111 5.936 -5.833 -18.324 1.00 0.00 H new ATOM 0 HA THR A 111 3.254 -5.542 -17.011 1.00 0.01 H new ATOM 0 HB THR A 111 2.608 -7.479 -18.172 1.00 0.01 H new ATOM 0 HG1 THR A 111 4.325 -8.823 -17.559 1.00 0.01 H new ATOM 0 HG21 THR A 111 3.352 -7.211 -20.519 1.00 0.01 H new ATOM 0 HG22 THR A 111 3.023 -5.631 -19.768 1.00 0.01 H new ATOM 0 HG23 THR A 111 4.701 -6.186 -19.975 1.00 0.01 H new ATOM 1731 N GLU A 112 5.805 -6.615 -15.636 1.00 0.01 N ATOM 1732 CA GLU A 112 6.400 -7.356 -14.471 1.00 0.01 C ATOM 1733 C GLU A 112 6.703 -6.410 -13.305 1.00 0.01 C ATOM 1734 O GLU A 112 6.776 -5.207 -13.463 1.00 0.01 O ATOM 1735 CB GLU A 112 7.705 -8.016 -14.923 1.00 0.85 C ATOM 1736 CG GLU A 112 7.446 -8.852 -16.179 1.00 1.61 C ATOM 1737 CD GLU A 112 6.422 -9.945 -15.864 1.00 2.51 C ATOM 1738 OE1 GLU A 112 6.768 -10.861 -15.133 1.00 3.07 O ATOM 1739 OE2 GLU A 112 5.312 -9.850 -16.359 1.00 3.21 O ATOM 0 H GLU A 112 6.387 -5.867 -16.013 1.00 0.01 H new ATOM 0 HA GLU A 112 5.681 -8.102 -14.132 1.00 0.01 H new ATOM 0 HB2 GLU A 112 8.458 -7.255 -15.129 1.00 0.85 H new ATOM 0 HB3 GLU A 112 8.100 -8.648 -14.128 1.00 0.85 H new ATOM 0 HG2 GLU A 112 7.078 -8.215 -16.983 1.00 1.61 H new ATOM 0 HG3 GLU A 112 8.376 -9.300 -16.528 1.00 1.61 H new ATOM 1746 N ASP A 113 6.909 -6.963 -12.139 1.00 0.01 N ATOM 1747 CA ASP A 113 7.242 -6.132 -10.945 1.00 0.01 C ATOM 1748 C ASP A 113 8.621 -5.506 -11.164 1.00 0.00 C ATOM 1749 O ASP A 113 9.445 -6.040 -11.878 1.00 0.01 O ATOM 1750 CB ASP A 113 7.290 -7.030 -9.708 1.00 0.01 C ATOM 1751 CG ASP A 113 5.865 -7.393 -9.287 1.00 0.01 C ATOM 1752 OD1 ASP A 113 5.101 -7.798 -10.147 1.00 0.00 O ATOM 1753 OD2 ASP A 113 5.562 -7.261 -8.113 1.00 0.00 O ATOM 0 H ASP A 113 6.860 -7.966 -11.961 1.00 0.01 H new ATOM 0 HA ASP A 113 6.491 -5.354 -10.803 1.00 0.01 H new ATOM 0 HB2 ASP A 113 7.859 -7.935 -9.924 1.00 0.01 H new ATOM 0 HB3 ASP A 113 7.802 -6.518 -8.893 1.00 0.01 H new ATOM 1758 N CYS A 114 8.887 -4.391 -10.521 1.00 0.01 N ATOM 1759 CA CYS A 114 10.228 -3.733 -10.649 1.00 0.01 C ATOM 1760 C CYS A 114 10.825 -3.546 -9.236 1.00 0.01 C ATOM 1761 O CYS A 114 10.317 -2.743 -8.474 1.00 0.01 O ATOM 1762 CB CYS A 114 10.044 -2.354 -11.282 1.00 0.01 C ATOM 1763 SG CYS A 114 11.623 -1.470 -11.268 1.00 0.01 S ATOM 0 H CYS A 114 8.229 -3.907 -9.910 1.00 0.01 H new ATOM 0 HA CYS A 114 10.887 -4.346 -11.263 1.00 0.01 H new ATOM 0 HB2 CYS A 114 9.681 -2.457 -12.305 1.00 0.01 H new ATOM 0 HB3 CYS A 114 9.292 -1.787 -10.733 1.00 0.01 H new ATOM 0 HG CYS A 114 12.103 -1.420 -12.475 1.00 0.01 H new ATOM 1769 N PRO A 115 11.891 -4.246 -8.868 1.00 0.01 N ATOM 1770 CA PRO A 115 12.486 -4.058 -7.511 1.00 0.01 C ATOM 1771 C PRO A 115 13.310 -2.767 -7.422 1.00 0.01 C ATOM 1772 O PRO A 115 13.393 -2.154 -6.375 1.00 0.01 O ATOM 1773 CB PRO A 115 13.376 -5.306 -7.372 1.00 0.01 C ATOM 1774 CG PRO A 115 13.621 -5.866 -8.784 1.00 0.01 C ATOM 1775 CD PRO A 115 12.566 -5.261 -9.732 1.00 0.01 C ATOM 0 HA PRO A 115 11.741 -3.959 -6.721 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.321 -5.050 -6.893 1.00 0.01 H new ATOM 0 HB3 PRO A 115 12.892 -6.053 -6.743 1.00 0.01 H new ATOM 0 HG2 PRO A 115 14.626 -5.615 -9.124 1.00 0.01 H new ATOM 0 HG3 PRO A 115 13.549 -6.954 -8.779 1.00 0.01 H new ATOM 0 HD2 PRO A 115 13.024 -4.805 -10.610 1.00 0.01 H new ATOM 0 HD3 PRO A 115 11.866 -6.015 -10.093 1.00 0.01 H new ATOM 1783 N SER A 116 13.931 -2.357 -8.499 1.00 0.01 N ATOM 1784 CA SER A 116 14.758 -1.110 -8.469 1.00 0.02 C ATOM 1785 C SER A 116 14.544 -0.337 -9.771 1.00 0.01 C ATOM 1786 O SER A 116 14.970 -0.744 -10.835 1.00 0.00 O ATOM 1787 CB SER A 116 16.234 -1.483 -8.325 1.00 0.01 C ATOM 1788 OG SER A 116 16.451 -2.057 -7.042 1.00 0.01 O ATOM 0 H SER A 116 13.901 -2.833 -9.401 1.00 0.01 H new ATOM 0 HA SER A 116 14.462 -0.489 -7.624 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.520 -2.189 -9.105 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.858 -0.598 -8.451 1.00 0.01 H new ATOM 0 HG SER A 116 17.396 -2.299 -6.947 1.00 0.01 H new ATOM 1794 N ILE A 117 13.852 0.764 -9.682 1.00 0.01 N ATOM 1795 CA ILE A 117 13.553 1.583 -10.891 1.00 0.01 C ATOM 1796 C ILE A 117 14.846 2.136 -11.500 1.00 0.01 C ATOM 1797 O ILE A 117 14.982 2.200 -12.705 1.00 0.00 O ATOM 1798 CB ILE A 117 12.608 2.732 -10.469 1.00 0.57 C ATOM 1799 CG1 ILE A 117 11.152 2.253 -10.552 1.00 1.44 C ATOM 1800 CG2 ILE A 117 12.780 3.964 -11.368 1.00 0.93 C ATOM 1801 CD1 ILE A 117 10.249 3.204 -9.767 1.00 1.83 C ATOM 0 H ILE A 117 13.475 1.137 -8.811 1.00 0.01 H new ATOM 0 HA ILE A 117 13.073 0.968 -11.652 1.00 0.01 H new ATOM 0 HB ILE A 117 12.860 3.015 -9.447 1.00 0.57 H new ATOM 0 HG12 ILE A 117 10.832 2.210 -11.593 1.00 1.44 H new ATOM 0 HG13 ILE A 117 11.068 1.243 -10.151 1.00 1.44 H new ATOM 0 HG21 ILE A 117 12.100 4.751 -11.041 1.00 0.93 H new ATOM 0 HG22 ILE A 117 13.807 4.322 -11.302 1.00 0.93 H new ATOM 0 HG23 ILE A 117 12.555 3.695 -12.400 1.00 0.93 H new ATOM 0 HD11 ILE A 117 9.217 2.860 -9.829 1.00 1.83 H new ATOM 0 HD12 ILE A 117 10.562 3.225 -8.723 1.00 1.83 H new ATOM 0 HD13 ILE A 117 10.323 4.207 -10.188 1.00 1.83 H new ATOM 1813 N MET A 118 15.774 2.570 -10.692 1.00 0.02 N ATOM 1814 CA MET A 118 17.018 3.149 -11.267 1.00 0.01 C ATOM 1815 C MET A 118 17.813 2.067 -11.989 1.00 0.01 C ATOM 1816 O MET A 118 18.393 2.309 -13.023 1.00 0.02 O ATOM 1817 CB MET A 118 17.874 3.780 -10.161 1.00 0.24 C ATOM 1818 CG MET A 118 19.084 4.494 -10.776 1.00 0.63 C ATOM 1819 SD MET A 118 20.371 3.282 -11.157 1.00 1.20 S ATOM 1820 CE MET A 118 21.187 3.303 -9.543 1.00 1.34 C ATOM 0 H MET A 118 15.726 2.549 -9.673 1.00 0.02 H new ATOM 0 HA MET A 118 16.744 3.925 -11.982 1.00 0.01 H new ATOM 0 HB2 MET A 118 17.277 4.488 -9.587 1.00 0.24 H new ATOM 0 HB3 MET A 118 18.210 3.010 -9.466 1.00 0.24 H new ATOM 0 HG2 MET A 118 18.786 5.021 -11.682 1.00 0.63 H new ATOM 0 HG3 MET A 118 19.468 5.243 -10.083 1.00 0.63 H new ATOM 0 HE1 MET A 118 22.030 2.612 -9.552 1.00 1.34 H new ATOM 0 HE2 MET A 118 21.546 4.310 -9.330 1.00 1.34 H new ATOM 0 HE3 MET A 118 20.478 3.000 -8.773 1.00 1.34 H new ATOM 1830 N GLU A 119 17.849 0.876 -11.478 1.00 0.01 N ATOM 1831 CA GLU A 119 18.619 -0.185 -12.176 1.00 0.02 C ATOM 1832 C GLU A 119 17.903 -0.562 -13.474 1.00 0.02 C ATOM 1833 O GLU A 119 18.526 -0.863 -14.474 1.00 0.01 O ATOM 1834 CB GLU A 119 18.719 -1.416 -11.268 1.00 0.30 C ATOM 1835 CG GLU A 119 19.754 -2.401 -11.825 1.00 0.99 C ATOM 1836 CD GLU A 119 19.193 -3.089 -13.071 1.00 1.69 C ATOM 1837 OE1 GLU A 119 18.030 -3.458 -13.047 1.00 2.11 O ATOM 1838 OE2 GLU A 119 19.935 -3.236 -14.028 1.00 2.07 O ATOM 0 H GLU A 119 17.385 0.590 -10.616 1.00 0.01 H new ATOM 0 HA GLU A 119 19.620 0.179 -12.408 1.00 0.02 H new ATOM 0 HB2 GLU A 119 19.001 -1.112 -10.260 1.00 0.30 H new ATOM 0 HB3 GLU A 119 17.746 -1.902 -11.194 1.00 0.30 H new ATOM 0 HG2 GLU A 119 20.675 -1.874 -12.073 1.00 0.99 H new ATOM 0 HG3 GLU A 119 20.006 -3.145 -11.069 1.00 0.99 H new ATOM 1845 N GLN A 120 16.597 -0.608 -13.449 1.00 0.00 N ATOM 1846 CA GLN A 120 15.834 -1.032 -14.660 1.00 0.01 C ATOM 1847 C GLN A 120 15.675 0.102 -15.677 1.00 0.01 C ATOM 1848 O GLN A 120 15.842 -0.098 -16.865 1.00 0.01 O ATOM 1849 CB GLN A 120 14.446 -1.503 -14.224 1.00 0.52 C ATOM 1850 CG GLN A 120 13.743 -2.188 -15.397 1.00 1.07 C ATOM 1851 CD GLN A 120 12.383 -2.715 -14.935 1.00 1.08 C ATOM 1852 OE1 GLN A 120 11.666 -2.036 -14.228 1.00 0.98 O ATOM 1853 NE2 GLN A 120 11.995 -3.904 -15.308 1.00 2.08 N ATOM 0 H GLN A 120 16.024 -0.369 -12.640 1.00 0.00 H new ATOM 0 HA GLN A 120 16.393 -1.833 -15.143 1.00 0.01 H new ATOM 0 HB2 GLN A 120 14.532 -2.194 -13.385 1.00 0.52 H new ATOM 0 HB3 GLN A 120 13.855 -0.655 -13.878 1.00 0.52 H new ATOM 0 HG2 GLN A 120 13.613 -1.484 -16.219 1.00 1.07 H new ATOM 0 HG3 GLN A 120 14.355 -3.008 -15.774 1.00 1.07 H new ATOM 0 HE21 GLN A 120 12.597 -4.474 -15.902 1.00 2.08 H new ATOM 0 HE22 GLN A 120 11.089 -4.263 -15.006 1.00 2.08 H new ATOM 1862 N PHE A 121 15.281 1.271 -15.230 1.00 0.02 N ATOM 1863 CA PHE A 121 15.020 2.403 -16.181 1.00 0.01 C ATOM 1864 C PHE A 121 16.053 3.524 -16.057 1.00 0.01 C ATOM 1865 O PHE A 121 15.996 4.499 -16.780 1.00 0.01 O ATOM 1866 CB PHE A 121 13.632 2.970 -15.881 1.00 0.01 C ATOM 1867 CG PHE A 121 12.608 1.857 -15.954 1.00 0.01 C ATOM 1868 CD1 PHE A 121 12.366 1.211 -17.173 1.00 0.01 C ATOM 1869 CD2 PHE A 121 11.902 1.471 -14.807 1.00 0.01 C ATOM 1870 CE1 PHE A 121 11.419 0.180 -17.243 1.00 0.01 C ATOM 1871 CE2 PHE A 121 10.955 0.442 -14.878 1.00 0.01 C ATOM 1872 CZ PHE A 121 10.714 -0.204 -16.095 1.00 0.01 C ATOM 0 H PHE A 121 15.128 1.492 -14.246 1.00 0.02 H new ATOM 0 HA PHE A 121 15.085 2.013 -17.197 1.00 0.01 H new ATOM 0 HB2 PHE A 121 13.620 3.426 -14.891 1.00 0.01 H new ATOM 0 HB3 PHE A 121 13.385 3.754 -16.597 1.00 0.01 H new ATOM 0 HD1 PHE A 121 12.909 1.507 -18.058 1.00 0.01 H new ATOM 0 HD2 PHE A 121 12.089 1.968 -13.866 1.00 0.01 H new ATOM 0 HE1 PHE A 121 11.233 -0.319 -18.183 1.00 0.01 H new ATOM 0 HE2 PHE A 121 10.411 0.147 -13.993 1.00 0.01 H new ATOM 0 HZ PHE A 121 9.985 -0.999 -16.150 1.00 0.01 H new ATOM 1882 N HIS A 122 16.990 3.416 -15.158 1.00 0.01 N ATOM 1883 CA HIS A 122 18.000 4.501 -15.010 1.00 0.01 C ATOM 1884 C HIS A 122 17.294 5.806 -14.624 1.00 0.01 C ATOM 1885 O HIS A 122 17.702 6.881 -15.018 1.00 0.02 O ATOM 1886 CB HIS A 122 18.757 4.670 -16.335 1.00 0.01 C ATOM 1887 CG HIS A 122 18.961 3.323 -16.967 1.00 0.01 C ATOM 1888 ND1 HIS A 122 18.112 2.830 -17.946 1.00 0.01 N ATOM 1889 CD2 HIS A 122 19.908 2.350 -16.768 1.00 0.01 C ATOM 1890 CE1 HIS A 122 18.560 1.611 -18.296 1.00 0.00 C ATOM 1891 NE2 HIS A 122 19.653 1.269 -17.609 1.00 0.01 N ATOM 0 H HIS A 122 17.101 2.627 -14.521 1.00 0.01 H new ATOM 0 HA HIS A 122 18.712 4.244 -14.226 1.00 0.01 H new ATOM 0 HB2 HIS A 122 18.195 5.318 -17.008 1.00 0.01 H new ATOM 0 HB3 HIS A 122 19.719 5.151 -16.158 1.00 0.01 H new ATOM 0 HD1 HIS A 122 17.296 3.305 -18.331 1.00 0.01 H new ATOM 0 HD2 HIS A 122 20.726 2.413 -16.066 1.00 0.01 H new ATOM 0 HE1 HIS A 122 18.093 0.985 -19.042 1.00 0.00 H new ATOM 1899 N LEU A 123 16.230 5.716 -13.852 1.00 0.01 N ATOM 1900 CA LEU A 123 15.478 6.947 -13.425 1.00 0.01 C ATOM 1901 C LEU A 123 15.606 7.120 -11.910 1.00 0.02 C ATOM 1902 O LEU A 123 15.494 6.174 -11.157 1.00 0.01 O ATOM 1903 CB LEU A 123 13.998 6.800 -13.793 1.00 0.01 C ATOM 1904 CG LEU A 123 13.859 6.469 -15.281 1.00 0.01 C ATOM 1905 CD1 LEU A 123 12.375 6.318 -15.627 1.00 0.01 C ATOM 1906 CD2 LEU A 123 14.477 7.593 -16.130 1.00 0.01 C ATOM 0 H LEU A 123 15.849 4.839 -13.498 1.00 0.01 H new ATOM 0 HA LEU A 123 15.894 7.818 -13.932 1.00 0.01 H new ATOM 0 HB2 LEU A 123 13.542 6.013 -13.193 1.00 0.01 H new ATOM 0 HB3 LEU A 123 13.465 7.723 -13.566 1.00 0.01 H new ATOM 0 HG LEU A 123 14.383 5.537 -15.494 1.00 0.01 H new ATOM 0 HD11 LEU A 123 12.270 6.082 -16.686 1.00 0.01 H new ATOM 0 HD12 LEU A 123 11.943 5.514 -15.032 1.00 0.01 H new ATOM 0 HD13 LEU A 123 11.854 7.251 -15.410 1.00 0.01 H new ATOM 0 HD21 LEU A 123 14.374 7.349 -17.187 1.00 0.01 H new ATOM 0 HD22 LEU A 123 13.962 8.531 -15.922 1.00 0.01 H new ATOM 0 HD23 LEU A 123 15.534 7.696 -15.883 1.00 0.01 H new ATOM 1918 N ARG A 124 15.856 8.321 -11.458 1.00 0.01 N ATOM 1919 CA ARG A 124 16.010 8.556 -9.990 1.00 0.00 C ATOM 1920 C ARG A 124 14.651 8.861 -9.347 1.00 0.01 C ATOM 1921 O ARG A 124 14.482 8.727 -8.152 1.00 0.01 O ATOM 1922 CB ARG A 124 16.942 9.752 -9.769 1.00 1.67 C ATOM 1923 CG ARG A 124 16.543 10.893 -10.714 1.00 1.98 C ATOM 1924 CD ARG A 124 17.115 12.218 -10.200 1.00 2.92 C ATOM 1925 NE ARG A 124 16.731 13.318 -11.127 1.00 3.54 N ATOM 1926 CZ ARG A 124 16.819 14.559 -10.734 1.00 4.57 C ATOM 1927 NH1 ARG A 124 17.232 14.831 -9.526 1.00 5.25 N ATOM 1928 NH2 ARG A 124 16.492 15.528 -11.544 1.00 5.32 N ATOM 0 H ARG A 124 15.960 9.151 -12.042 1.00 0.01 H new ATOM 0 HA ARG A 124 16.426 7.658 -9.533 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.883 10.086 -8.733 1.00 1.67 H new ATOM 0 HB3 ARG A 124 17.976 9.459 -9.951 1.00 1.67 H new ATOM 0 HG2 ARG A 124 16.914 10.692 -11.719 1.00 1.98 H new ATOM 0 HG3 ARG A 124 15.457 10.958 -10.783 1.00 1.98 H new ATOM 0 HD2 ARG A 124 16.739 12.424 -9.198 1.00 2.92 H new ATOM 0 HD3 ARG A 124 18.201 12.153 -10.126 1.00 2.92 H new ATOM 0 HE ARG A 124 16.400 13.102 -12.067 1.00 3.54 H new ATOM 0 HH11 ARG A 124 17.485 14.074 -8.891 1.00 5.25 H new ATOM 0 HH12 ARG A 124 17.301 15.801 -9.217 1.00 5.25 H new ATOM 0 HH21 ARG A 124 16.167 15.316 -12.487 1.00 5.32 H new ATOM 0 HH22 ARG A 124 16.562 16.497 -11.234 1.00 5.32 H new ATOM 1942 N GLU A 125 13.687 9.293 -10.118 1.00 0.01 N ATOM 1943 CA GLU A 125 12.354 9.630 -9.529 1.00 0.01 C ATOM 1944 C GLU A 125 11.244 9.365 -10.548 1.00 0.01 C ATOM 1945 O GLU A 125 11.494 9.223 -11.729 1.00 0.01 O ATOM 1946 CB GLU A 125 12.329 11.116 -9.160 1.00 0.01 C ATOM 1947 CG GLU A 125 13.225 11.358 -7.942 1.00 0.01 C ATOM 1948 CD GLU A 125 13.055 12.802 -7.466 1.00 0.02 C ATOM 1949 OE1 GLU A 125 12.216 13.494 -8.020 1.00 0.01 O ATOM 1950 OE2 GLU A 125 13.767 13.192 -6.556 1.00 0.02 O ATOM 0 H GLU A 125 13.763 9.427 -11.126 1.00 0.01 H new ATOM 0 HA GLU A 125 12.193 9.013 -8.645 1.00 0.01 H new ATOM 0 HB2 GLU A 125 12.673 11.716 -10.002 1.00 0.01 H new ATOM 0 HB3 GLU A 125 11.308 11.430 -8.941 1.00 0.01 H new ATOM 0 HG2 GLU A 125 12.964 10.666 -7.141 1.00 0.01 H new ATOM 0 HG3 GLU A 125 14.267 11.169 -8.200 1.00 0.01 H new ATOM 1957 N ILE A 126 10.013 9.321 -10.099 1.00 0.01 N ATOM 1958 CA ILE A 126 8.858 9.096 -11.023 1.00 0.01 C ATOM 1959 C ILE A 126 7.848 10.216 -10.777 1.00 0.01 C ATOM 1960 O ILE A 126 7.432 10.431 -9.655 1.00 0.01 O ATOM 1961 CB ILE A 126 8.188 7.760 -10.688 1.00 1.33 C ATOM 1962 CG1 ILE A 126 9.206 6.605 -10.805 1.00 1.49 C ATOM 1963 CG2 ILE A 126 7.003 7.539 -11.635 1.00 2.17 C ATOM 1964 CD1 ILE A 126 9.303 6.097 -12.251 1.00 1.70 C ATOM 0 H ILE A 126 9.757 9.433 -9.118 1.00 0.01 H new ATOM 0 HA ILE A 126 9.197 9.084 -12.059 1.00 0.01 H new ATOM 0 HB ILE A 126 7.824 7.782 -9.661 1.00 1.33 H new ATOM 0 HG12 ILE A 126 10.186 6.945 -10.469 1.00 1.49 H new ATOM 0 HG13 ILE A 126 8.910 5.787 -10.148 1.00 1.49 H new ATOM 0 HG21 ILE A 126 6.522 6.589 -11.401 1.00 2.17 H new ATOM 0 HG22 ILE A 126 6.284 8.349 -11.513 1.00 2.17 H new ATOM 0 HG23 ILE A 126 7.359 7.521 -12.665 1.00 2.17 H new ATOM 0 HD11 ILE A 126 10.027 5.284 -12.303 1.00 1.70 H new ATOM 0 HD12 ILE A 126 8.327 5.735 -12.576 1.00 1.70 H new ATOM 0 HD13 ILE A 126 9.623 6.911 -12.902 1.00 1.70 H new ATOM 1976 N HIS A 127 7.475 10.962 -11.796 1.00 0.01 N ATOM 1977 CA HIS A 127 6.520 12.102 -11.581 1.00 0.01 C ATOM 1978 C HIS A 127 5.136 11.810 -12.158 1.00 0.01 C ATOM 1979 O HIS A 127 4.176 12.488 -11.850 1.00 0.01 O ATOM 1980 CB HIS A 127 7.083 13.371 -12.227 1.00 0.02 C ATOM 1981 CG HIS A 127 8.338 13.784 -11.510 1.00 0.01 C ATOM 1982 ND1 HIS A 127 9.574 13.234 -11.809 1.00 0.01 N ATOM 1983 CD2 HIS A 127 8.564 14.693 -10.506 1.00 0.01 C ATOM 1984 CE1 HIS A 127 10.481 13.812 -11.000 1.00 0.01 C ATOM 1985 NE2 HIS A 127 9.918 14.709 -10.186 1.00 0.02 N ATOM 0 H HIS A 127 7.787 10.832 -12.758 1.00 0.01 H new ATOM 0 HA HIS A 127 6.409 12.240 -10.505 1.00 0.01 H new ATOM 0 HB2 HIS A 127 7.296 13.192 -13.281 1.00 0.02 H new ATOM 0 HB3 HIS A 127 6.346 14.172 -12.183 1.00 0.02 H new ATOM 0 HD2 HIS A 127 7.806 15.303 -10.036 1.00 0.01 H new ATOM 0 HE1 HIS A 127 11.536 13.579 -11.008 1.00 0.01 H new ATOM 0 HE2 HIS A 127 10.381 15.283 -9.481 1.00 0.02 H new ATOM 1993 N SER A 128 5.009 10.794 -12.966 1.00 0.01 N ATOM 1994 CA SER A 128 3.674 10.450 -13.526 1.00 0.01 C ATOM 1995 C SER A 128 3.699 9.002 -14.013 1.00 0.01 C ATOM 1996 O SER A 128 4.734 8.473 -14.373 1.00 0.01 O ATOM 1997 CB SER A 128 3.353 11.378 -14.698 1.00 0.01 C ATOM 1998 OG SER A 128 4.458 11.407 -15.592 1.00 0.01 O ATOM 0 H SER A 128 5.773 10.187 -13.262 1.00 0.01 H new ATOM 0 HA SER A 128 2.911 10.569 -12.757 1.00 0.01 H new ATOM 0 HB2 SER A 128 2.460 11.031 -15.217 1.00 0.01 H new ATOM 0 HB3 SER A 128 3.139 12.383 -14.333 1.00 0.01 H new ATOM 0 HG SER A 128 4.950 12.246 -15.476 1.00 0.01 H new ATOM 2004 N CYS A 129 2.569 8.351 -14.018 1.00 0.01 N ATOM 2005 CA CYS A 129 2.518 6.936 -14.471 1.00 0.01 C ATOM 2006 C CYS A 129 1.057 6.540 -14.662 1.00 0.00 C ATOM 2007 O CYS A 129 0.198 6.976 -13.922 1.00 0.01 O ATOM 2008 CB CYS A 129 3.165 6.032 -13.418 1.00 0.69 C ATOM 2009 SG CYS A 129 2.777 4.303 -13.788 1.00 1.22 S ATOM 0 H CYS A 129 1.674 8.743 -13.725 1.00 0.01 H new ATOM 0 HA CYS A 129 3.060 6.826 -15.410 1.00 0.01 H new ATOM 0 HB2 CYS A 129 4.245 6.180 -13.410 1.00 0.69 H new ATOM 0 HB3 CYS A 129 2.800 6.293 -12.425 1.00 0.69 H new ATOM 0 HG CYS A 129 3.205 4.008 -14.979 1.00 1.22 H new ATOM 2015 N LYS A 130 0.760 5.725 -15.650 1.00 0.01 N ATOM 2016 CA LYS A 130 -0.660 5.309 -15.888 1.00 0.01 C ATOM 2017 C LYS A 130 -0.761 3.782 -15.831 1.00 0.01 C ATOM 2018 O LYS A 130 -0.282 3.068 -16.684 1.00 0.01 O ATOM 2019 CB LYS A 130 -1.117 5.816 -17.268 1.00 0.55 C ATOM 2020 CG LYS A 130 -2.646 5.916 -17.308 1.00 0.80 C ATOM 2021 CD LYS A 130 -3.092 6.342 -18.709 1.00 0.29 C ATOM 2022 CE LYS A 130 -4.549 6.808 -18.663 1.00 0.33 C ATOM 2023 NZ LYS A 130 -5.392 5.745 -18.046 1.00 1.41 N ATOM 0 H LYS A 130 1.440 5.331 -16.300 1.00 0.01 H new ATOM 0 HA LYS A 130 -1.302 5.738 -15.119 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -0.675 6.791 -17.471 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -0.768 5.139 -18.048 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -3.091 4.955 -17.049 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -2.994 6.638 -16.569 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -2.454 7.146 -19.076 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -2.988 5.509 -19.404 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -4.629 7.730 -18.087 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -4.903 7.029 -19.670 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -6.376 6.075 -17.984 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -5.351 4.886 -18.631 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -5.038 5.531 -17.092 1.00 1.41 H new ATOM 2037 N VAL A 131 -1.391 3.296 -14.806 1.00 0.01 N ATOM 2038 CA VAL A 131 -1.583 1.828 -14.615 1.00 0.01 C ATOM 2039 C VAL A 131 -3.072 1.541 -14.751 1.00 0.01 C ATOM 2040 O VAL A 131 -3.881 2.230 -14.158 1.00 0.01 O ATOM 2041 CB VAL A 131 -1.101 1.423 -13.222 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -1.963 2.108 -12.157 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -1.212 -0.094 -13.067 1.00 0.01 C ATOM 0 H VAL A 131 -1.796 3.870 -14.066 1.00 0.01 H new ATOM 0 HA VAL A 131 -1.014 1.264 -15.354 1.00 0.01 H new ATOM 0 HB VAL A 131 -0.062 1.729 -13.097 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -1.616 1.817 -11.166 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -1.884 3.190 -12.266 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -3.003 1.806 -12.281 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -0.869 -0.384 -12.074 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -2.251 -0.398 -13.195 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -0.596 -0.583 -13.821 1.00 0.01 H new ATOM 2105 N TRP A 136 -2.275 -1.645 -7.384 1.00 0.01 N ATOM 2106 CA TRP A 136 -0.785 -1.645 -7.605 1.00 0.01 C ATOM 2107 C TRP A 136 -0.137 -0.943 -6.403 1.00 0.01 C ATOM 2108 O TRP A 136 -0.709 -0.025 -5.851 1.00 0.00 O ATOM 2109 CB TRP A 136 -0.442 -0.905 -8.913 1.00 0.01 C ATOM 2110 CG TRP A 136 -0.470 -1.865 -10.064 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -1.569 -2.524 -10.493 1.00 0.01 C ATOM 2112 CD2 TRP A 136 0.624 -2.285 -10.933 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -1.222 -3.322 -11.569 1.00 0.00 N ATOM 2114 CE2 TRP A 136 0.118 -3.209 -11.878 1.00 0.01 C ATOM 2115 CE3 TRP A 136 1.991 -1.957 -10.994 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 0.938 -3.788 -12.848 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 2.818 -2.537 -11.971 1.00 0.01 C ATOM 2118 CH2 TRP A 136 2.292 -3.452 -12.895 1.00 0.01 C ATOM 0 HA TRP A 136 -0.410 -2.665 -7.693 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -1.156 -0.099 -9.083 1.00 0.01 H new ATOM 0 HB3 TRP A 136 0.544 -0.447 -8.834 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -2.557 -2.441 -10.066 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -1.877 -3.921 -12.072 1.00 0.00 H new ATOM 0 HE3 TRP A 136 2.407 -1.256 -10.286 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 0.528 -4.491 -13.557 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 3.865 -2.277 -12.011 1.00 0.01 H new ATOM 0 HH2 TRP A 136 2.934 -3.896 -13.642 1.00 0.01 H new ATOM 2129 N ILE A 137 1.057 -1.336 -5.994 1.00 0.01 N ATOM 2130 CA ILE A 137 1.724 -0.653 -4.832 1.00 0.00 C ATOM 2131 C ILE A 137 3.053 -0.041 -5.275 1.00 0.01 C ATOM 2132 O ILE A 137 3.847 -0.668 -5.946 1.00 0.01 O ATOM 2133 CB ILE A 137 2.039 -1.666 -3.723 1.00 0.60 C ATOM 2134 CG1 ILE A 137 0.812 -2.505 -3.386 1.00 1.32 C ATOM 2135 CG2 ILE A 137 2.493 -0.916 -2.471 1.00 1.37 C ATOM 2136 CD1 ILE A 137 1.242 -3.645 -2.456 1.00 1.69 C ATOM 0 H ILE A 137 1.593 -2.096 -6.414 1.00 0.01 H new ATOM 0 HA ILE A 137 1.044 0.116 -4.466 1.00 0.00 H new ATOM 0 HB ILE A 137 2.828 -2.330 -4.075 1.00 0.60 H new ATOM 0 HG12 ILE A 137 0.053 -1.889 -2.904 1.00 1.32 H new ATOM 0 HG13 ILE A 137 0.366 -2.906 -4.296 1.00 1.32 H new ATOM 0 HG21 ILE A 137 2.718 -1.631 -1.680 1.00 1.37 H new ATOM 0 HG22 ILE A 137 3.386 -0.334 -2.699 1.00 1.37 H new ATOM 0 HG23 ILE A 137 1.699 -0.247 -2.140 1.00 1.37 H new ATOM 0 HD11 ILE A 137 0.375 -4.256 -2.205 1.00 1.69 H new ATOM 0 HD12 ILE A 137 1.988 -4.262 -2.957 1.00 1.69 H new ATOM 0 HD13 ILE A 137 1.669 -3.229 -1.544 1.00 1.69 H new ATOM 2148 N PHE A 138 3.311 1.169 -4.858 1.00 0.01 N ATOM 2149 CA PHE A 138 4.603 1.857 -5.184 1.00 0.01 C ATOM 2150 C PHE A 138 5.367 1.961 -3.859 1.00 0.01 C ATOM 2151 O PHE A 138 4.769 2.186 -2.829 1.00 0.00 O ATOM 2152 CB PHE A 138 4.313 3.266 -5.744 1.00 1.11 C ATOM 2153 CG PHE A 138 4.087 3.255 -7.259 1.00 1.11 C ATOM 2154 CD1 PHE A 138 3.680 2.094 -7.947 1.00 1.54 C ATOM 2155 CD2 PHE A 138 4.284 4.442 -7.980 1.00 1.46 C ATOM 2156 CE1 PHE A 138 3.483 2.132 -9.333 1.00 2.35 C ATOM 2157 CE2 PHE A 138 4.086 4.472 -9.364 1.00 2.01 C ATOM 2158 CZ PHE A 138 3.685 3.319 -10.040 1.00 2.49 C ATOM 0 H PHE A 138 2.669 1.725 -4.293 1.00 0.01 H new ATOM 0 HA PHE A 138 5.178 1.313 -5.934 1.00 0.01 H new ATOM 0 HB2 PHE A 138 3.432 3.676 -5.251 1.00 1.11 H new ATOM 0 HB3 PHE A 138 5.147 3.927 -5.508 1.00 1.11 H new ATOM 0 HD1 PHE A 138 3.520 1.174 -7.405 1.00 1.54 H new ATOM 0 HD2 PHE A 138 4.591 5.339 -7.463 1.00 1.46 H new ATOM 0 HE1 PHE A 138 3.174 1.240 -9.857 1.00 2.35 H new ATOM 0 HE2 PHE A 138 4.244 5.390 -9.911 1.00 2.01 H new ATOM 0 HZ PHE A 138 3.531 3.345 -11.109 1.00 2.49 H new ATOM 2168 N TYR A 139 6.675 1.798 -3.865 1.00 0.01 N ATOM 2169 CA TYR A 139 7.462 1.887 -2.584 1.00 0.01 C ATOM 2170 C TYR A 139 8.544 2.960 -2.713 1.00 0.01 C ATOM 2171 O TYR A 139 9.102 3.176 -3.777 1.00 0.01 O ATOM 2172 CB TYR A 139 8.126 0.542 -2.288 1.00 0.01 C ATOM 2173 CG TYR A 139 7.081 -0.550 -2.287 1.00 0.01 C ATOM 2174 CD1 TYR A 139 6.531 -0.981 -3.495 1.00 0.01 C ATOM 2175 CD2 TYR A 139 6.669 -1.132 -1.081 1.00 0.01 C ATOM 2176 CE1 TYR A 139 5.568 -1.996 -3.505 1.00 0.01 C ATOM 2177 CE2 TYR A 139 5.704 -2.147 -1.089 1.00 0.02 C ATOM 2178 CZ TYR A 139 5.154 -2.578 -2.302 1.00 0.02 C ATOM 2179 OH TYR A 139 4.205 -3.578 -2.312 1.00 0.00 O ATOM 0 H TYR A 139 7.230 1.608 -4.699 1.00 0.01 H new ATOM 0 HA TYR A 139 6.783 2.147 -1.772 1.00 0.01 H new ATOM 0 HB2 TYR A 139 8.889 0.329 -3.037 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.630 0.578 -1.322 1.00 0.01 H new ATOM 0 HD1 TYR A 139 6.849 -0.530 -4.424 1.00 0.01 H new ATOM 0 HD2 TYR A 139 7.095 -0.798 -0.146 1.00 0.01 H new ATOM 0 HE1 TYR A 139 5.145 -2.330 -4.441 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.385 -2.597 -0.160 1.00 0.02 H new ATOM 0 HH TYR A 139 3.845 -3.697 -1.408 1.00 0.00 H new ATOM 2189 N GLU A 140 8.809 3.664 -1.641 1.00 0.01 N ATOM 2190 CA GLU A 140 9.802 4.774 -1.681 1.00 0.02 C ATOM 2191 C GLU A 140 11.239 4.246 -1.741 1.00 0.01 C ATOM 2192 O GLU A 140 12.098 4.893 -2.306 1.00 0.01 O ATOM 2193 CB GLU A 140 9.630 5.599 -0.406 1.00 0.01 C ATOM 2194 CG GLU A 140 10.536 6.830 -0.466 1.00 0.02 C ATOM 2195 CD GLU A 140 10.106 7.833 0.605 1.00 0.02 C ATOM 2196 OE1 GLU A 140 9.019 8.373 0.481 1.00 0.01 O ATOM 2197 OE2 GLU A 140 10.871 8.044 1.533 1.00 0.02 O ATOM 0 H GLU A 140 8.373 3.513 -0.731 1.00 0.01 H new ATOM 0 HA GLU A 140 9.629 5.372 -2.575 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.590 5.905 -0.297 1.00 0.01 H new ATOM 0 HB3 GLU A 140 9.878 4.995 0.467 1.00 0.01 H new ATOM 0 HG2 GLU A 140 11.575 6.538 -0.310 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.479 7.289 -1.453 1.00 0.02 H new ATOM 2204 N LEU A 141 11.531 3.100 -1.166 1.00 0.01 N ATOM 2205 CA LEU A 141 12.938 2.572 -1.202 1.00 0.02 C ATOM 2206 C LEU A 141 12.960 1.257 -2.006 1.00 0.01 C ATOM 2207 O LEU A 141 11.956 0.571 -2.093 1.00 0.01 O ATOM 2208 CB LEU A 141 13.394 2.306 0.248 1.00 0.57 C ATOM 2209 CG LEU A 141 13.933 3.603 0.886 1.00 0.81 C ATOM 2210 CD1 LEU A 141 13.851 3.502 2.413 1.00 1.48 C ATOM 2211 CD2 LEU A 141 15.398 3.831 0.482 1.00 1.24 C ATOM 0 H LEU A 141 10.860 2.509 -0.675 1.00 0.01 H new ATOM 0 HA LEU A 141 13.607 3.292 -1.674 1.00 0.02 H new ATOM 0 HB2 LEU A 141 12.559 1.924 0.835 1.00 0.57 H new ATOM 0 HB3 LEU A 141 14.168 1.539 0.258 1.00 0.57 H new ATOM 0 HG LEU A 141 13.327 4.438 0.534 1.00 0.81 H new ATOM 0 HD11 LEU A 141 14.233 4.420 2.859 1.00 1.48 H new ATOM 0 HD12 LEU A 141 12.813 3.357 2.713 1.00 1.48 H new ATOM 0 HD13 LEU A 141 14.449 2.657 2.754 1.00 1.48 H new ATOM 0 HD21 LEU A 141 15.763 4.750 0.940 1.00 1.24 H new ATOM 0 HD22 LEU A 141 16.004 2.991 0.821 1.00 1.24 H new ATOM 0 HD23 LEU A 141 15.468 3.914 -0.603 1.00 1.24 H new ATOM 2223 N PRO A 142 14.090 0.898 -2.591 1.00 0.01 N ATOM 2224 CA PRO A 142 14.183 -0.359 -3.390 1.00 0.01 C ATOM 2225 C PRO A 142 13.772 -1.601 -2.591 1.00 0.01 C ATOM 2226 O PRO A 142 13.648 -1.586 -1.383 1.00 0.01 O ATOM 2227 CB PRO A 142 15.678 -0.407 -3.781 1.00 0.01 C ATOM 2228 CG PRO A 142 16.404 0.745 -3.064 1.00 0.02 C ATOM 2229 CD PRO A 142 15.344 1.706 -2.505 1.00 0.01 C ATOM 0 HA PRO A 142 13.506 -0.360 -4.244 1.00 0.01 H new ATOM 0 HB2 PRO A 142 16.114 -1.365 -3.497 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.791 -0.313 -4.861 1.00 0.01 H new ATOM 0 HG2 PRO A 142 17.029 0.358 -2.259 1.00 0.02 H new ATOM 0 HG3 PRO A 142 17.064 1.268 -3.756 1.00 0.02 H new ATOM 0 HD2 PRO A 142 15.566 2.001 -1.479 1.00 0.01 H new ATOM 0 HD3 PRO A 142 15.277 2.621 -3.093 1.00 0.01 H new ATOM 2237 N ASN A 143 13.590 -2.680 -3.300 1.00 0.01 N ATOM 2238 CA ASN A 143 13.215 -3.976 -2.670 1.00 0.01 C ATOM 2239 C ASN A 143 11.896 -3.865 -1.905 1.00 0.01 C ATOM 2240 O ASN A 143 11.664 -4.561 -0.936 1.00 0.01 O ATOM 2241 CB ASN A 143 14.320 -4.406 -1.706 1.00 0.23 C ATOM 2242 CG ASN A 143 14.098 -5.863 -1.296 1.00 0.11 C ATOM 2243 OD1 ASN A 143 14.040 -6.740 -2.134 1.00 0.75 O ATOM 2244 ND2 ASN A 143 13.964 -6.159 -0.031 1.00 0.56 N ATOM 0 H ASN A 143 13.688 -2.718 -4.315 1.00 0.01 H new ATOM 0 HA ASN A 143 13.090 -4.715 -3.461 1.00 0.01 H new ATOM 0 HB2 ASN A 143 15.295 -4.295 -2.180 1.00 0.23 H new ATOM 0 HB3 ASN A 143 14.319 -3.764 -0.825 1.00 0.23 H new ATOM 0 HD21 ASN A 143 13.811 -7.127 0.253 1.00 0.56 H new ATOM 0 HD22 ASN A 143 14.013 -5.423 0.673 1.00 0.56 H new ATOM 2251 N TYR A 144 11.014 -3.019 -2.363 1.00 0.01 N ATOM 2252 CA TYR A 144 9.682 -2.875 -1.710 1.00 0.02 C ATOM 2253 C TYR A 144 9.831 -2.500 -0.230 1.00 0.01 C ATOM 2254 O TYR A 144 9.257 -3.131 0.636 1.00 0.01 O ATOM 2255 CB TYR A 144 8.915 -4.203 -1.841 1.00 0.01 C ATOM 2256 CG TYR A 144 9.298 -4.870 -3.147 1.00 0.01 C ATOM 2257 CD1 TYR A 144 9.150 -4.175 -4.354 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.810 -6.176 -3.150 1.00 0.01 C ATOM 2259 CE1 TYR A 144 9.511 -4.784 -5.563 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.173 -6.783 -4.359 1.00 0.01 C ATOM 2261 CZ TYR A 144 10.023 -6.088 -5.565 1.00 0.01 C ATOM 2262 OH TYR A 144 10.383 -6.686 -6.757 1.00 0.01 O ATOM 0 H TYR A 144 11.162 -2.415 -3.171 1.00 0.01 H new ATOM 0 HA TYR A 144 9.131 -2.075 -2.204 1.00 0.02 H new ATOM 0 HB2 TYR A 144 9.150 -4.857 -1.002 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.841 -4.021 -1.812 1.00 0.01 H new ATOM 0 HD1 TYR A 144 8.757 -3.169 -4.353 1.00 0.01 H new ATOM 0 HD2 TYR A 144 9.924 -6.713 -2.220 1.00 0.01 H new ATOM 0 HE1 TYR A 144 9.395 -4.248 -6.493 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.569 -7.788 -4.361 1.00 0.01 H new ATOM 0 HH TYR A 144 10.720 -7.589 -6.581 1.00 0.01 H new ATOM 2272 N ARG A 145 10.598 -1.474 0.062 1.00 0.02 N ATOM 2273 CA ARG A 145 10.789 -1.045 1.491 1.00 0.01 C ATOM 2274 C ARG A 145 10.457 0.443 1.636 1.00 0.01 C ATOM 2275 O ARG A 145 10.357 1.162 0.661 1.00 0.01 O ATOM 2276 CB ARG A 145 12.254 -1.271 1.895 1.00 0.01 C ATOM 2277 CG ARG A 145 12.530 -2.779 2.086 1.00 0.02 C ATOM 2278 CD ARG A 145 12.284 -3.191 3.550 1.00 0.01 C ATOM 2279 NE ARG A 145 11.228 -2.328 4.147 1.00 0.01 N ATOM 2280 CZ ARG A 145 10.634 -2.699 5.248 1.00 0.01 C ATOM 2281 NH1 ARG A 145 10.967 -3.823 5.823 1.00 0.02 N ATOM 2282 NH2 ARG A 145 9.707 -1.946 5.775 1.00 0.01 N ATOM 0 H ARG A 145 11.101 -0.914 -0.626 1.00 0.02 H new ATOM 0 HA ARG A 145 10.129 -1.629 2.132 1.00 0.01 H new ATOM 0 HB2 ARG A 145 12.916 -0.867 1.129 1.00 0.01 H new ATOM 0 HB3 ARG A 145 12.471 -0.735 2.819 1.00 0.01 H new ATOM 0 HG2 ARG A 145 11.886 -3.359 1.426 1.00 0.02 H new ATOM 0 HG3 ARG A 145 13.559 -3.005 1.806 1.00 0.02 H new ATOM 0 HD2 ARG A 145 11.981 -4.237 3.597 1.00 0.01 H new ATOM 0 HD3 ARG A 145 13.207 -3.101 4.123 1.00 0.01 H new ATOM 0 HE ARG A 145 10.970 -1.450 3.697 1.00 0.01 H new ATOM 0 HH11 ARG A 145 11.692 -4.411 5.412 1.00 0.02 H new ATOM 0 HH12 ARG A 145 10.503 -4.113 6.684 1.00 0.02 H new ATOM 0 HH21 ARG A 145 9.447 -1.068 5.326 1.00 0.01 H new ATOM 0 HH22 ARG A 145 9.243 -2.236 6.636 1.00 0.01 H new ATOM 2296 N GLY A 146 10.272 0.912 2.846 1.00 0.01 N ATOM 2297 CA GLY A 146 9.941 2.354 3.058 1.00 0.02 C ATOM 2298 C GLY A 146 8.424 2.558 3.006 1.00 0.01 C ATOM 2299 O GLY A 146 7.654 1.621 3.069 1.00 0.02 O ATOM 0 H GLY A 146 10.336 0.355 3.698 1.00 0.01 H new ATOM 0 HA2 GLY A 146 10.328 2.686 4.021 1.00 0.02 H new ATOM 0 HA3 GLY A 146 10.424 2.962 2.294 1.00 0.02 H new ATOM 2303 N ARG A 147 7.998 3.787 2.886 1.00 0.01 N ATOM 2304 CA ARG A 147 6.537 4.076 2.825 1.00 0.01 C ATOM 2305 C ARG A 147 5.987 3.562 1.499 1.00 0.01 C ATOM 2306 O ARG A 147 6.638 3.615 0.472 1.00 0.01 O ATOM 2307 CB ARG A 147 6.314 5.587 2.920 1.00 0.01 C ATOM 2308 CG ARG A 147 4.813 5.874 2.978 1.00 0.01 C ATOM 2309 CD ARG A 147 4.585 7.336 3.367 1.00 0.01 C ATOM 2310 NE ARG A 147 5.347 8.220 2.442 1.00 0.02 N ATOM 2311 CZ ARG A 147 5.069 9.491 2.381 1.00 0.02 C ATOM 2312 NH1 ARG A 147 4.125 9.988 3.132 1.00 0.01 N ATOM 2313 NH2 ARG A 147 5.734 10.266 1.569 1.00 0.02 N ATOM 0 H ARG A 147 8.603 4.606 2.827 1.00 0.01 H new ATOM 0 HA ARG A 147 6.026 3.584 3.652 1.00 0.01 H new ATOM 0 HB2 ARG A 147 6.806 5.984 3.808 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.758 6.087 2.059 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.356 5.669 2.010 1.00 0.01 H new ATOM 0 HG3 ARG A 147 4.334 5.215 3.703 1.00 0.01 H new ATOM 0 HD2 ARG A 147 3.522 7.574 3.322 1.00 0.01 H new ATOM 0 HD3 ARG A 147 4.906 7.504 4.395 1.00 0.01 H new ATOM 0 HE ARG A 147 6.086 7.830 1.857 1.00 0.02 H new ATOM 0 HH11 ARG A 147 3.605 9.381 3.766 1.00 0.01 H new ATOM 0 HH12 ARG A 147 3.907 10.983 3.085 1.00 0.01 H new ATOM 0 HH21 ARG A 147 6.472 9.877 0.982 1.00 0.02 H new ATOM 0 HH22 ARG A 147 5.516 11.261 1.521 1.00 0.02 H new ATOM 2327 N GLN A 148 4.791 3.028 1.533 1.00 0.01 N ATOM 2328 CA GLN A 148 4.164 2.456 0.304 1.00 0.01 C ATOM 2329 C GLN A 148 2.941 3.291 -0.091 1.00 0.01 C ATOM 2330 O GLN A 148 2.259 3.848 0.746 1.00 0.01 O ATOM 2331 CB GLN A 148 3.711 1.023 0.637 1.00 0.00 C ATOM 2332 CG GLN A 148 4.712 0.374 1.595 1.00 0.02 C ATOM 2333 CD GLN A 148 4.386 -1.114 1.742 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.418 -1.592 1.186 1.00 0.02 O ATOM 2335 NE2 GLN A 148 5.157 -1.870 2.474 1.00 0.01 N ATOM 0 H GLN A 148 4.216 2.964 2.373 1.00 0.01 H new ATOM 0 HA GLN A 148 4.875 2.459 -0.522 1.00 0.01 H new ATOM 0 HB2 GLN A 148 2.719 1.041 1.089 1.00 0.00 H new ATOM 0 HB3 GLN A 148 3.634 0.434 -0.277 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.727 0.499 1.217 1.00 0.02 H new ATOM 0 HG3 GLN A 148 4.671 0.864 2.568 1.00 0.02 H new ATOM 0 HE21 GLN A 148 5.970 -1.469 2.941 1.00 0.01 H new ATOM 0 HE22 GLN A 148 4.947 -2.863 2.579 1.00 0.01 H new ATOM 2344 N TYR A 149 2.655 3.358 -1.366 1.00 0.01 N ATOM 2345 CA TYR A 149 1.467 4.124 -1.858 1.00 0.01 C ATOM 2346 C TYR A 149 0.584 3.177 -2.672 1.00 0.01 C ATOM 2347 O TYR A 149 1.076 2.417 -3.481 1.00 0.01 O ATOM 2348 CB TYR A 149 1.930 5.293 -2.734 1.00 0.01 C ATOM 2349 CG TYR A 149 3.092 5.990 -2.069 1.00 0.01 C ATOM 2350 CD1 TYR A 149 4.400 5.558 -2.315 1.00 0.01 C ATOM 2351 CD2 TYR A 149 2.862 7.070 -1.206 1.00 0.01 C ATOM 2352 CE1 TYR A 149 5.479 6.204 -1.698 1.00 0.01 C ATOM 2353 CE2 TYR A 149 3.940 7.716 -0.590 1.00 0.01 C ATOM 2354 CZ TYR A 149 5.249 7.283 -0.836 1.00 0.01 C ATOM 2355 OH TYR A 149 6.312 7.918 -0.228 1.00 0.01 O ATOM 0 H TYR A 149 3.202 2.908 -2.099 1.00 0.01 H new ATOM 0 HA TYR A 149 0.903 4.524 -1.015 1.00 0.01 H new ATOM 0 HB2 TYR A 149 2.225 4.929 -3.718 1.00 0.01 H new ATOM 0 HB3 TYR A 149 1.110 5.995 -2.886 1.00 0.01 H new ATOM 0 HD1 TYR A 149 4.578 4.726 -2.981 1.00 0.01 H new ATOM 0 HD2 TYR A 149 1.853 7.404 -1.016 1.00 0.01 H new ATOM 0 HE1 TYR A 149 6.488 5.870 -1.887 1.00 0.01 H new ATOM 0 HE2 TYR A 149 3.762 8.548 0.075 1.00 0.01 H new ATOM 0 HH TYR A 149 7.150 7.491 -0.505 1.00 0.01 H new ATOM 2365 N LEU A 150 -0.707 3.182 -2.454 1.00 0.01 N ATOM 2366 CA LEU A 150 -1.596 2.242 -3.209 1.00 0.01 C ATOM 2367 C LEU A 150 -2.202 2.956 -4.418 1.00 0.01 C ATOM 2368 O LEU A 150 -2.870 3.962 -4.290 1.00 0.01 O ATOM 2369 CB LEU A 150 -2.710 1.773 -2.266 1.00 0.01 C ATOM 2370 CG LEU A 150 -3.548 0.661 -2.932 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -2.856 -0.700 -2.768 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -4.931 0.598 -2.274 1.00 0.01 C ATOM 0 H LEU A 150 -1.183 3.792 -1.790 1.00 0.01 H new ATOM 0 HA LEU A 150 -1.022 1.387 -3.565 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -2.277 1.403 -1.337 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -3.352 2.614 -2.005 1.00 0.01 H new ATOM 0 HG LEU A 150 -3.648 0.888 -3.993 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -3.459 -1.474 -3.243 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -1.873 -0.667 -3.237 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -2.745 -0.926 -1.708 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -5.522 -0.187 -2.745 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -4.819 0.381 -1.212 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -5.436 1.556 -2.397 1.00 0.01 H new ATOM 2384 N LEU A 151 -1.992 2.417 -5.591 1.00 0.01 N ATOM 2385 CA LEU A 151 -2.570 3.026 -6.824 1.00 0.01 C ATOM 2386 C LEU A 151 -3.890 2.310 -7.131 1.00 0.01 C ATOM 2387 O LEU A 151 -3.978 1.097 -7.052 1.00 0.01 O ATOM 2388 CB LEU A 151 -1.591 2.848 -7.995 1.00 0.01 C ATOM 2389 CG LEU A 151 -0.533 3.955 -7.963 1.00 0.01 C ATOM 2390 CD1 LEU A 151 0.216 3.907 -6.631 1.00 0.01 C ATOM 2391 CD2 LEU A 151 0.454 3.741 -9.111 1.00 0.01 C ATOM 0 H LEU A 151 -1.440 1.574 -5.748 1.00 0.01 H new ATOM 0 HA LEU A 151 -2.746 4.092 -6.678 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -1.110 1.872 -7.933 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -2.132 2.878 -8.941 1.00 0.01 H new ATOM 0 HG LEU A 151 -1.016 4.926 -8.071 1.00 0.01 H new ATOM 0 HD11 LEU A 151 0.969 4.695 -6.608 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -0.488 4.054 -5.812 1.00 0.01 H new ATOM 0 HD13 LEU A 151 0.702 2.937 -6.522 1.00 0.01 H new ATOM 0 HD21 LEU A 151 1.209 4.527 -9.093 1.00 0.01 H new ATOM 0 HD22 LEU A 151 0.937 2.770 -8.999 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -0.080 3.773 -10.061 1.00 0.01 H new ATOM 2403 N ASP A 152 -4.917 3.056 -7.460 1.00 0.01 N ATOM 2404 CA ASP A 152 -6.251 2.442 -7.752 1.00 0.01 C ATOM 2405 C ASP A 152 -6.533 2.474 -9.257 1.00 0.00 C ATOM 2406 O ASP A 152 -5.658 2.733 -10.059 1.00 0.01 O ATOM 2407 CB ASP A 152 -7.336 3.238 -7.024 1.00 1.04 C ATOM 2408 CG ASP A 152 -7.181 3.045 -5.515 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -6.640 2.025 -5.122 1.00 1.57 O ATOM 2410 OD2 ASP A 152 -7.604 3.920 -4.779 1.00 2.27 O ATOM 0 H ASP A 152 -4.888 4.072 -7.539 1.00 0.01 H new ATOM 0 HA ASP A 152 -6.248 1.406 -7.412 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -7.258 4.295 -7.276 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -8.323 2.906 -7.345 1.00 1.04 H new ATOM 2415 N LYS A 153 -7.753 2.203 -9.639 1.00 0.01 N ATOM 2416 CA LYS A 153 -8.113 2.206 -11.086 1.00 0.01 C ATOM 2417 C LYS A 153 -8.326 3.642 -11.567 1.00 0.01 C ATOM 2418 O LYS A 153 -9.162 3.901 -12.410 1.00 0.01 O ATOM 2419 CB LYS A 153 -9.405 1.410 -11.286 1.00 0.38 C ATOM 2420 CG LYS A 153 -10.425 1.815 -10.218 1.00 0.71 C ATOM 2421 CD LYS A 153 -11.807 1.280 -10.603 1.00 0.72 C ATOM 2422 CE LYS A 153 -12.850 1.803 -9.615 1.00 1.09 C ATOM 2423 NZ LYS A 153 -12.611 1.202 -8.272 1.00 1.84 N ATOM 0 H LYS A 153 -8.520 1.978 -9.006 1.00 0.01 H new ATOM 0 HA LYS A 153 -7.304 1.752 -11.658 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -9.810 1.598 -12.280 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -9.200 0.341 -11.222 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -10.128 1.419 -9.247 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -10.457 2.900 -10.123 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -12.061 1.593 -11.616 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -11.801 0.190 -10.599 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -12.795 2.890 -9.553 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -13.853 1.554 -9.963 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -13.427 1.392 -7.656 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -12.483 0.175 -8.369 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -11.756 1.619 -7.852 1.00 1.84 H new ATOM 2437 N LYS A 154 -7.578 4.576 -11.038 1.00 0.00 N ATOM 2438 CA LYS A 154 -7.728 6.007 -11.459 1.00 0.01 C ATOM 2439 C LYS A 154 -6.476 6.446 -12.219 1.00 0.01 C ATOM 2440 O LYS A 154 -5.490 5.738 -12.275 1.00 0.00 O ATOM 2441 CB LYS A 154 -7.889 6.886 -10.216 1.00 0.39 C ATOM 2442 CG LYS A 154 -9.226 6.583 -9.535 1.00 0.48 C ATOM 2443 CD LYS A 154 -9.543 7.683 -8.519 1.00 0.97 C ATOM 2444 CE LYS A 154 -10.715 7.248 -7.638 1.00 1.44 C ATOM 2445 NZ LYS A 154 -10.241 6.247 -6.641 1.00 2.28 N ATOM 0 H LYS A 154 -6.865 4.410 -10.328 1.00 0.00 H new ATOM 0 HA LYS A 154 -8.604 6.107 -12.100 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -7.068 6.704 -9.522 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -7.843 7.939 -10.496 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -10.020 6.521 -10.280 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -9.181 5.615 -9.036 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -8.667 7.885 -7.902 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -9.789 8.610 -9.037 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -11.141 8.112 -7.128 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -11.506 6.819 -8.253 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -10.946 6.152 -5.882 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -10.110 5.327 -7.108 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -9.336 6.562 -6.236 1.00 2.28 H new ATOM 2459 N GLU A 155 -6.507 7.621 -12.794 1.00 0.01 N ATOM 2460 CA GLU A 155 -5.322 8.138 -13.547 1.00 0.01 C ATOM 2461 C GLU A 155 -4.632 9.195 -12.687 1.00 0.01 C ATOM 2462 O GLU A 155 -5.233 10.177 -12.299 1.00 0.01 O ATOM 2463 CB GLU A 155 -5.791 8.774 -14.857 1.00 0.01 C ATOM 2464 CG GLU A 155 -6.606 7.757 -15.657 1.00 0.01 C ATOM 2465 CD GLU A 155 -7.113 8.407 -16.945 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -7.635 9.506 -16.866 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -6.971 7.794 -17.991 1.00 0.01 O ATOM 0 H GLU A 155 -7.309 8.251 -12.774 1.00 0.01 H new ATOM 0 HA GLU A 155 -4.632 7.325 -13.771 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -6.396 9.657 -14.649 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -4.932 9.106 -15.440 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -5.992 6.888 -15.893 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -7.447 7.400 -15.062 1.00 0.01 H new ATOM 2474 N TYR A 156 -3.380 8.995 -12.367 1.00 0.00 N ATOM 2475 CA TYR A 156 -2.653 9.980 -11.508 1.00 0.01 C ATOM 2476 C TYR A 156 -1.822 10.923 -12.378 1.00 0.01 C ATOM 2477 O TYR A 156 -0.897 10.509 -13.048 1.00 0.01 O ATOM 2478 CB TYR A 156 -1.750 9.215 -10.536 1.00 0.01 C ATOM 2479 CG TYR A 156 -2.595 8.270 -9.715 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -3.185 8.712 -8.527 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -2.792 6.952 -10.146 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -3.971 7.842 -7.768 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -3.580 6.080 -9.386 1.00 0.01 C ATOM 2484 CZ TYR A 156 -4.169 6.524 -8.197 1.00 0.01 C ATOM 2485 OH TYR A 156 -4.945 5.667 -7.447 1.00 0.01 O ATOM 0 H TYR A 156 -2.827 8.191 -12.664 1.00 0.00 H new ATOM 0 HA TYR A 156 -3.369 10.579 -10.945 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -0.991 8.659 -11.086 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -1.224 9.912 -9.884 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -3.033 9.728 -8.195 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -2.337 6.609 -11.063 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -4.426 8.186 -6.851 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -3.734 5.064 -9.718 1.00 0.01 H new ATOM 0 HH TYR A 156 -5.883 5.944 -7.500 1.00 0.01 H new ATOM 2495 N ARG A 157 -2.170 12.184 -12.411 1.00 0.01 N ATOM 2496 CA ARG A 157 -1.432 13.146 -13.281 1.00 0.01 C ATOM 2497 C ARG A 157 -0.308 13.829 -12.500 1.00 0.00 C ATOM 2498 O ARG A 157 0.682 14.239 -13.073 1.00 0.01 O ATOM 2499 CB ARG A 157 -2.404 14.220 -13.787 1.00 0.01 C ATOM 2500 CG ARG A 157 -3.494 13.590 -14.683 1.00 0.01 C ATOM 2501 CD ARG A 157 -4.691 13.121 -13.838 1.00 0.00 C ATOM 2502 NE ARG A 157 -5.191 14.249 -13.001 1.00 0.01 N ATOM 2503 CZ ARG A 157 -6.357 14.167 -12.423 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -7.089 13.100 -12.580 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -6.789 15.155 -11.688 1.00 0.01 N ATOM 0 H ARG A 157 -2.935 12.589 -11.871 1.00 0.01 H new ATOM 0 HA ARG A 157 -1.001 12.596 -14.118 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -2.869 14.725 -12.940 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -1.857 14.977 -14.349 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -3.828 14.317 -15.423 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -3.077 12.745 -15.232 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -5.487 12.758 -14.488 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -4.394 12.287 -13.201 1.00 0.00 H new ATOM 0 HE ARG A 157 -4.620 15.086 -12.880 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -6.750 12.329 -13.155 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -8.001 13.036 -12.128 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -6.215 15.989 -11.567 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -7.701 15.093 -11.235 1.00 0.01 H new ATOM 2519 N LYS A 158 -0.436 13.941 -11.200 1.00 0.01 N ATOM 2520 CA LYS A 158 0.636 14.582 -10.374 1.00 0.01 C ATOM 2521 C LYS A 158 1.068 13.579 -9.292 1.00 0.01 C ATOM 2522 O LYS A 158 0.301 12.718 -8.914 1.00 0.01 O ATOM 2523 CB LYS A 158 0.066 15.856 -9.717 1.00 0.58 C ATOM 2524 CG LYS A 158 0.309 17.070 -10.623 1.00 0.97 C ATOM 2525 CD LYS A 158 -0.199 18.339 -9.931 1.00 1.44 C ATOM 2526 CE LYS A 158 0.411 19.571 -10.605 1.00 2.13 C ATOM 2527 NZ LYS A 158 1.841 19.692 -10.208 1.00 2.54 N ATOM 0 H LYS A 158 -1.244 13.613 -10.671 1.00 0.01 H new ATOM 0 HA LYS A 158 1.493 14.853 -10.990 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -1.002 15.735 -9.537 1.00 0.58 H new ATOM 0 HB3 LYS A 158 0.537 16.016 -8.747 1.00 0.58 H new ATOM 0 HG2 LYS A 158 1.372 17.165 -10.843 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -0.203 16.934 -11.576 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -1.287 18.384 -9.985 1.00 1.44 H new ATOM 0 HD3 LYS A 158 0.068 18.321 -8.874 1.00 1.44 H new ATOM 0 HE2 LYS A 158 0.329 19.485 -11.688 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -0.136 20.467 -10.314 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 2.155 20.675 -10.336 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 1.948 19.422 -9.209 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 2.420 19.064 -10.801 1.00 2.54 H new ATOM 2541 N PRO A 159 2.266 13.683 -8.770 1.00 0.01 N ATOM 2542 CA PRO A 159 2.703 12.742 -7.704 1.00 0.02 C ATOM 2543 C PRO A 159 1.804 12.866 -6.467 1.00 0.01 C ATOM 2544 O PRO A 159 1.452 11.883 -5.848 1.00 0.01 O ATOM 2545 CB PRO A 159 4.149 13.201 -7.427 1.00 0.41 C ATOM 2546 CG PRO A 159 4.353 14.562 -8.122 1.00 0.70 C ATOM 2547 CD PRO A 159 3.252 14.721 -9.181 1.00 0.28 C ATOM 0 HA PRO A 159 2.643 11.690 -7.984 1.00 0.02 H new ATOM 0 HB2 PRO A 159 4.323 13.290 -6.355 1.00 0.41 H new ATOM 0 HB3 PRO A 159 4.862 12.468 -7.806 1.00 0.41 H new ATOM 0 HG2 PRO A 159 4.303 15.373 -7.395 1.00 0.70 H new ATOM 0 HG3 PRO A 159 5.338 14.610 -8.586 1.00 0.70 H new ATOM 0 HD2 PRO A 159 2.818 15.721 -9.170 1.00 0.28 H new ATOM 0 HD3 PRO A 159 3.629 14.548 -10.189 1.00 0.28 H new ATOM 2555 N VAL A 160 1.437 14.052 -6.097 1.00 0.01 N ATOM 2556 CA VAL A 160 0.570 14.210 -4.899 1.00 0.02 C ATOM 2557 C VAL A 160 -0.763 13.495 -5.141 1.00 0.02 C ATOM 2558 O VAL A 160 -1.497 13.204 -4.218 1.00 0.02 O ATOM 2559 CB VAL A 160 0.318 15.699 -4.652 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -0.553 15.871 -3.406 1.00 0.86 C ATOM 2561 CG2 VAL A 160 1.656 16.410 -4.440 1.00 0.74 C ATOM 0 H VAL A 160 1.696 14.919 -6.567 1.00 0.01 H new ATOM 0 HA VAL A 160 1.061 13.776 -4.028 1.00 0.02 H new ATOM 0 HB VAL A 160 -0.193 16.130 -5.513 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -0.732 16.932 -3.231 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -1.505 15.362 -3.555 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -0.043 15.442 -2.544 1.00 0.86 H new ATOM 0 HG21 VAL A 160 1.480 17.471 -4.264 1.00 0.74 H new ATOM 0 HG22 VAL A 160 2.165 15.978 -3.578 1.00 0.74 H new ATOM 0 HG23 VAL A 160 2.278 16.288 -5.327 1.00 0.74 H new ATOM 2571 N ASP A 161 -1.095 13.221 -6.372 1.00 0.00 N ATOM 2572 CA ASP A 161 -2.393 12.547 -6.646 1.00 0.01 C ATOM 2573 C ASP A 161 -2.428 11.116 -6.079 1.00 0.01 C ATOM 2574 O ASP A 161 -3.496 10.571 -5.882 1.00 0.01 O ATOM 2575 CB ASP A 161 -2.630 12.491 -8.156 1.00 0.00 C ATOM 2576 CG ASP A 161 -4.083 12.100 -8.433 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -4.773 11.751 -7.489 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -4.480 12.158 -9.585 1.00 0.00 O ATOM 0 H ASP A 161 -0.529 13.433 -7.193 1.00 0.00 H new ATOM 0 HA ASP A 161 -3.176 13.125 -6.156 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -2.412 13.460 -8.605 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -1.955 11.768 -8.614 1.00 0.00 H new ATOM 2583 N TRP A 162 -1.290 10.510 -5.778 1.00 0.01 N ATOM 2584 CA TRP A 162 -1.324 9.119 -5.186 1.00 0.01 C ATOM 2585 C TRP A 162 -1.078 9.187 -3.673 1.00 0.01 C ATOM 2586 O TRP A 162 -0.853 8.184 -3.025 1.00 0.01 O ATOM 2587 CB TRP A 162 -0.328 8.151 -5.856 1.00 0.01 C ATOM 2588 CG TRP A 162 1.018 8.756 -6.070 1.00 0.02 C ATOM 2589 CD1 TRP A 162 1.754 9.400 -5.139 1.00 0.01 C ATOM 2590 CD2 TRP A 162 1.820 8.734 -7.284 1.00 0.01 C ATOM 2591 NE1 TRP A 162 2.954 9.788 -5.713 1.00 0.01 N ATOM 2592 CE2 TRP A 162 3.040 9.399 -7.033 1.00 0.01 C ATOM 2593 CE3 TRP A 162 1.603 8.211 -8.571 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 4.014 9.541 -8.022 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 2.579 8.351 -9.569 1.00 0.01 C ATOM 2596 CH2 TRP A 162 3.782 9.015 -9.293 1.00 0.01 C ATOM 0 H TRP A 162 -0.360 10.907 -5.913 1.00 0.01 H new ATOM 0 HA TRP A 162 -2.318 8.715 -5.378 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -0.225 7.259 -5.238 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -0.732 7.829 -6.816 1.00 0.01 H new ATOM 0 HD1 TRP A 162 1.457 9.582 -4.117 1.00 0.01 H new ATOM 0 HE1 TRP A 162 3.685 10.299 -5.219 1.00 0.01 H new ATOM 0 HE3 TRP A 162 0.679 7.698 -8.793 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 4.940 10.054 -7.805 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 2.403 7.945 -10.554 1.00 0.01 H new ATOM 0 HH2 TRP A 162 4.530 9.120 -10.065 1.00 0.01 H new ATOM 2607 N GLY A 163 -1.187 10.358 -3.098 1.00 0.02 N ATOM 2608 CA GLY A 163 -1.036 10.495 -1.614 1.00 0.01 C ATOM 2609 C GLY A 163 0.424 10.671 -1.170 1.00 0.01 C ATOM 2610 O GLY A 163 0.723 10.595 0.005 1.00 0.01 O ATOM 0 H GLY A 163 -1.375 11.230 -3.593 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -1.619 11.351 -1.273 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -1.453 9.612 -1.129 1.00 0.01 H new ATOM 2614 N ALA A 164 1.338 10.896 -2.080 1.00 0.01 N ATOM 2615 CA ALA A 164 2.777 11.061 -1.677 1.00 0.02 C ATOM 2616 C ALA A 164 3.154 12.544 -1.661 1.00 0.01 C ATOM 2617 O ALA A 164 2.752 13.313 -2.508 1.00 0.02 O ATOM 2618 CB ALA A 164 3.668 10.367 -2.703 1.00 0.01 C ATOM 0 H ALA A 164 1.156 10.973 -3.081 1.00 0.01 H new ATOM 0 HA ALA A 164 2.912 10.630 -0.685 1.00 0.02 H new ATOM 0 HB1 ALA A 164 4.713 10.484 -2.416 1.00 0.01 H new ATOM 0 HB2 ALA A 164 3.419 9.307 -2.743 1.00 0.01 H new ATOM 0 HB3 ALA A 164 3.510 10.814 -3.684 1.00 0.01 H new ATOM 2624 N ALA A 165 3.935 12.941 -0.692 1.00 0.02 N ATOM 2625 CA ALA A 165 4.358 14.367 -0.597 1.00 0.01 C ATOM 2626 C ALA A 165 5.584 14.615 -1.484 1.00 0.02 C ATOM 2627 O ALA A 165 6.009 15.741 -1.651 1.00 0.01 O ATOM 2628 CB ALA A 165 4.715 14.705 0.853 1.00 0.59 C ATOM 0 H ALA A 165 4.300 12.334 0.042 1.00 0.02 H new ATOM 0 HA ALA A 165 3.535 14.998 -0.932 1.00 0.01 H new ATOM 0 HB1 ALA A 165 5.024 15.748 0.918 1.00 0.59 H new ATOM 0 HB2 ALA A 165 3.845 14.544 1.489 1.00 0.59 H new ATOM 0 HB3 ALA A 165 5.531 14.064 1.186 1.00 0.59 H new ATOM 2634 N SER A 166 6.160 13.583 -2.058 1.00 0.01 N ATOM 2635 CA SER A 166 7.360 13.778 -2.939 1.00 0.01 C ATOM 2636 C SER A 166 7.280 12.823 -4.149 1.00 0.02 C ATOM 2637 O SER A 166 6.729 11.745 -4.038 1.00 0.01 O ATOM 2638 CB SER A 166 8.626 13.467 -2.137 1.00 0.72 C ATOM 2639 OG SER A 166 8.853 12.064 -2.143 1.00 0.87 O ATOM 0 H SER A 166 5.852 12.616 -1.955 1.00 0.01 H new ATOM 0 HA SER A 166 7.386 14.809 -3.293 1.00 0.01 H new ATOM 0 HB2 SER A 166 9.481 13.987 -2.569 1.00 0.72 H new ATOM 0 HB3 SER A 166 8.519 13.825 -1.113 1.00 0.72 H new ATOM 0 HG SER A 166 9.664 11.862 -1.632 1.00 0.87 H new ATOM 2645 N PRO A 167 7.836 13.183 -5.297 1.00 0.02 N ATOM 2646 CA PRO A 167 7.802 12.277 -6.483 1.00 0.01 C ATOM 2647 C PRO A 167 8.798 11.118 -6.344 1.00 0.01 C ATOM 2648 O PRO A 167 9.138 10.462 -7.311 1.00 0.01 O ATOM 2649 CB PRO A 167 8.236 13.219 -7.617 1.00 0.38 C ATOM 2650 CG PRO A 167 8.995 14.386 -6.970 1.00 0.35 C ATOM 2651 CD PRO A 167 8.519 14.497 -5.511 1.00 0.22 C ATOM 0 HA PRO A 167 6.831 11.804 -6.633 1.00 0.01 H new ATOM 0 HB2 PRO A 167 8.872 12.695 -8.331 1.00 0.38 H new ATOM 0 HB3 PRO A 167 7.369 13.582 -8.169 1.00 0.38 H new ATOM 0 HG2 PRO A 167 10.070 14.213 -7.010 1.00 0.35 H new ATOM 0 HG3 PRO A 167 8.801 15.314 -7.508 1.00 0.35 H new ATOM 0 HD2 PRO A 167 9.351 14.640 -4.822 1.00 0.22 H new ATOM 0 HD3 PRO A 167 7.839 15.337 -5.368 1.00 0.22 H new ATOM 2659 N ALA A 168 9.300 10.886 -5.162 1.00 0.01 N ATOM 2660 CA ALA A 168 10.307 9.800 -4.999 1.00 0.01 C ATOM 2661 C ALA A 168 9.628 8.436 -4.883 1.00 0.01 C ATOM 2662 O ALA A 168 8.828 8.182 -4.006 1.00 0.02 O ATOM 2663 CB ALA A 168 11.120 10.056 -3.730 1.00 0.18 C ATOM 0 H ALA A 168 9.060 11.395 -4.311 1.00 0.01 H new ATOM 0 HA ALA A 168 10.955 9.796 -5.876 1.00 0.01 H new ATOM 0 HB1 ALA A 168 11.859 9.264 -3.605 1.00 0.18 H new ATOM 0 HB2 ALA A 168 11.628 11.017 -3.811 1.00 0.18 H new ATOM 0 HB3 ALA A 168 10.454 10.070 -2.868 1.00 0.18 H new ATOM 2669 N ILE A 169 10.000 7.559 -5.775 1.00 0.01 N ATOM 2670 CA ILE A 169 9.466 6.169 -5.795 1.00 0.01 C ATOM 2671 C ILE A 169 10.552 5.304 -6.438 1.00 0.01 C ATOM 2672 O ILE A 169 11.015 5.595 -7.524 1.00 0.01 O ATOM 2673 CB ILE A 169 8.157 6.130 -6.617 1.00 1.81 C ATOM 2674 CG1 ILE A 169 6.966 6.694 -5.772 1.00 2.75 C ATOM 2675 CG2 ILE A 169 7.852 4.684 -7.058 1.00 2.24 C ATOM 2676 CD1 ILE A 169 6.639 8.134 -6.192 1.00 3.99 C ATOM 0 H ILE A 169 10.674 7.757 -6.514 1.00 0.01 H new ATOM 0 HA ILE A 169 9.230 5.804 -4.796 1.00 0.01 H new ATOM 0 HB ILE A 169 8.283 6.753 -7.503 1.00 1.81 H new ATOM 0 HG12 ILE A 169 6.088 6.062 -5.905 1.00 2.75 H new ATOM 0 HG13 ILE A 169 7.220 6.667 -4.712 1.00 2.75 H new ATOM 0 HG21 ILE A 169 6.928 4.667 -7.636 1.00 2.24 H new ATOM 0 HG22 ILE A 169 8.671 4.310 -7.672 1.00 2.24 H new ATOM 0 HG23 ILE A 169 7.741 4.051 -6.178 1.00 2.24 H new ATOM 0 HD11 ILE A 169 5.809 8.508 -5.593 1.00 3.99 H new ATOM 0 HD12 ILE A 169 7.513 8.766 -6.035 1.00 3.99 H new ATOM 0 HD13 ILE A 169 6.363 8.152 -7.246 1.00 3.99 H new ATOM 2688 N GLN A 170 10.997 4.276 -5.756 1.00 0.01 N ATOM 2689 CA GLN A 170 12.102 3.421 -6.301 1.00 0.01 C ATOM 2690 C GLN A 170 11.619 2.017 -6.678 1.00 0.02 C ATOM 2691 O GLN A 170 12.347 1.290 -7.325 1.00 0.01 O ATOM 2692 CB GLN A 170 13.208 3.310 -5.237 1.00 2.62 C ATOM 2693 CG GLN A 170 14.071 4.582 -5.235 1.00 3.39 C ATOM 2694 CD GLN A 170 13.176 5.827 -5.238 1.00 4.36 C ATOM 2695 OE1 GLN A 170 12.572 6.159 -4.238 1.00 4.83 O ATOM 2696 NE2 GLN A 170 13.068 6.533 -6.330 1.00 5.17 N ATOM 0 H GLN A 170 10.643 3.991 -4.843 1.00 0.01 H new ATOM 0 HA GLN A 170 12.477 3.891 -7.210 1.00 0.01 H new ATOM 0 HB2 GLN A 170 12.763 3.162 -4.253 1.00 2.62 H new ATOM 0 HB3 GLN A 170 13.831 2.439 -5.439 1.00 2.62 H new ATOM 0 HG2 GLN A 170 14.717 4.591 -4.357 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.722 4.590 -6.109 1.00 3.39 H new ATOM 0 HE21 GLN A 170 13.575 6.254 -7.170 1.00 5.17 H new ATOM 0 HE22 GLN A 170 12.476 7.364 -6.344 1.00 5.17 H new ATOM 2705 N SER A 171 10.435 1.584 -6.318 1.00 0.01 N ATOM 2706 CA SER A 171 10.037 0.198 -6.725 1.00 0.01 C ATOM 2707 C SER A 171 8.512 0.085 -6.752 1.00 0.01 C ATOM 2708 O SER A 171 7.810 0.845 -6.117 1.00 0.01 O ATOM 2709 CB SER A 171 10.610 -0.805 -5.722 1.00 0.01 C ATOM 2710 OG SER A 171 10.368 -2.126 -6.189 1.00 0.02 O ATOM 0 H SER A 171 9.747 2.109 -5.778 1.00 0.01 H new ATOM 0 HA SER A 171 10.427 -0.016 -7.720 1.00 0.01 H new ATOM 0 HB2 SER A 171 11.680 -0.641 -5.597 1.00 0.01 H new ATOM 0 HB3 SER A 171 10.150 -0.662 -4.744 1.00 0.01 H new ATOM 0 HG SER A 171 10.426 -2.143 -7.167 1.00 0.02 H new ATOM 2716 N PHE A 172 7.993 -0.878 -7.474 1.00 0.01 N ATOM 2717 CA PHE A 172 6.507 -1.053 -7.526 1.00 0.01 C ATOM 2718 C PHE A 172 6.156 -2.519 -7.790 1.00 0.01 C ATOM 2719 O PHE A 172 6.931 -3.266 -8.356 1.00 0.01 O ATOM 2720 CB PHE A 172 5.896 -0.158 -8.613 1.00 1.06 C ATOM 2721 CG PHE A 172 6.506 -0.449 -9.965 1.00 0.75 C ATOM 2722 CD1 PHE A 172 6.117 -1.588 -10.680 1.00 0.75 C ATOM 2723 CD2 PHE A 172 7.442 0.436 -10.515 1.00 1.29 C ATOM 2724 CE1 PHE A 172 6.667 -1.845 -11.941 1.00 1.16 C ATOM 2725 CE2 PHE A 172 7.988 0.182 -11.778 1.00 2.02 C ATOM 2726 CZ PHE A 172 7.601 -0.958 -12.491 1.00 1.92 C ATOM 0 H PHE A 172 8.530 -1.547 -8.026 1.00 0.01 H new ATOM 0 HA PHE A 172 6.091 -0.759 -6.562 1.00 0.01 H new ATOM 0 HB2 PHE A 172 4.818 -0.316 -8.655 1.00 1.06 H new ATOM 0 HB3 PHE A 172 6.054 0.890 -8.357 1.00 1.06 H new ATOM 0 HD1 PHE A 172 5.392 -2.269 -10.258 1.00 0.75 H new ATOM 0 HD2 PHE A 172 7.742 1.315 -9.964 1.00 1.29 H new ATOM 0 HE1 PHE A 172 6.371 -2.727 -12.490 1.00 1.16 H new ATOM 0 HE2 PHE A 172 8.708 0.866 -12.202 1.00 2.02 H new ATOM 0 HZ PHE A 172 8.023 -1.154 -13.466 1.00 1.92 H new ATOM 2736 N ARG A 173 4.997 -2.945 -7.351 1.00 0.01 N ATOM 2737 CA ARG A 173 4.592 -4.372 -7.543 1.00 0.01 C ATOM 2738 C ARG A 173 3.089 -4.456 -7.811 1.00 0.01 C ATOM 2739 O ARG A 173 2.306 -3.665 -7.323 1.00 0.01 O ATOM 2740 CB ARG A 173 4.875 -5.156 -6.258 1.00 0.01 C ATOM 2741 CG ARG A 173 6.379 -5.312 -6.034 1.00 0.01 C ATOM 2742 CD ARG A 173 6.599 -6.309 -4.895 1.00 0.01 C ATOM 2743 NE ARG A 173 5.716 -5.951 -3.750 1.00 0.01 N ATOM 2744 CZ ARG A 173 5.506 -6.810 -2.792 1.00 0.01 C ATOM 2745 NH1 ARG A 173 6.080 -7.980 -2.826 1.00 0.01 N ATOM 2746 NH2 ARG A 173 4.725 -6.496 -1.796 1.00 0.01 N ATOM 0 H ARG A 173 4.312 -2.364 -6.867 1.00 0.01 H new ATOM 0 HA ARG A 173 5.152 -4.783 -8.383 1.00 0.01 H new ATOM 0 HB2 ARG A 173 4.428 -4.641 -5.407 1.00 0.01 H new ATOM 0 HB3 ARG A 173 4.408 -6.139 -6.317 1.00 0.01 H new ATOM 0 HG2 ARG A 173 6.863 -5.664 -6.945 1.00 0.01 H new ATOM 0 HG3 ARG A 173 6.827 -4.350 -5.787 1.00 0.01 H new ATOM 0 HD2 ARG A 173 6.380 -7.321 -5.235 1.00 0.01 H new ATOM 0 HD3 ARG A 173 7.643 -6.296 -4.582 1.00 0.01 H new ATOM 0 HE ARG A 173 5.275 -5.032 -3.715 1.00 0.01 H new ATOM 0 HH11 ARG A 173 6.694 -8.224 -3.603 1.00 0.01 H new ATOM 0 HH12 ARG A 173 5.915 -8.651 -2.076 1.00 0.01 H new ATOM 0 HH21 ARG A 173 4.279 -5.579 -1.767 1.00 0.01 H new ATOM 0 HH22 ARG A 173 4.560 -7.167 -1.046 1.00 0.01 H new ATOM 2760 N ARG A 174 2.682 -5.436 -8.571 1.00 0.01 N ATOM 2761 CA ARG A 174 1.231 -5.608 -8.857 1.00 0.01 C ATOM 2762 C ARG A 174 0.617 -6.454 -7.741 1.00 0.01 C ATOM 2763 O ARG A 174 1.209 -7.409 -7.279 1.00 0.01 O ATOM 2764 CB ARG A 174 1.048 -6.335 -10.190 1.00 0.01 C ATOM 2765 CG ARG A 174 1.759 -7.687 -10.140 1.00 0.01 C ATOM 2766 CD ARG A 174 1.748 -8.318 -11.533 1.00 0.01 C ATOM 2767 NE ARG A 174 0.354 -8.700 -11.895 1.00 0.01 N ATOM 2768 CZ ARG A 174 0.055 -8.971 -13.134 1.00 0.01 C ATOM 2769 NH1 ARG A 174 0.975 -8.909 -14.059 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -1.167 -9.307 -13.451 1.00 0.01 N ATOM 0 H ARG A 174 3.294 -6.126 -9.007 1.00 0.01 H new ATOM 0 HA ARG A 174 0.747 -4.633 -8.911 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -0.013 -6.478 -10.395 1.00 0.01 H new ATOM 0 HB3 ARG A 174 1.451 -5.731 -11.003 1.00 0.01 H new ATOM 0 HG2 ARG A 174 2.785 -7.558 -9.795 1.00 0.01 H new ATOM 0 HG3 ARG A 174 1.263 -8.345 -9.427 1.00 0.01 H new ATOM 0 HD2 ARG A 174 2.146 -7.615 -12.265 1.00 0.01 H new ATOM 0 HD3 ARG A 174 2.393 -9.196 -11.551 1.00 0.01 H new ATOM 0 HE ARG A 174 -0.365 -8.749 -11.174 1.00 0.01 H new ATOM 0 HH11 ARG A 174 1.930 -8.648 -13.812 1.00 0.01 H new ATOM 0 HH12 ARG A 174 0.739 -9.122 -15.028 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -1.886 -9.357 -12.729 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -1.402 -9.519 -14.420 1.00 0.01 H new ATOM 2784 N ILE A 175 -0.572 -6.124 -7.314 1.00 0.01 N ATOM 2785 CA ILE A 175 -1.222 -6.933 -6.235 1.00 0.01 C ATOM 2786 C ILE A 175 -2.114 -7.999 -6.873 1.00 0.00 C ATOM 2787 O ILE A 175 -2.920 -7.712 -7.735 1.00 0.01 O ATOM 2788 CB ILE A 175 -2.073 -6.048 -5.329 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -1.243 -4.851 -4.846 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -2.524 -6.868 -4.121 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -2.112 -3.875 -4.024 1.00 3.04 C ATOM 0 H ILE A 175 -1.120 -5.337 -7.660 1.00 0.01 H new ATOM 0 HA ILE A 175 -0.442 -7.400 -5.634 1.00 0.01 H new ATOM 0 HB ILE A 175 -2.940 -5.685 -5.881 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -0.410 -5.203 -4.238 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -0.815 -4.330 -5.703 1.00 2.51 H new ATOM 0 HG21 ILE A 175 -3.133 -6.246 -3.466 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -3.111 -7.722 -4.459 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -1.650 -7.222 -3.575 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.502 -3.035 -3.693 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -2.930 -3.507 -4.643 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -2.518 -4.393 -3.155 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.969 -9.231 -6.456 1.00 0.01 N ATOM 2804 CA VAL A 176 -2.798 -10.336 -7.032 1.00 0.00 C ATOM 2805 C VAL A 176 -3.294 -11.246 -5.907 1.00 0.01 C ATOM 2806 O VAL A 176 -2.635 -11.426 -4.903 1.00 0.00 O ATOM 2807 CB VAL A 176 -1.947 -11.161 -7.999 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -1.620 -10.324 -9.235 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -0.646 -11.575 -7.306 1.00 1.89 C ATOM 0 H VAL A 176 -1.308 -9.522 -5.736 1.00 0.01 H new ATOM 0 HA VAL A 176 -3.649 -9.907 -7.561 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.500 -12.051 -8.300 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -1.014 -10.913 -9.923 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -2.545 -10.028 -9.729 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -1.067 -9.433 -8.936 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -0.038 -12.163 -7.994 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -0.094 -10.684 -7.005 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -0.878 -12.173 -6.425 1.00 1.89 H new ATOM 2819 N GLU A 177 -4.454 -11.824 -6.067 1.00 0.01 N ATOM 2820 CA GLU A 177 -5.001 -12.724 -5.013 1.00 0.01 C ATOM 2821 C GLU A 177 -4.875 -12.048 -3.646 1.00 0.01 C ATOM 2822 O GLU A 177 -4.405 -12.638 -2.693 1.00 0.01 O ATOM 2823 CB GLU A 177 -4.218 -14.038 -5.008 1.00 2.15 C ATOM 2824 CG GLU A 177 -4.532 -14.822 -6.284 1.00 3.19 C ATOM 2825 CD GLU A 177 -3.603 -16.032 -6.380 1.00 4.20 C ATOM 2826 OE1 GLU A 177 -2.662 -16.091 -5.608 1.00 4.89 O ATOM 2827 OE2 GLU A 177 -3.848 -16.877 -7.224 1.00 4.77 O ATOM 0 H GLU A 177 -5.049 -11.710 -6.888 1.00 0.01 H new ATOM 0 HA GLU A 177 -6.052 -12.928 -5.220 1.00 0.01 H new ATOM 0 HB2 GLU A 177 -3.149 -13.837 -4.946 1.00 2.15 H new ATOM 0 HB3 GLU A 177 -4.483 -14.628 -4.131 1.00 2.15 H new ATOM 0 HG2 GLU A 177 -5.572 -15.148 -6.277 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -4.405 -14.182 -7.157 1.00 3.19 H new