USER MOD reduce.3.24.130724 H: found=0, std=0, add=1133, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1136 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 SER OG : rot -76:sc= 0.774 USER MOD Set 1.2: A 119 MET CE :methyl -172:sc= -2.01 (180deg=-2.44) USER MOD Set 2.1: A 75 THR OG1 : rot 1:sc= 1.06 USER MOD Set 2.2: A 78 THR OG1 : rot -130:sc= 1.86 USER MOD Single : A 4 SER OG : rot 24:sc= 1.08 USER MOD Single : A 5 ASN : amide:sc= 1.45 K(o=1.4,f=-3.4!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 169:sc=-0.00669 (180deg=-0.134) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc=-0.00551 K(o=-0.0055,f=-0.62) USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= -0.0455 (180deg=-0.324) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.593 K(o=0.59,f=-0.1) USER MOD Single : A 43 SER OG : rot 165:sc= 1.23 USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= 1.14 (180deg=1) USER MOD Single : A 48 GLN : amide:sc= -0.0528 K(o=-0.053,f=-0.68) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 70:sc= 0.984 USER MOD Single : A 69 THR OG1 : rot -85:sc= 1.29 USER MOD Single : A 70 SER OG : rot -81:sc= 1.23 USER MOD Single : A 71 GLN : amide:sc= -0.955 K(o=-0.96,f=0) USER MOD Single : A 73 HIS : no HE2:sc= 0.545 K(o=0.54,f=-5.9!) USER MOD Single : A 80 TYR OH : rot -134:sc= 1.01 USER MOD Single : A 81 GLN : amide:sc= 0.338 X(o=0.34,f=-0.12) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 96 ASN : amide:sc= -1.04 K(o=-1,f=-0.011) USER MOD Single : A 105 SER OG : rot 73:sc= 1.14 USER MOD Single : A 111 CYS SG : rot 74:sc= -2.85! USER MOD Single : A 117 LYS NZ :NH3+ -163:sc= -0.0419 (180deg=-0.335) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl 180:sc= -3.33! (180deg=-3.33!) USER MOD Single : A 132 THR OG1 : rot 69:sc= 1.13 USER MOD Single : A 133 TYR OH : rot 76:sc= 0.683 USER MOD Single : A 135 ASN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 137 HIS : no HD1:sc= -0.464 X(o=-0.46,f=0) USER MOD Single : A 143 GLN : amide:sc= -5.24! K(o=-5.2!,f=-0.77) USER MOD Single : A 145 ASN : amide:sc= 0.985 K(o=0.98,f=0) USER MOD Single : A 150 THR OG1 : rot -172:sc= 0.343 USER MOD Single : A 157 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 163 SER OG : rot 64:sc= 0.708 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 GLN : amide:sc= -0.308 K(o=-0.31,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 4 6.246 -0.612 13.143 1.00 0.88 N ATOM 49 CA SER A 4 4.809 -0.524 12.923 1.00 0.77 C ATOM 50 C SER A 4 4.546 -0.092 11.484 1.00 0.62 C ATOM 51 O SER A 4 3.585 -0.524 10.851 1.00 0.64 O ATOM 52 CB SER A 4 4.161 0.454 13.912 1.00 1.02 C ATOM 53 OG SER A 4 2.750 0.319 13.912 1.00 1.34 O ATOM 0 HA SER A 4 4.362 -1.504 13.091 1.00 0.77 H new ATOM 0 HB2 SER A 4 4.547 0.271 14.915 1.00 1.02 H new ATOM 0 HB3 SER A 4 4.432 1.476 13.648 1.00 1.02 H new ATOM 0 HG SER A 4 2.507 -0.579 13.602 1.00 1.34 H new ATOM 59 N ASN A 5 5.427 0.748 10.961 1.00 0.59 N ATOM 60 CA ASN A 5 5.368 1.127 9.557 1.00 0.55 C ATOM 61 C ASN A 5 5.921 -0.005 8.699 1.00 0.43 C ATOM 62 O ASN A 5 5.500 -0.208 7.561 1.00 0.44 O ATOM 63 CB ASN A 5 6.145 2.425 9.311 1.00 0.65 C ATOM 64 CG ASN A 5 5.376 3.655 9.771 1.00 0.94 C ATOM 65 OD1 ASN A 5 4.145 3.681 9.729 1.00 1.71 O ATOM 66 ND2 ASN A 5 6.089 4.681 10.215 1.00 0.67 N ATOM 0 H ASN A 5 6.189 1.179 11.485 1.00 0.59 H new ATOM 0 HA ASN A 5 4.329 1.305 9.282 1.00 0.55 H new ATOM 0 HB2 ASN A 5 7.100 2.379 9.835 1.00 0.65 H new ATOM 0 HB3 ASN A 5 6.369 2.516 8.248 1.00 0.65 H new ATOM 0 HD21 ASN A 5 5.619 5.528 10.536 1.00 0.67 H new ATOM 0 HD22 ASN A 5 7.107 4.624 10.235 1.00 0.67 H new ATOM 73 N ARG A 6 6.857 -0.757 9.271 1.00 0.41 N ATOM 74 CA ARG A 6 7.416 -1.935 8.621 1.00 0.41 C ATOM 75 C ARG A 6 6.333 -2.997 8.413 1.00 0.37 C ATOM 76 O ARG A 6 6.423 -3.805 7.490 1.00 0.38 O ATOM 77 CB ARG A 6 8.574 -2.493 9.460 1.00 0.54 C ATOM 78 CG ARG A 6 9.203 -3.764 8.903 1.00 0.65 C ATOM 79 CD ARG A 6 10.415 -4.190 9.720 1.00 0.83 C ATOM 80 NE ARG A 6 10.926 -5.500 9.315 1.00 1.50 N ATOM 81 CZ ARG A 6 12.188 -5.730 8.945 1.00 2.14 C ATOM 82 NH1 ARG A 6 13.065 -4.731 8.891 1.00 2.16 N ATOM 83 NH2 ARG A 6 12.573 -6.962 8.631 1.00 3.18 N ATOM 0 H ARG A 6 7.247 -0.567 10.194 1.00 0.41 H new ATOM 0 HA ARG A 6 7.801 -1.651 7.642 1.00 0.41 H new ATOM 0 HB2 ARG A 6 9.346 -1.728 9.545 1.00 0.54 H new ATOM 0 HB3 ARG A 6 8.212 -2.694 10.468 1.00 0.54 H new ATOM 0 HG2 ARG A 6 8.465 -4.566 8.900 1.00 0.65 H new ATOM 0 HG3 ARG A 6 9.500 -3.601 7.867 1.00 0.65 H new ATOM 0 HD2 ARG A 6 11.204 -3.445 9.611 1.00 0.83 H new ATOM 0 HD3 ARG A 6 10.147 -4.218 10.776 1.00 0.83 H new ATOM 0 HE ARG A 6 10.277 -6.287 9.315 1.00 1.50 H new ATOM 0 HH11 ARG A 6 12.774 -3.784 9.133 1.00 2.16 H new ATOM 0 HH12 ARG A 6 14.028 -4.912 8.608 1.00 2.16 H new ATOM 0 HH21 ARG A 6 11.905 -7.731 8.673 1.00 3.18 H new ATOM 0 HH22 ARG A 6 13.537 -7.139 8.348 1.00 3.18 H new ATOM 97 N GLU A 7 5.304 -2.976 9.264 1.00 0.36 N ATOM 98 CA GLU A 7 4.169 -3.890 9.128 1.00 0.37 C ATOM 99 C GLU A 7 3.502 -3.689 7.779 1.00 0.29 C ATOM 100 O GLU A 7 3.184 -4.644 7.074 1.00 0.29 O ATOM 101 CB GLU A 7 3.124 -3.641 10.219 1.00 0.46 C ATOM 102 CG GLU A 7 3.636 -3.808 11.638 1.00 0.60 C ATOM 103 CD GLU A 7 2.569 -3.488 12.665 1.00 1.39 C ATOM 104 OE1 GLU A 7 2.394 -2.298 13.002 1.00 2.00 O ATOM 105 OE2 GLU A 7 1.895 -4.424 13.136 1.00 1.58 O ATOM 0 H GLU A 7 5.234 -2.335 10.055 1.00 0.36 H new ATOM 0 HA GLU A 7 4.552 -4.906 9.220 1.00 0.37 H new ATOM 0 HB2 GLU A 7 2.733 -2.630 10.105 1.00 0.46 H new ATOM 0 HB3 GLU A 7 2.289 -4.324 10.066 1.00 0.46 H new ATOM 0 HG2 GLU A 7 3.982 -4.832 11.781 1.00 0.60 H new ATOM 0 HG3 GLU A 7 4.496 -3.156 11.793 1.00 0.60 H new ATOM 112 N LEU A 8 3.327 -2.425 7.424 1.00 0.27 N ATOM 113 CA LEU A 8 2.619 -2.045 6.215 1.00 0.28 C ATOM 114 C LEU A 8 3.405 -2.462 4.993 1.00 0.28 C ATOM 115 O LEU A 8 2.849 -2.683 3.926 1.00 0.39 O ATOM 116 CB LEU A 8 2.403 -0.537 6.210 1.00 0.31 C ATOM 117 CG LEU A 8 1.737 0.002 7.468 1.00 0.33 C ATOM 118 CD1 LEU A 8 1.653 1.515 7.418 1.00 0.36 C ATOM 119 CD2 LEU A 8 0.359 -0.613 7.626 1.00 0.35 C ATOM 0 H LEU A 8 3.673 -1.634 7.968 1.00 0.27 H new ATOM 0 HA LEU A 8 1.653 -2.550 6.191 1.00 0.28 H new ATOM 0 HB2 LEU A 8 3.367 -0.044 6.083 1.00 0.31 H new ATOM 0 HB3 LEU A 8 1.792 -0.272 5.347 1.00 0.31 H new ATOM 0 HG LEU A 8 2.340 -0.271 8.334 1.00 0.33 H new ATOM 0 HD11 LEU A 8 1.174 1.883 8.325 1.00 0.36 H new ATOM 0 HD12 LEU A 8 2.657 1.933 7.342 1.00 0.36 H new ATOM 0 HD13 LEU A 8 1.068 1.818 6.550 1.00 0.36 H new ATOM 0 HD21 LEU A 8 -0.112 -0.223 8.528 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -0.253 -0.362 6.760 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.451 -1.696 7.704 1.00 0.35 H new ATOM 131 N VAL A 9 4.708 -2.553 5.166 1.00 0.26 N ATOM 132 CA VAL A 9 5.577 -3.052 4.129 1.00 0.28 C ATOM 133 C VAL A 9 5.503 -4.575 4.083 1.00 0.29 C ATOM 134 O VAL A 9 4.966 -5.148 3.141 1.00 0.31 O ATOM 135 CB VAL A 9 7.029 -2.611 4.381 1.00 0.32 C ATOM 136 CG1 VAL A 9 7.949 -3.167 3.313 1.00 0.38 C ATOM 137 CG2 VAL A 9 7.120 -1.096 4.433 1.00 0.31 C ATOM 0 H VAL A 9 5.188 -2.284 6.025 1.00 0.26 H new ATOM 0 HA VAL A 9 5.249 -2.642 3.174 1.00 0.28 H new ATOM 0 HB VAL A 9 7.349 -3.008 5.344 1.00 0.32 H new ATOM 0 HG11 VAL A 9 8.971 -2.844 3.509 1.00 0.38 H new ATOM 0 HG12 VAL A 9 7.904 -4.256 3.325 1.00 0.38 H new ATOM 0 HG13 VAL A 9 7.634 -2.802 2.335 1.00 0.38 H new ATOM 0 HG21 VAL A 9 8.154 -0.800 4.612 1.00 0.31 H new ATOM 0 HG22 VAL A 9 6.782 -0.678 3.485 1.00 0.31 H new ATOM 0 HG23 VAL A 9 6.490 -0.721 5.240 1.00 0.31 H new ATOM 147 N VAL A 10 6.013 -5.210 5.133 1.00 0.30 N ATOM 148 CA VAL A 10 6.124 -6.664 5.207 1.00 0.32 C ATOM 149 C VAL A 10 4.805 -7.366 4.901 1.00 0.35 C ATOM 150 O VAL A 10 4.738 -8.216 4.010 1.00 0.36 O ATOM 151 CB VAL A 10 6.614 -7.094 6.604 1.00 0.37 C ATOM 152 CG1 VAL A 10 6.530 -8.601 6.775 1.00 0.42 C ATOM 153 CG2 VAL A 10 8.035 -6.612 6.836 1.00 0.38 C ATOM 0 H VAL A 10 6.363 -4.729 5.961 1.00 0.30 H new ATOM 0 HA VAL A 10 6.847 -6.962 4.447 1.00 0.32 H new ATOM 0 HB VAL A 10 5.962 -6.635 7.347 1.00 0.37 H new ATOM 0 HG11 VAL A 10 6.882 -8.875 7.770 1.00 0.42 H new ATOM 0 HG12 VAL A 10 5.496 -8.924 6.655 1.00 0.42 H new ATOM 0 HG13 VAL A 10 7.152 -9.088 6.023 1.00 0.42 H new ATOM 0 HG21 VAL A 10 8.368 -6.923 7.826 1.00 0.38 H new ATOM 0 HG22 VAL A 10 8.693 -7.042 6.081 1.00 0.38 H new ATOM 0 HG23 VAL A 10 8.066 -5.525 6.768 1.00 0.38 H new ATOM 163 N ASP A 11 3.759 -7.001 5.628 1.00 0.39 N ATOM 164 CA ASP A 11 2.487 -7.712 5.538 1.00 0.46 C ATOM 165 C ASP A 11 1.822 -7.467 4.185 1.00 0.44 C ATOM 166 O ASP A 11 0.974 -8.243 3.744 1.00 0.50 O ATOM 167 CB ASP A 11 1.557 -7.286 6.680 1.00 0.55 C ATOM 168 CG ASP A 11 0.472 -8.308 6.956 1.00 0.71 C ATOM 169 OD1 ASP A 11 0.798 -9.497 7.130 1.00 0.92 O ATOM 170 OD2 ASP A 11 -0.719 -7.930 6.965 1.00 0.84 O ATOM 0 H ASP A 11 3.763 -6.221 6.285 1.00 0.39 H new ATOM 0 HA ASP A 11 2.684 -8.780 5.630 1.00 0.46 H new ATOM 0 HB2 ASP A 11 2.145 -7.131 7.585 1.00 0.55 H new ATOM 0 HB3 ASP A 11 1.096 -6.330 6.432 1.00 0.55 H new ATOM 175 N PHE A 12 2.230 -6.393 3.516 1.00 0.41 N ATOM 176 CA PHE A 12 1.710 -6.076 2.192 1.00 0.42 C ATOM 177 C PHE A 12 2.507 -6.811 1.117 1.00 0.37 C ATOM 178 O PHE A 12 1.934 -7.347 0.167 1.00 0.41 O ATOM 179 CB PHE A 12 1.757 -4.564 1.937 1.00 0.44 C ATOM 180 CG PHE A 12 0.991 -4.124 0.719 1.00 0.48 C ATOM 181 CD1 PHE A 12 -0.367 -3.858 0.801 1.00 0.62 C ATOM 182 CD2 PHE A 12 1.626 -3.970 -0.505 1.00 0.46 C ATOM 183 CE1 PHE A 12 -1.076 -3.450 -0.313 1.00 0.68 C ATOM 184 CE2 PHE A 12 0.920 -3.563 -1.622 1.00 0.51 C ATOM 185 CZ PHE A 12 -0.433 -3.303 -1.525 1.00 0.60 C ATOM 0 H PHE A 12 2.919 -5.729 3.869 1.00 0.41 H new ATOM 0 HA PHE A 12 0.671 -6.403 2.148 1.00 0.42 H new ATOM 0 HB2 PHE A 12 1.360 -4.046 2.810 1.00 0.44 H new ATOM 0 HB3 PHE A 12 2.797 -4.256 1.830 1.00 0.44 H new ATOM 0 HD1 PHE A 12 -0.877 -3.971 1.746 1.00 0.62 H new ATOM 0 HD2 PHE A 12 2.684 -4.170 -0.586 1.00 0.46 H new ATOM 0 HE1 PHE A 12 -2.134 -3.246 -0.235 1.00 0.68 H new ATOM 0 HE2 PHE A 12 1.426 -3.449 -2.569 1.00 0.51 H new ATOM 0 HZ PHE A 12 -0.987 -2.985 -2.396 1.00 0.60 H new ATOM 195 N LEU A 13 3.831 -6.849 1.273 1.00 0.33 N ATOM 196 CA LEU A 13 4.690 -7.530 0.309 1.00 0.32 C ATOM 197 C LEU A 13 4.392 -9.022 0.324 1.00 0.33 C ATOM 198 O LEU A 13 4.420 -9.690 -0.712 1.00 0.35 O ATOM 199 CB LEU A 13 6.170 -7.294 0.629 1.00 0.32 C ATOM 200 CG LEU A 13 6.576 -5.836 0.854 1.00 0.34 C ATOM 201 CD1 LEU A 13 8.085 -5.716 0.983 1.00 0.40 C ATOM 202 CD2 LEU A 13 6.059 -4.942 -0.261 1.00 0.38 C ATOM 0 H LEU A 13 4.327 -6.419 2.053 1.00 0.33 H new ATOM 0 HA LEU A 13 4.485 -7.124 -0.682 1.00 0.32 H new ATOM 0 HB2 LEU A 13 6.425 -7.865 1.522 1.00 0.32 H new ATOM 0 HB3 LEU A 13 6.768 -7.696 -0.189 1.00 0.32 H new ATOM 0 HG LEU A 13 6.122 -5.501 1.787 1.00 0.34 H new ATOM 0 HD11 LEU A 13 8.355 -4.672 1.143 1.00 0.40 H new ATOM 0 HD12 LEU A 13 8.426 -6.312 1.829 1.00 0.40 H new ATOM 0 HD13 LEU A 13 8.558 -6.077 0.070 1.00 0.40 H new ATOM 0 HD21 LEU A 13 6.364 -3.913 -0.073 1.00 0.38 H new ATOM 0 HD22 LEU A 13 6.471 -5.274 -1.214 1.00 0.38 H new ATOM 0 HD23 LEU A 13 4.971 -4.998 -0.297 1.00 0.38 H new ATOM 214 N SER A 14 4.088 -9.519 1.517 1.00 0.34 N ATOM 215 CA SER A 14 3.708 -10.911 1.721 1.00 0.38 C ATOM 216 C SER A 14 2.508 -11.284 0.850 1.00 0.39 C ATOM 217 O SER A 14 2.419 -12.404 0.340 1.00 0.41 O ATOM 218 CB SER A 14 3.382 -11.138 3.204 1.00 0.45 C ATOM 219 OG SER A 14 2.943 -12.461 3.454 1.00 1.14 O ATOM 0 H SER A 14 4.098 -8.965 2.374 1.00 0.34 H new ATOM 0 HA SER A 14 4.542 -11.549 1.431 1.00 0.38 H new ATOM 0 HB2 SER A 14 4.267 -10.930 3.806 1.00 0.45 H new ATOM 0 HB3 SER A 14 2.611 -10.435 3.517 1.00 0.45 H new ATOM 0 HG SER A 14 2.747 -12.566 4.408 1.00 1.14 H new ATOM 225 N TYR A 15 1.609 -10.328 0.650 1.00 0.42 N ATOM 226 CA TYR A 15 0.395 -10.573 -0.116 1.00 0.47 C ATOM 227 C TYR A 15 0.716 -10.764 -1.593 1.00 0.45 C ATOM 228 O TYR A 15 0.152 -11.638 -2.250 1.00 0.52 O ATOM 229 CB TYR A 15 -0.602 -9.420 0.063 1.00 0.55 C ATOM 230 CG TYR A 15 -1.839 -9.550 -0.800 1.00 0.66 C ATOM 231 CD1 TYR A 15 -2.812 -10.502 -0.517 1.00 0.79 C ATOM 232 CD2 TYR A 15 -2.032 -8.724 -1.901 1.00 0.78 C ATOM 233 CE1 TYR A 15 -3.939 -10.626 -1.306 1.00 0.96 C ATOM 234 CE2 TYR A 15 -3.157 -8.843 -2.694 1.00 0.94 C ATOM 235 CZ TYR A 15 -4.107 -9.795 -2.392 1.00 1.02 C ATOM 236 OH TYR A 15 -5.230 -9.915 -3.179 1.00 1.20 O ATOM 0 H TYR A 15 1.698 -9.377 1.008 1.00 0.42 H new ATOM 0 HA TYR A 15 -0.060 -11.489 0.261 1.00 0.47 H new ATOM 0 HB2 TYR A 15 -0.903 -9.370 1.109 1.00 0.55 H new ATOM 0 HB3 TYR A 15 -0.103 -8.480 -0.171 1.00 0.55 H new ATOM 0 HD1 TYR A 15 -2.685 -11.155 0.334 1.00 0.79 H new ATOM 0 HD2 TYR A 15 -1.290 -7.977 -2.141 1.00 0.78 H new ATOM 0 HE1 TYR A 15 -4.685 -11.371 -1.073 1.00 0.96 H new ATOM 0 HE2 TYR A 15 -3.291 -8.193 -3.546 1.00 0.94 H new ATOM 0 HH TYR A 15 -5.195 -9.254 -3.902 1.00 1.20 H new ATOM 246 N LYS A 16 1.638 -9.961 -2.109 1.00 0.40 N ATOM 247 CA LYS A 16 1.982 -10.020 -3.521 1.00 0.41 C ATOM 248 C LYS A 16 2.745 -11.299 -3.834 1.00 0.35 C ATOM 249 O LYS A 16 2.537 -11.921 -4.874 1.00 0.39 O ATOM 250 CB LYS A 16 2.794 -8.789 -3.932 1.00 0.49 C ATOM 251 CG LYS A 16 2.031 -7.481 -3.777 1.00 0.90 C ATOM 252 CD LYS A 16 0.710 -7.513 -4.534 1.00 0.83 C ATOM 253 CE LYS A 16 -0.045 -6.197 -4.420 1.00 1.35 C ATOM 254 NZ LYS A 16 0.682 -5.077 -5.071 1.00 1.39 N ATOM 0 H LYS A 16 2.157 -9.266 -1.573 1.00 0.40 H new ATOM 0 HA LYS A 16 1.057 -10.025 -4.098 1.00 0.41 H new ATOM 0 HB2 LYS A 16 3.702 -8.745 -3.331 1.00 0.49 H new ATOM 0 HB3 LYS A 16 3.105 -8.899 -4.971 1.00 0.49 H new ATOM 0 HG2 LYS A 16 1.842 -7.292 -2.720 1.00 0.90 H new ATOM 0 HG3 LYS A 16 2.642 -6.656 -4.144 1.00 0.90 H new ATOM 0 HD2 LYS A 16 0.900 -7.732 -5.585 1.00 0.83 H new ATOM 0 HD3 LYS A 16 0.090 -8.321 -4.147 1.00 0.83 H new ATOM 0 HE2 LYS A 16 -1.029 -6.304 -4.876 1.00 1.35 H new ATOM 0 HE3 LYS A 16 -0.205 -5.962 -3.368 1.00 1.35 H new ATOM 0 HZ1 LYS A 16 0.057 -4.248 -5.135 1.00 1.39 H new ATOM 0 HZ2 LYS A 16 1.522 -4.835 -4.508 1.00 1.39 H new ATOM 0 HZ3 LYS A 16 0.976 -5.363 -6.027 1.00 1.39 H new ATOM 268 N LEU A 17 3.620 -11.697 -2.922 1.00 0.30 N ATOM 269 CA LEU A 17 4.344 -12.950 -3.057 1.00 0.27 C ATOM 270 C LEU A 17 3.394 -14.140 -2.988 1.00 0.31 C ATOM 271 O LEU A 17 3.489 -15.066 -3.796 1.00 0.32 O ATOM 272 CB LEU A 17 5.412 -13.057 -1.971 1.00 0.25 C ATOM 273 CG LEU A 17 6.566 -12.075 -2.125 1.00 0.24 C ATOM 274 CD1 LEU A 17 7.417 -12.065 -0.872 1.00 0.29 C ATOM 275 CD2 LEU A 17 7.402 -12.439 -3.338 1.00 0.25 C ATOM 0 H LEU A 17 3.845 -11.168 -2.079 1.00 0.30 H new ATOM 0 HA LEU A 17 4.829 -12.963 -4.033 1.00 0.27 H new ATOM 0 HB2 LEU A 17 4.943 -12.898 -1.000 1.00 0.25 H new ATOM 0 HB3 LEU A 17 5.812 -14.071 -1.970 1.00 0.25 H new ATOM 0 HG LEU A 17 6.161 -11.074 -2.272 1.00 0.24 H new ATOM 0 HD11 LEU A 17 8.238 -11.359 -0.996 1.00 0.29 H new ATOM 0 HD12 LEU A 17 6.807 -11.766 -0.020 1.00 0.29 H new ATOM 0 HD13 LEU A 17 7.820 -13.063 -0.698 1.00 0.29 H new ATOM 0 HD21 LEU A 17 8.224 -11.731 -3.439 1.00 0.25 H new ATOM 0 HD22 LEU A 17 7.803 -13.445 -3.215 1.00 0.25 H new ATOM 0 HD23 LEU A 17 6.780 -12.403 -4.233 1.00 0.25 H new ATOM 287 N SER A 18 2.463 -14.105 -2.037 1.00 0.37 N ATOM 288 CA SER A 18 1.485 -15.180 -1.888 1.00 0.44 C ATOM 289 C SER A 18 0.589 -15.242 -3.126 1.00 0.47 C ATOM 290 O SER A 18 0.128 -16.312 -3.526 1.00 0.51 O ATOM 291 CB SER A 18 0.642 -14.973 -0.618 1.00 0.54 C ATOM 292 OG SER A 18 -0.176 -16.103 -0.349 1.00 1.26 O ATOM 0 H SER A 18 2.365 -13.348 -1.361 1.00 0.37 H new ATOM 0 HA SER A 18 2.015 -16.127 -1.790 1.00 0.44 H new ATOM 0 HB2 SER A 18 1.300 -14.788 0.231 1.00 0.54 H new ATOM 0 HB3 SER A 18 0.016 -14.088 -0.735 1.00 0.54 H new ATOM 0 HG SER A 18 -0.699 -15.942 0.464 1.00 1.26 H new ATOM 298 N GLN A 19 0.373 -14.085 -3.746 1.00 0.48 N ATOM 299 CA GLN A 19 -0.400 -13.993 -4.976 1.00 0.53 C ATOM 300 C GLN A 19 0.342 -14.681 -6.120 1.00 0.48 C ATOM 301 O GLN A 19 -0.269 -15.293 -6.994 1.00 0.55 O ATOM 302 CB GLN A 19 -0.658 -12.516 -5.298 1.00 0.59 C ATOM 303 CG GLN A 19 -1.295 -12.254 -6.654 1.00 0.71 C ATOM 304 CD GLN A 19 -2.613 -12.983 -6.855 1.00 1.06 C ATOM 305 OE1 GLN A 19 -3.329 -13.279 -5.899 1.00 1.72 O ATOM 306 NE2 GLN A 19 -2.947 -13.270 -8.106 1.00 1.65 N ATOM 0 H GLN A 19 0.728 -13.190 -3.410 1.00 0.48 H new ATOM 0 HA GLN A 19 -1.357 -14.500 -4.847 1.00 0.53 H new ATOM 0 HB2 GLN A 19 -1.302 -12.099 -4.524 1.00 0.59 H new ATOM 0 HB3 GLN A 19 0.289 -11.978 -5.249 1.00 0.59 H new ATOM 0 HG2 GLN A 19 -1.460 -11.183 -6.768 1.00 0.71 H new ATOM 0 HG3 GLN A 19 -0.599 -12.554 -7.438 1.00 0.71 H new ATOM 0 HE21 GLN A 19 -2.327 -13.008 -8.872 1.00 1.65 H new ATOM 0 HE22 GLN A 19 -3.824 -13.753 -8.302 1.00 1.65 H new ATOM 315 N LYS A 20 1.664 -14.602 -6.077 1.00 0.41 N ATOM 316 CA LYS A 20 2.516 -15.193 -7.104 1.00 0.40 C ATOM 317 C LYS A 20 2.834 -16.657 -6.793 1.00 0.44 C ATOM 318 O LYS A 20 3.514 -17.333 -7.566 1.00 0.48 O ATOM 319 CB LYS A 20 3.809 -14.386 -7.223 1.00 0.36 C ATOM 320 CG LYS A 20 3.592 -12.974 -7.738 1.00 0.68 C ATOM 321 CD LYS A 20 3.394 -12.956 -9.246 1.00 0.61 C ATOM 322 CE LYS A 20 2.897 -11.604 -9.739 1.00 1.06 C ATOM 323 NZ LYS A 20 1.522 -11.305 -9.254 1.00 1.87 N ATOM 0 H LYS A 20 2.177 -14.129 -5.333 1.00 0.41 H new ATOM 0 HA LYS A 20 1.979 -15.166 -8.052 1.00 0.40 H new ATOM 0 HB2 LYS A 20 4.291 -14.339 -6.246 1.00 0.36 H new ATOM 0 HB3 LYS A 20 4.494 -14.908 -7.891 1.00 0.36 H new ATOM 0 HG2 LYS A 20 2.721 -12.537 -7.250 1.00 0.68 H new ATOM 0 HG3 LYS A 20 4.449 -12.354 -7.475 1.00 0.68 H new ATOM 0 HD2 LYS A 20 4.336 -13.198 -9.738 1.00 0.61 H new ATOM 0 HD3 LYS A 20 2.680 -13.730 -9.527 1.00 0.61 H new ATOM 0 HE2 LYS A 20 3.578 -10.823 -9.402 1.00 1.06 H new ATOM 0 HE3 LYS A 20 2.908 -11.589 -10.829 1.00 1.06 H new ATOM 0 HZ1 LYS A 20 1.105 -10.551 -9.836 1.00 1.87 H new ATOM 0 HZ2 LYS A 20 0.935 -12.161 -9.324 1.00 1.87 H new ATOM 0 HZ3 LYS A 20 1.564 -10.994 -8.262 1.00 1.87 H new ATOM 337 N GLY A 21 2.344 -17.138 -5.658 1.00 0.48 N ATOM 338 CA GLY A 21 2.542 -18.532 -5.298 1.00 0.54 C ATOM 339 C GLY A 21 3.813 -18.770 -4.502 1.00 0.53 C ATOM 340 O GLY A 21 4.399 -19.853 -4.568 1.00 0.67 O ATOM 0 H GLY A 21 1.814 -16.591 -4.980 1.00 0.48 H new ATOM 0 HA2 GLY A 21 1.687 -18.875 -4.716 1.00 0.54 H new ATOM 0 HA3 GLY A 21 2.572 -19.134 -6.206 1.00 0.54 H new ATOM 344 N TYR A 22 4.260 -17.758 -3.770 1.00 0.43 N ATOM 345 CA TYR A 22 5.402 -17.911 -2.876 1.00 0.42 C ATOM 346 C TYR A 22 4.984 -17.599 -1.444 1.00 0.43 C ATOM 347 O TYR A 22 4.187 -16.694 -1.207 1.00 0.46 O ATOM 348 CB TYR A 22 6.556 -16.994 -3.299 1.00 0.40 C ATOM 349 CG TYR A 22 7.077 -17.268 -4.693 1.00 0.48 C ATOM 350 CD1 TYR A 22 7.438 -18.551 -5.087 1.00 0.65 C ATOM 351 CD2 TYR A 22 7.192 -16.242 -5.619 1.00 0.47 C ATOM 352 CE1 TYR A 22 7.904 -18.799 -6.363 1.00 0.75 C ATOM 353 CE2 TYR A 22 7.654 -16.482 -6.897 1.00 0.57 C ATOM 354 CZ TYR A 22 8.009 -17.762 -7.264 1.00 0.69 C ATOM 355 OH TYR A 22 8.465 -18.008 -8.540 1.00 0.81 O ATOM 0 H TYR A 22 3.851 -16.824 -3.777 1.00 0.43 H new ATOM 0 HA TYR A 22 5.749 -18.943 -2.934 1.00 0.42 H new ATOM 0 HB2 TYR A 22 6.223 -15.958 -3.243 1.00 0.40 H new ATOM 0 HB3 TYR A 22 7.374 -17.104 -2.588 1.00 0.40 H new ATOM 0 HD1 TYR A 22 7.353 -19.367 -4.384 1.00 0.65 H new ATOM 0 HD2 TYR A 22 6.915 -15.237 -5.335 1.00 0.47 H new ATOM 0 HE1 TYR A 22 8.185 -19.801 -6.653 1.00 0.75 H new ATOM 0 HE2 TYR A 22 7.737 -15.671 -7.606 1.00 0.57 H new ATOM 0 HH TYR A 22 8.478 -17.171 -9.050 1.00 0.81 H new ATOM 365 N SER A 23 5.515 -18.352 -0.493 1.00 0.45 N ATOM 366 CA SER A 23 5.149 -18.181 0.903 1.00 0.49 C ATOM 367 C SER A 23 6.159 -17.294 1.632 1.00 0.43 C ATOM 368 O SER A 23 7.351 -17.605 1.682 1.00 0.44 O ATOM 369 CB SER A 23 5.055 -19.545 1.581 1.00 0.59 C ATOM 370 OG SER A 23 4.134 -20.383 0.902 1.00 1.41 O ATOM 0 H SER A 23 6.201 -19.087 -0.663 1.00 0.45 H new ATOM 0 HA SER A 23 4.178 -17.688 0.948 1.00 0.49 H new ATOM 0 HB2 SER A 23 6.038 -20.016 1.598 1.00 0.59 H new ATOM 0 HB3 SER A 23 4.743 -19.420 2.618 1.00 0.59 H new ATOM 0 HG SER A 23 4.090 -21.253 1.352 1.00 1.41 H new ATOM 376 N TRP A 24 5.671 -16.197 2.202 1.00 0.43 N ATOM 377 CA TRP A 24 6.527 -15.238 2.899 1.00 0.41 C ATOM 378 C TRP A 24 7.255 -15.891 4.070 1.00 0.47 C ATOM 379 O TRP A 24 8.465 -15.714 4.231 1.00 0.53 O ATOM 380 CB TRP A 24 5.707 -14.038 3.396 1.00 0.44 C ATOM 381 CG TRP A 24 6.493 -13.103 4.272 1.00 0.46 C ATOM 382 CD1 TRP A 24 6.434 -13.014 5.635 1.00 0.55 C ATOM 383 CD2 TRP A 24 7.462 -12.131 3.849 1.00 0.43 C ATOM 384 NE1 TRP A 24 7.305 -12.056 6.083 1.00 0.57 N ATOM 385 CE2 TRP A 24 7.947 -11.497 5.009 1.00 0.50 C ATOM 386 CE3 TRP A 24 7.967 -11.736 2.606 1.00 0.39 C ATOM 387 CZ2 TRP A 24 8.913 -10.494 4.962 1.00 0.51 C ATOM 388 CZ3 TRP A 24 8.924 -10.739 2.561 1.00 0.43 C ATOM 389 CH2 TRP A 24 9.389 -10.128 3.733 1.00 0.48 C ATOM 0 H TRP A 24 4.682 -15.947 2.196 1.00 0.43 H new ATOM 0 HA TRP A 24 7.272 -14.887 2.186 1.00 0.41 H new ATOM 0 HB2 TRP A 24 5.326 -13.486 2.537 1.00 0.44 H new ATOM 0 HB3 TRP A 24 4.842 -14.402 3.950 1.00 0.44 H new ATOM 0 HD1 TRP A 24 5.794 -13.612 6.267 1.00 0.55 H new ATOM 0 HE1 TRP A 24 7.452 -11.800 7.059 1.00 0.57 H new ATOM 0 HE3 TRP A 24 7.616 -12.202 1.697 1.00 0.39 H new ATOM 0 HZ2 TRP A 24 9.273 -10.022 5.864 1.00 0.51 H new ATOM 0 HZ3 TRP A 24 9.320 -10.426 1.606 1.00 0.43 H new ATOM 0 HH2 TRP A 24 10.138 -9.353 3.665 1.00 0.48 H new ATOM 400 N SER A 25 6.527 -16.658 4.874 1.00 0.54 N ATOM 401 CA SER A 25 7.098 -17.275 6.071 1.00 0.63 C ATOM 402 C SER A 25 8.165 -18.315 5.719 1.00 0.63 C ATOM 403 O SER A 25 8.896 -18.785 6.590 1.00 0.75 O ATOM 404 CB SER A 25 5.989 -17.912 6.907 1.00 0.75 C ATOM 405 OG SER A 25 4.967 -16.969 7.185 1.00 1.20 O ATOM 0 H SER A 25 5.541 -16.869 4.721 1.00 0.54 H new ATOM 0 HA SER A 25 7.585 -16.492 6.653 1.00 0.63 H new ATOM 0 HB2 SER A 25 5.569 -18.765 6.374 1.00 0.75 H new ATOM 0 HB3 SER A 25 6.403 -18.293 7.841 1.00 0.75 H new ATOM 0 HG SER A 25 4.265 -17.395 7.720 1.00 1.20 H new ATOM 411 N GLN A 26 8.263 -18.662 4.441 1.00 0.61 N ATOM 412 CA GLN A 26 9.265 -19.614 3.991 1.00 0.73 C ATOM 413 C GLN A 26 10.582 -18.901 3.685 1.00 0.79 C ATOM 414 O GLN A 26 11.655 -19.497 3.782 1.00 0.93 O ATOM 415 CB GLN A 26 8.765 -20.375 2.753 1.00 0.80 C ATOM 416 CG GLN A 26 9.729 -21.447 2.249 1.00 1.25 C ATOM 417 CD GLN A 26 10.043 -22.492 3.308 1.00 1.53 C ATOM 418 OE1 GLN A 26 9.343 -23.497 3.426 1.00 1.91 O ATOM 419 NE2 GLN A 26 11.098 -22.270 4.080 1.00 2.26 N ATOM 0 H GLN A 26 7.662 -18.298 3.702 1.00 0.61 H new ATOM 0 HA GLN A 26 9.441 -20.333 4.791 1.00 0.73 H new ATOM 0 HB2 GLN A 26 7.809 -20.843 2.989 1.00 0.80 H new ATOM 0 HB3 GLN A 26 8.581 -19.661 1.950 1.00 0.80 H new ATOM 0 HG2 GLN A 26 9.298 -21.937 1.376 1.00 1.25 H new ATOM 0 HG3 GLN A 26 10.656 -20.974 1.924 1.00 1.25 H new ATOM 0 HE21 GLN A 26 11.655 -21.425 3.952 1.00 2.26 H new ATOM 0 HE22 GLN A 26 11.353 -22.944 4.801 1.00 2.26 H new ATOM 644 N GLU A 42 -3.157 1.125 13.938 1.00 1.02 N ATOM 645 CA GLU A 42 -3.290 1.959 12.751 1.00 0.87 C ATOM 646 C GLU A 42 -3.026 1.126 11.503 1.00 0.73 C ATOM 647 O GLU A 42 -3.682 1.292 10.478 1.00 0.63 O ATOM 648 CB GLU A 42 -2.303 3.133 12.807 1.00 1.05 C ATOM 649 CG GLU A 42 -2.486 4.148 11.693 1.00 1.53 C ATOM 650 CD GLU A 42 -3.745 4.969 11.864 1.00 2.12 C ATOM 651 OE1 GLU A 42 -4.838 4.461 11.533 1.00 2.82 O ATOM 652 OE2 GLU A 42 -3.647 6.127 12.309 1.00 2.42 O ATOM 0 HA GLU A 42 -4.305 2.355 12.715 1.00 0.87 H new ATOM 0 HB2 GLU A 42 -2.410 3.639 13.767 1.00 1.05 H new ATOM 0 HB3 GLU A 42 -1.286 2.742 12.765 1.00 1.05 H new ATOM 0 HG2 GLU A 42 -1.623 4.813 11.665 1.00 1.53 H new ATOM 0 HG3 GLU A 42 -2.520 3.630 10.735 1.00 1.53 H new ATOM 659 N SER A 43 -2.074 0.208 11.629 1.00 0.79 N ATOM 660 CA SER A 43 -1.607 -0.610 10.516 1.00 0.75 C ATOM 661 C SER A 43 -2.753 -1.307 9.778 1.00 0.67 C ATOM 662 O SER A 43 -2.758 -1.348 8.551 1.00 0.62 O ATOM 663 CB SER A 43 -0.597 -1.638 11.030 1.00 0.94 C ATOM 664 OG SER A 43 0.343 -1.016 11.892 1.00 1.14 O ATOM 0 H SER A 43 -1.602 0.009 12.511 1.00 0.79 H new ATOM 0 HA SER A 43 -1.129 0.052 9.794 1.00 0.75 H new ATOM 0 HB2 SER A 43 -1.117 -2.434 11.562 1.00 0.94 H new ATOM 0 HB3 SER A 43 -0.079 -2.101 10.190 1.00 0.94 H new ATOM 0 HG SER A 43 0.822 -1.702 12.403 1.00 1.14 H new ATOM 670 N GLU A 44 -3.735 -1.822 10.513 1.00 0.72 N ATOM 671 CA GLU A 44 -4.856 -2.527 9.888 1.00 0.73 C ATOM 672 C GLU A 44 -5.671 -1.600 8.987 1.00 0.61 C ATOM 673 O GLU A 44 -6.286 -2.047 8.017 1.00 0.66 O ATOM 674 CB GLU A 44 -5.773 -3.153 10.939 1.00 0.85 C ATOM 675 CG GLU A 44 -5.150 -4.316 11.693 1.00 1.32 C ATOM 676 CD GLU A 44 -6.130 -4.970 12.641 1.00 1.96 C ATOM 677 OE1 GLU A 44 -6.439 -4.369 13.691 1.00 2.98 O ATOM 678 OE2 GLU A 44 -6.605 -6.084 12.340 1.00 1.90 O ATOM 0 H GLU A 44 -3.780 -1.767 11.531 1.00 0.72 H new ATOM 0 HA GLU A 44 -4.427 -3.320 9.275 1.00 0.73 H new ATOM 0 HB2 GLU A 44 -6.065 -2.385 11.655 1.00 0.85 H new ATOM 0 HB3 GLU A 44 -6.685 -3.497 10.451 1.00 0.85 H new ATOM 0 HG2 GLU A 44 -4.787 -5.056 10.980 1.00 1.32 H new ATOM 0 HG3 GLU A 44 -4.285 -3.962 12.254 1.00 1.32 H new ATOM 685 N ALA A 45 -5.660 -0.311 9.299 1.00 0.53 N ATOM 686 CA ALA A 45 -6.417 0.663 8.534 1.00 0.45 C ATOM 687 C ALA A 45 -5.657 1.060 7.280 1.00 0.39 C ATOM 688 O ALA A 45 -6.186 0.986 6.173 1.00 0.39 O ATOM 689 CB ALA A 45 -6.720 1.886 9.384 1.00 0.48 C ATOM 0 H ALA A 45 -5.133 0.082 10.079 1.00 0.53 H new ATOM 0 HA ALA A 45 -7.362 0.209 8.234 1.00 0.45 H new ATOM 0 HB1 ALA A 45 -7.288 2.606 8.795 1.00 0.48 H new ATOM 0 HB2 ALA A 45 -7.304 1.588 10.255 1.00 0.48 H new ATOM 0 HB3 ALA A 45 -5.786 2.342 9.712 1.00 0.48 H new ATOM 695 N VAL A 46 -4.406 1.464 7.458 1.00 0.36 N ATOM 696 CA VAL A 46 -3.570 1.864 6.338 1.00 0.32 C ATOM 697 C VAL A 46 -3.315 0.693 5.393 1.00 0.34 C ATOM 698 O VAL A 46 -3.282 0.872 4.177 1.00 0.35 O ATOM 699 CB VAL A 46 -2.238 2.487 6.808 1.00 0.33 C ATOM 700 CG1 VAL A 46 -1.816 1.931 8.151 1.00 0.34 C ATOM 701 CG2 VAL A 46 -1.150 2.258 5.778 1.00 0.34 C ATOM 0 H VAL A 46 -3.949 1.523 8.368 1.00 0.36 H new ATOM 0 HA VAL A 46 -4.117 2.632 5.790 1.00 0.32 H new ATOM 0 HB VAL A 46 -2.394 3.560 6.921 1.00 0.33 H new ATOM 0 HG11 VAL A 46 -0.875 2.389 8.455 1.00 0.34 H new ATOM 0 HG12 VAL A 46 -2.583 2.151 8.893 1.00 0.34 H new ATOM 0 HG13 VAL A 46 -1.686 0.852 8.073 1.00 0.34 H new ATOM 0 HG21 VAL A 46 -0.219 2.704 6.127 1.00 0.34 H new ATOM 0 HG22 VAL A 46 -1.007 1.187 5.632 1.00 0.34 H new ATOM 0 HG23 VAL A 46 -1.441 2.717 4.833 1.00 0.34 H new ATOM 711 N LYS A 47 -3.145 -0.499 5.946 1.00 0.41 N ATOM 712 CA LYS A 47 -3.030 -1.701 5.127 1.00 0.50 C ATOM 713 C LYS A 47 -4.218 -1.795 4.173 1.00 0.51 C ATOM 714 O LYS A 47 -4.055 -2.067 2.986 1.00 0.59 O ATOM 715 CB LYS A 47 -2.971 -2.959 6.004 1.00 0.63 C ATOM 716 CG LYS A 47 -3.002 -4.255 5.210 1.00 0.84 C ATOM 717 CD LYS A 47 -3.006 -5.467 6.122 1.00 1.45 C ATOM 718 CE LYS A 47 -3.231 -6.749 5.336 1.00 1.93 C ATOM 719 NZ LYS A 47 -3.181 -7.947 6.212 1.00 2.14 N ATOM 0 H LYS A 47 -3.084 -0.661 6.951 1.00 0.41 H new ATOM 0 HA LYS A 47 -2.105 -1.636 4.553 1.00 0.50 H new ATOM 0 HB2 LYS A 47 -2.061 -2.932 6.604 1.00 0.63 H new ATOM 0 HB3 LYS A 47 -3.811 -2.948 6.698 1.00 0.63 H new ATOM 0 HG2 LYS A 47 -3.888 -4.273 4.576 1.00 0.84 H new ATOM 0 HG3 LYS A 47 -2.136 -4.299 4.549 1.00 0.84 H new ATOM 0 HD2 LYS A 47 -2.057 -5.527 6.655 1.00 1.45 H new ATOM 0 HD3 LYS A 47 -3.788 -5.357 6.874 1.00 1.45 H new ATOM 0 HE2 LYS A 47 -4.199 -6.704 4.836 1.00 1.93 H new ATOM 0 HE3 LYS A 47 -2.473 -6.836 4.557 1.00 1.93 H new ATOM 0 HZ1 LYS A 47 -3.688 -8.732 5.756 1.00 2.14 H new ATOM 0 HZ2 LYS A 47 -2.190 -8.220 6.370 1.00 2.14 H new ATOM 0 HZ3 LYS A 47 -3.630 -7.729 7.124 1.00 2.14 H new ATOM 733 N GLN A 48 -5.406 -1.527 4.700 1.00 0.47 N ATOM 734 CA GLN A 48 -6.626 -1.562 3.903 1.00 0.52 C ATOM 735 C GLN A 48 -6.644 -0.392 2.924 1.00 0.48 C ATOM 736 O GLN A 48 -7.124 -0.513 1.796 1.00 0.54 O ATOM 737 CB GLN A 48 -7.851 -1.522 4.820 1.00 0.55 C ATOM 738 CG GLN A 48 -9.187 -1.560 4.089 1.00 0.85 C ATOM 739 CD GLN A 48 -9.343 -2.773 3.189 1.00 1.50 C ATOM 740 OE1 GLN A 48 -8.777 -3.837 3.446 1.00 2.23 O ATOM 741 NE2 GLN A 48 -10.126 -2.621 2.132 1.00 2.02 N ATOM 0 H GLN A 48 -5.551 -1.282 5.680 1.00 0.47 H new ATOM 0 HA GLN A 48 -6.654 -2.489 3.331 1.00 0.52 H new ATOM 0 HB2 GLN A 48 -7.803 -2.367 5.507 1.00 0.55 H new ATOM 0 HB3 GLN A 48 -7.807 -0.616 5.425 1.00 0.55 H new ATOM 0 HG2 GLN A 48 -9.995 -1.553 4.821 1.00 0.85 H new ATOM 0 HG3 GLN A 48 -9.292 -0.655 3.490 1.00 0.85 H new ATOM 0 HE21 GLN A 48 -10.576 -1.723 1.956 1.00 2.02 H new ATOM 0 HE22 GLN A 48 -10.279 -3.402 1.494 1.00 2.02 H new ATOM 750 N ALA A 49 -6.097 0.735 3.360 1.00 0.42 N ATOM 751 CA ALA A 49 -5.977 1.908 2.514 1.00 0.40 C ATOM 752 C ALA A 49 -5.105 1.600 1.305 1.00 0.39 C ATOM 753 O ALA A 49 -5.487 1.872 0.169 1.00 0.42 O ATOM 754 CB ALA A 49 -5.399 3.068 3.305 1.00 0.36 C ATOM 0 H ALA A 49 -5.728 0.859 4.303 1.00 0.42 H new ATOM 0 HA ALA A 49 -6.969 2.189 2.161 1.00 0.40 H new ATOM 0 HB1 ALA A 49 -5.314 3.942 2.659 1.00 0.36 H new ATOM 0 HB2 ALA A 49 -6.055 3.299 4.144 1.00 0.36 H new ATOM 0 HB3 ALA A 49 -4.412 2.797 3.680 1.00 0.36 H new ATOM 760 N LEU A 50 -3.944 1.003 1.559 1.00 0.38 N ATOM 761 CA LEU A 50 -3.021 0.627 0.490 1.00 0.39 C ATOM 762 C LEU A 50 -3.602 -0.487 -0.370 1.00 0.46 C ATOM 763 O LEU A 50 -3.226 -0.642 -1.529 1.00 0.49 O ATOM 764 CB LEU A 50 -1.661 0.190 1.048 1.00 0.39 C ATOM 765 CG LEU A 50 -0.637 1.312 1.261 1.00 0.33 C ATOM 766 CD1 LEU A 50 -0.379 2.060 -0.039 1.00 0.31 C ATOM 767 CD2 LEU A 50 -1.097 2.273 2.340 1.00 0.29 C ATOM 0 H LEU A 50 -3.619 0.768 2.497 1.00 0.38 H new ATOM 0 HA LEU A 50 -2.874 1.512 -0.128 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -1.825 -0.313 2.001 1.00 0.39 H new ATOM 0 HB3 LEU A 50 -1.230 -0.546 0.369 1.00 0.39 H new ATOM 0 HG LEU A 50 0.296 0.854 1.589 1.00 0.33 H new ATOM 0 HD11 LEU A 50 0.350 2.851 0.135 1.00 0.31 H new ATOM 0 HD12 LEU A 50 0.008 1.368 -0.786 1.00 0.31 H new ATOM 0 HD13 LEU A 50 -1.311 2.498 -0.398 1.00 0.31 H new ATOM 0 HD21 LEU A 50 -0.352 3.058 2.470 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.048 2.720 2.048 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.223 1.733 3.279 1.00 0.29 H new ATOM 779 N ARG A 51 -4.512 -1.267 0.197 1.00 0.52 N ATOM 780 CA ARG A 51 -5.182 -2.314 -0.561 1.00 0.61 C ATOM 781 C ARG A 51 -6.051 -1.710 -1.652 1.00 0.62 C ATOM 782 O ARG A 51 -5.973 -2.114 -2.814 1.00 0.69 O ATOM 783 CB ARG A 51 -6.025 -3.212 0.346 1.00 0.67 C ATOM 784 CG ARG A 51 -5.206 -4.184 1.179 1.00 0.98 C ATOM 785 CD ARG A 51 -4.270 -5.009 0.308 1.00 1.49 C ATOM 786 NE ARG A 51 -4.985 -5.715 -0.754 1.00 2.00 N ATOM 787 CZ ARG A 51 -4.677 -5.623 -2.048 1.00 2.89 C ATOM 788 NH1 ARG A 51 -3.680 -4.838 -2.442 1.00 3.39 N ATOM 789 NH2 ARG A 51 -5.370 -6.311 -2.945 1.00 3.74 N ATOM 0 H ARG A 51 -4.802 -1.196 1.172 1.00 0.52 H new ATOM 0 HA ARG A 51 -4.410 -2.931 -1.022 1.00 0.61 H new ATOM 0 HB2 ARG A 51 -6.617 -2.585 1.013 1.00 0.67 H new ATOM 0 HB3 ARG A 51 -6.727 -3.776 -0.268 1.00 0.67 H new ATOM 0 HG2 ARG A 51 -4.626 -3.632 1.919 1.00 0.98 H new ATOM 0 HG3 ARG A 51 -5.874 -4.848 1.728 1.00 0.98 H new ATOM 0 HD2 ARG A 51 -3.518 -4.356 -0.134 1.00 1.49 H new ATOM 0 HD3 ARG A 51 -3.740 -5.731 0.929 1.00 1.49 H new ATOM 0 HE ARG A 51 -5.767 -6.314 -0.489 1.00 2.00 H new ATOM 0 HH11 ARG A 51 -3.149 -4.304 -1.754 1.00 3.39 H new ATOM 0 HH12 ARG A 51 -3.446 -4.769 -3.432 1.00 3.39 H new ATOM 0 HH21 ARG A 51 -6.139 -6.911 -2.645 1.00 3.74 H new ATOM 0 HH22 ARG A 51 -5.134 -6.241 -3.935 1.00 3.74 H new ATOM 803 N GLU A 52 -6.869 -0.735 -1.282 1.00 0.59 N ATOM 804 CA GLU A 52 -7.721 -0.059 -2.250 1.00 0.62 C ATOM 805 C GLU A 52 -6.890 0.846 -3.149 1.00 0.59 C ATOM 806 O GLU A 52 -7.148 0.956 -4.347 1.00 0.65 O ATOM 807 CB GLU A 52 -8.810 0.753 -1.546 1.00 0.66 C ATOM 808 CG GLU A 52 -9.819 -0.104 -0.798 1.00 0.92 C ATOM 809 CD GLU A 52 -10.499 -1.117 -1.697 1.00 1.23 C ATOM 810 OE1 GLU A 52 -11.546 -0.787 -2.294 1.00 1.45 O ATOM 811 OE2 GLU A 52 -9.989 -2.250 -1.814 1.00 1.88 O ATOM 0 H GLU A 52 -6.961 -0.396 -0.324 1.00 0.59 H new ATOM 0 HA GLU A 52 -8.203 -0.819 -2.865 1.00 0.62 H new ATOM 0 HB2 GLU A 52 -8.341 1.443 -0.845 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -9.336 1.358 -2.285 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -9.315 -0.626 0.016 1.00 0.92 H new ATOM 0 HG3 GLU A 52 -10.573 0.540 -0.346 1.00 0.92 H new ATOM 818 N ALA A 53 -5.879 1.474 -2.561 1.00 0.52 N ATOM 819 CA ALA A 53 -4.996 2.370 -3.287 1.00 0.49 C ATOM 820 C ALA A 53 -4.201 1.620 -4.347 1.00 0.52 C ATOM 821 O ALA A 53 -4.166 2.024 -5.506 1.00 0.53 O ATOM 822 CB ALA A 53 -4.060 3.058 -2.314 1.00 0.43 C ATOM 0 H ALA A 53 -5.651 1.375 -1.572 1.00 0.52 H new ATOM 0 HA ALA A 53 -5.603 3.118 -3.796 1.00 0.49 H new ATOM 0 HB1 ALA A 53 -3.398 3.730 -2.860 1.00 0.43 H new ATOM 0 HB2 ALA A 53 -4.642 3.630 -1.592 1.00 0.43 H new ATOM 0 HB3 ALA A 53 -3.466 2.310 -1.790 1.00 0.43 H new ATOM 828 N GLY A 54 -3.570 0.524 -3.938 1.00 0.57 N ATOM 829 CA GLY A 54 -2.773 -0.270 -4.856 1.00 0.64 C ATOM 830 C GLY A 54 -3.589 -0.775 -6.023 1.00 0.74 C ATOM 831 O GLY A 54 -3.132 -0.755 -7.166 1.00 0.82 O ATOM 0 H GLY A 54 -3.597 0.170 -2.982 1.00 0.57 H new ATOM 0 HA2 GLY A 54 -1.942 0.330 -5.227 1.00 0.64 H new ATOM 0 HA3 GLY A 54 -2.341 -1.117 -4.322 1.00 0.64 H new ATOM 835 N ASP A 55 -4.811 -1.202 -5.735 1.00 0.79 N ATOM 836 CA ASP A 55 -5.711 -1.691 -6.772 1.00 0.92 C ATOM 837 C ASP A 55 -6.100 -0.555 -7.707 1.00 0.88 C ATOM 838 O ASP A 55 -6.159 -0.731 -8.923 1.00 0.97 O ATOM 839 CB ASP A 55 -6.966 -2.318 -6.154 1.00 1.04 C ATOM 840 CG ASP A 55 -7.974 -2.749 -7.204 1.00 1.12 C ATOM 841 OD1 ASP A 55 -7.807 -3.840 -7.782 1.00 1.34 O ATOM 842 OD2 ASP A 55 -8.937 -1.996 -7.457 1.00 1.29 O ATOM 0 H ASP A 55 -5.202 -1.220 -4.793 1.00 0.79 H new ATOM 0 HA ASP A 55 -5.190 -2.459 -7.343 1.00 0.92 H new ATOM 0 HB2 ASP A 55 -6.680 -3.181 -5.553 1.00 1.04 H new ATOM 0 HB3 ASP A 55 -7.433 -1.601 -5.479 1.00 1.04 H new ATOM 847 N GLU A 56 -6.332 0.617 -7.131 1.00 0.79 N ATOM 848 CA GLU A 56 -6.709 1.793 -7.901 1.00 0.83 C ATOM 849 C GLU A 56 -5.553 2.236 -8.799 1.00 0.78 C ATOM 850 O GLU A 56 -5.756 2.564 -9.968 1.00 0.85 O ATOM 851 CB GLU A 56 -7.137 2.929 -6.960 1.00 0.83 C ATOM 852 CG GLU A 56 -7.586 4.194 -7.672 1.00 0.94 C ATOM 853 CD GLU A 56 -8.084 5.252 -6.711 1.00 1.27 C ATOM 854 OE1 GLU A 56 -9.270 5.209 -6.326 1.00 1.38 O ATOM 855 OE2 GLU A 56 -7.286 6.132 -6.329 1.00 2.06 O ATOM 0 H GLU A 56 -6.265 0.778 -6.126 1.00 0.79 H new ATOM 0 HA GLU A 56 -7.556 1.539 -8.539 1.00 0.83 H new ATOM 0 HB2 GLU A 56 -7.950 2.574 -6.327 1.00 0.83 H new ATOM 0 HB3 GLU A 56 -6.304 3.173 -6.301 1.00 0.83 H new ATOM 0 HG2 GLU A 56 -6.755 4.596 -8.251 1.00 0.94 H new ATOM 0 HG3 GLU A 56 -8.378 3.948 -8.379 1.00 0.94 H new ATOM 862 N PHE A 57 -4.336 2.212 -8.259 1.00 0.72 N ATOM 863 CA PHE A 57 -3.158 2.623 -9.014 1.00 0.76 C ATOM 864 C PHE A 57 -2.927 1.683 -10.197 1.00 0.82 C ATOM 865 O PHE A 57 -2.703 2.133 -11.323 1.00 0.90 O ATOM 866 CB PHE A 57 -1.915 2.662 -8.111 1.00 0.77 C ATOM 867 CG PHE A 57 -0.706 3.275 -8.771 1.00 0.94 C ATOM 868 CD1 PHE A 57 -0.503 4.646 -8.734 1.00 1.07 C ATOM 869 CD2 PHE A 57 0.223 2.483 -9.433 1.00 1.05 C ATOM 870 CE1 PHE A 57 0.600 5.216 -9.344 1.00 1.26 C ATOM 871 CE2 PHE A 57 1.327 3.047 -10.043 1.00 1.25 C ATOM 872 CZ PHE A 57 1.515 4.416 -10.000 1.00 1.34 C ATOM 0 H PHE A 57 -4.142 1.913 -7.303 1.00 0.72 H new ATOM 0 HA PHE A 57 -3.334 3.629 -9.396 1.00 0.76 H new ATOM 0 HB2 PHE A 57 -2.150 3.226 -7.208 1.00 0.77 H new ATOM 0 HB3 PHE A 57 -1.672 1.646 -7.798 1.00 0.77 H new ATOM 0 HD1 PHE A 57 -1.215 5.277 -8.223 1.00 1.07 H new ATOM 0 HD2 PHE A 57 0.081 1.413 -9.471 1.00 1.05 H new ATOM 0 HE1 PHE A 57 0.746 6.286 -9.307 1.00 1.26 H new ATOM 0 HE2 PHE A 57 2.042 2.419 -10.553 1.00 1.25 H new ATOM 0 HZ PHE A 57 2.376 4.859 -10.479 1.00 1.34 H new ATOM 882 N GLU A 58 -3.018 0.379 -9.949 1.00 0.83 N ATOM 883 CA GLU A 58 -2.777 -0.617 -10.991 1.00 0.95 C ATOM 884 C GLU A 58 -3.950 -0.681 -11.969 1.00 0.99 C ATOM 885 O GLU A 58 -3.833 -1.229 -13.063 1.00 1.08 O ATOM 886 CB GLU A 58 -2.535 -2.000 -10.370 1.00 1.05 C ATOM 887 CG GLU A 58 -1.268 -2.089 -9.526 1.00 1.35 C ATOM 888 CD GLU A 58 -1.044 -3.474 -8.958 1.00 1.27 C ATOM 889 OE1 GLU A 58 -0.635 -4.376 -9.716 1.00 1.61 O ATOM 890 OE2 GLU A 58 -1.272 -3.668 -7.744 1.00 1.45 O ATOM 0 H GLU A 58 -3.256 -0.013 -9.038 1.00 0.83 H new ATOM 0 HA GLU A 58 -1.885 -0.316 -11.541 1.00 0.95 H new ATOM 0 HB2 GLU A 58 -3.392 -2.263 -9.749 1.00 1.05 H new ATOM 0 HB3 GLU A 58 -2.480 -2.740 -11.168 1.00 1.05 H new ATOM 0 HG2 GLU A 58 -0.409 -1.807 -10.135 1.00 1.35 H new ATOM 0 HG3 GLU A 58 -1.329 -1.370 -8.709 1.00 1.35 H new ATOM 897 N LEU A 59 -5.083 -0.130 -11.565 1.00 0.98 N ATOM 898 CA LEU A 59 -6.254 -0.072 -12.426 1.00 1.10 C ATOM 899 C LEU A 59 -6.192 1.151 -13.338 1.00 1.10 C ATOM 900 O LEU A 59 -6.761 1.157 -14.432 1.00 1.24 O ATOM 901 CB LEU A 59 -7.522 -0.020 -11.573 1.00 1.19 C ATOM 902 CG LEU A 59 -8.838 -0.021 -12.347 1.00 1.36 C ATOM 903 CD1 LEU A 59 -9.000 -1.316 -13.123 1.00 1.59 C ATOM 904 CD2 LEU A 59 -10.006 0.184 -11.397 1.00 1.56 C ATOM 0 H LEU A 59 -5.217 0.285 -10.643 1.00 0.98 H new ATOM 0 HA LEU A 59 -6.272 -0.967 -13.048 1.00 1.10 H new ATOM 0 HB2 LEU A 59 -7.518 -0.875 -10.896 1.00 1.19 H new ATOM 0 HB3 LEU A 59 -7.486 0.877 -10.954 1.00 1.19 H new ATOM 0 HG LEU A 59 -8.823 0.803 -13.060 1.00 1.36 H new ATOM 0 HD11 LEU A 59 -9.944 -1.298 -13.668 1.00 1.59 H new ATOM 0 HD12 LEU A 59 -8.176 -1.423 -13.828 1.00 1.59 H new ATOM 0 HD13 LEU A 59 -8.997 -2.158 -12.431 1.00 1.59 H new ATOM 0 HD21 LEU A 59 -10.939 0.181 -11.961 1.00 1.56 H new ATOM 0 HD22 LEU A 59 -10.024 -0.622 -10.663 1.00 1.56 H new ATOM 0 HD23 LEU A 59 -9.895 1.140 -10.884 1.00 1.56 H new ATOM 916 N ARG A 60 -5.481 2.173 -12.888 1.00 1.00 N ATOM 917 CA ARG A 60 -5.430 3.444 -13.602 1.00 1.06 C ATOM 918 C ARG A 60 -4.162 3.561 -14.441 1.00 1.00 C ATOM 919 O ARG A 60 -4.221 3.933 -15.612 1.00 1.07 O ATOM 920 CB ARG A 60 -5.521 4.627 -12.626 1.00 1.10 C ATOM 921 CG ARG A 60 -6.904 4.838 -12.012 1.00 1.19 C ATOM 922 CD ARG A 60 -7.953 5.146 -13.071 1.00 1.31 C ATOM 923 NE ARG A 60 -7.613 6.329 -13.856 1.00 1.81 N ATOM 924 CZ ARG A 60 -8.113 6.584 -15.062 1.00 2.26 C ATOM 925 NH1 ARG A 60 -8.987 5.748 -15.611 1.00 2.15 N ATOM 926 NH2 ARG A 60 -7.746 7.675 -15.719 1.00 3.21 N ATOM 0 H ARG A 60 -4.930 2.149 -12.030 1.00 1.00 H new ATOM 0 HA ARG A 60 -6.289 3.473 -14.272 1.00 1.06 H new ATOM 0 HB2 ARG A 60 -4.800 4.475 -11.823 1.00 1.10 H new ATOM 0 HB3 ARG A 60 -5.227 5.537 -13.150 1.00 1.10 H new ATOM 0 HG2 ARG A 60 -7.196 3.945 -11.460 1.00 1.19 H new ATOM 0 HG3 ARG A 60 -6.862 5.657 -11.294 1.00 1.19 H new ATOM 0 HD2 ARG A 60 -8.058 4.289 -13.736 1.00 1.31 H new ATOM 0 HD3 ARG A 60 -8.919 5.297 -12.590 1.00 1.31 H new ATOM 0 HE ARG A 60 -6.955 6.998 -13.457 1.00 1.81 H new ATOM 0 HH11 ARG A 60 -9.276 4.909 -15.108 1.00 2.15 H new ATOM 0 HH12 ARG A 60 -9.370 5.945 -16.536 1.00 2.15 H new ATOM 0 HH21 ARG A 60 -7.078 8.322 -15.300 1.00 3.21 H new ATOM 0 HH22 ARG A 60 -8.131 7.867 -16.644 1.00 3.21 H new ATOM 940 N TYR A 61 -3.020 3.235 -13.847 1.00 0.91 N ATOM 941 CA TYR A 61 -1.740 3.385 -14.525 1.00 0.90 C ATOM 942 C TYR A 61 -0.953 2.080 -14.464 1.00 0.84 C ATOM 943 O TYR A 61 0.151 2.031 -13.919 1.00 0.83 O ATOM 944 CB TYR A 61 -0.912 4.512 -13.893 1.00 0.96 C ATOM 945 CG TYR A 61 -1.639 5.838 -13.781 1.00 1.05 C ATOM 946 CD1 TYR A 61 -2.060 6.534 -14.912 1.00 1.27 C ATOM 947 CD2 TYR A 61 -1.900 6.397 -12.534 1.00 1.04 C ATOM 948 CE1 TYR A 61 -2.719 7.745 -14.800 1.00 1.38 C ATOM 949 CE2 TYR A 61 -2.559 7.605 -12.418 1.00 1.14 C ATOM 950 CZ TYR A 61 -2.965 8.274 -13.552 1.00 1.27 C ATOM 951 OH TYR A 61 -3.623 9.476 -13.436 1.00 1.41 O ATOM 0 H TYR A 61 -2.955 2.866 -12.898 1.00 0.91 H new ATOM 0 HA TYR A 61 -1.940 3.639 -15.566 1.00 0.90 H new ATOM 0 HB2 TYR A 61 -0.596 4.200 -12.898 1.00 0.96 H new ATOM 0 HB3 TYR A 61 -0.007 4.657 -14.484 1.00 0.96 H new ATOM 0 HD1 TYR A 61 -1.869 6.122 -15.892 1.00 1.27 H new ATOM 0 HD2 TYR A 61 -1.582 5.878 -11.642 1.00 1.04 H new ATOM 0 HE1 TYR A 61 -3.039 8.273 -15.686 1.00 1.38 H new ATOM 0 HE2 TYR A 61 -2.755 8.024 -11.442 1.00 1.14 H new ATOM 0 HH TYR A 61 -3.717 9.707 -12.488 1.00 1.41 H new ATOM 961 N ARG A 62 -1.525 1.021 -15.019 1.00 0.86 N ATOM 962 CA ARG A 62 -0.868 -0.278 -15.009 1.00 0.85 C ATOM 963 C ARG A 62 0.314 -0.263 -15.964 1.00 0.87 C ATOM 964 O ARG A 62 1.370 -0.808 -15.664 1.00 0.85 O ATOM 965 CB ARG A 62 -1.837 -1.392 -15.410 1.00 0.95 C ATOM 966 CG ARG A 62 -1.250 -2.792 -15.268 1.00 1.04 C ATOM 967 CD ARG A 62 -2.135 -3.839 -15.926 1.00 1.23 C ATOM 968 NE ARG A 62 -2.226 -3.633 -17.372 1.00 1.73 N ATOM 969 CZ ARG A 62 -3.336 -3.259 -18.007 1.00 2.16 C ATOM 970 NH1 ARG A 62 -4.464 -3.067 -17.329 1.00 2.24 N ATOM 971 NH2 ARG A 62 -3.313 -3.071 -19.320 1.00 3.02 N ATOM 0 H ARG A 62 -2.436 1.035 -15.479 1.00 0.86 H new ATOM 0 HA ARG A 62 -0.521 -0.475 -13.995 1.00 0.85 H new ATOM 0 HB2 ARG A 62 -2.735 -1.320 -14.796 1.00 0.95 H new ATOM 0 HB3 ARG A 62 -2.145 -1.239 -16.444 1.00 0.95 H new ATOM 0 HG2 ARG A 62 -0.258 -2.819 -15.718 1.00 1.04 H new ATOM 0 HG3 ARG A 62 -1.127 -3.030 -14.211 1.00 1.04 H new ATOM 0 HD2 ARG A 62 -1.736 -4.833 -15.724 1.00 1.23 H new ATOM 0 HD3 ARG A 62 -3.133 -3.801 -15.489 1.00 1.23 H new ATOM 0 HE ARG A 62 -1.386 -3.786 -17.930 1.00 1.73 H new ATOM 0 HH11 ARG A 62 -4.482 -3.206 -16.319 1.00 2.24 H new ATOM 0 HH12 ARG A 62 -5.311 -2.781 -17.819 1.00 2.24 H new ATOM 0 HH21 ARG A 62 -2.447 -3.213 -19.840 1.00 3.02 H new ATOM 0 HH22 ARG A 62 -4.161 -2.785 -19.809 1.00 3.02 H new ATOM 985 N ARG A 63 0.127 0.389 -17.108 1.00 0.94 N ATOM 986 CA ARG A 63 1.177 0.486 -18.115 1.00 1.01 C ATOM 987 C ARG A 63 2.408 1.171 -17.530 1.00 0.95 C ATOM 988 O ARG A 63 3.542 0.763 -17.788 1.00 0.99 O ATOM 989 CB ARG A 63 0.676 1.257 -19.341 1.00 1.16 C ATOM 990 CG ARG A 63 -0.459 0.560 -20.085 1.00 1.70 C ATOM 991 CD ARG A 63 -1.029 1.438 -21.191 1.00 2.14 C ATOM 992 NE ARG A 63 -1.603 2.675 -20.661 1.00 2.71 N ATOM 993 CZ ARG A 63 -1.345 3.889 -21.145 1.00 3.58 C ATOM 994 NH1 ARG A 63 -0.542 4.044 -22.192 1.00 3.92 N ATOM 995 NH2 ARG A 63 -1.896 4.951 -20.572 1.00 4.52 N ATOM 0 H ARG A 63 -0.743 0.858 -17.360 1.00 0.94 H new ATOM 0 HA ARG A 63 1.450 -0.522 -18.427 1.00 1.01 H new ATOM 0 HB2 ARG A 63 0.339 2.244 -19.025 1.00 1.16 H new ATOM 0 HB3 ARG A 63 1.509 1.410 -20.028 1.00 1.16 H new ATOM 0 HG2 ARG A 63 -0.094 -0.374 -20.513 1.00 1.70 H new ATOM 0 HG3 ARG A 63 -1.250 0.301 -19.382 1.00 1.70 H new ATOM 0 HD2 ARG A 63 -0.242 1.679 -21.905 1.00 2.14 H new ATOM 0 HD3 ARG A 63 -1.795 0.886 -21.735 1.00 2.14 H new ATOM 0 HE ARG A 63 -2.242 2.603 -19.869 1.00 2.71 H new ATOM 0 HH11 ARG A 63 -0.116 3.229 -22.633 1.00 3.92 H new ATOM 0 HH12 ARG A 63 -0.351 4.978 -22.555 1.00 3.92 H new ATOM 0 HH21 ARG A 63 -2.512 4.834 -19.767 1.00 4.52 H new ATOM 0 HH22 ARG A 63 -1.704 5.884 -20.936 1.00 4.52 H new ATOM 1009 N ALA A 64 2.175 2.202 -16.724 1.00 0.90 N ATOM 1010 CA ALA A 64 3.254 2.905 -16.053 1.00 0.89 C ATOM 1011 C ALA A 64 3.953 1.991 -15.058 1.00 0.75 C ATOM 1012 O ALA A 64 5.177 1.901 -15.040 1.00 0.73 O ATOM 1013 CB ALA A 64 2.726 4.143 -15.349 1.00 0.94 C ATOM 0 H ALA A 64 1.244 2.567 -16.522 1.00 0.90 H new ATOM 0 HA ALA A 64 3.979 3.215 -16.806 1.00 0.89 H new ATOM 0 HB1 ALA A 64 3.548 4.657 -14.852 1.00 0.94 H new ATOM 0 HB2 ALA A 64 2.270 4.810 -16.080 1.00 0.94 H new ATOM 0 HB3 ALA A 64 1.980 3.851 -14.609 1.00 0.94 H new ATOM 1019 N PHE A 65 3.162 1.299 -14.248 1.00 0.69 N ATOM 1020 CA PHE A 65 3.699 0.396 -13.235 1.00 0.61 C ATOM 1021 C PHE A 65 4.509 -0.729 -13.880 1.00 0.59 C ATOM 1022 O PHE A 65 5.590 -1.082 -13.404 1.00 0.59 O ATOM 1023 CB PHE A 65 2.562 -0.191 -12.386 1.00 0.62 C ATOM 1024 CG PHE A 65 3.041 -1.017 -11.224 1.00 0.59 C ATOM 1025 CD1 PHE A 65 3.494 -0.406 -10.067 1.00 0.60 C ATOM 1026 CD2 PHE A 65 3.042 -2.401 -11.291 1.00 0.64 C ATOM 1027 CE1 PHE A 65 3.937 -1.162 -9.000 1.00 0.64 C ATOM 1028 CE2 PHE A 65 3.484 -3.161 -10.227 1.00 0.68 C ATOM 1029 CZ PHE A 65 3.932 -2.540 -9.080 1.00 0.66 C ATOM 0 H PHE A 65 2.143 1.345 -14.272 1.00 0.69 H new ATOM 0 HA PHE A 65 4.363 0.969 -12.588 1.00 0.61 H new ATOM 0 HB2 PHE A 65 1.943 0.624 -12.011 1.00 0.62 H new ATOM 0 HB3 PHE A 65 1.927 -0.808 -13.022 1.00 0.62 H new ATOM 0 HD1 PHE A 65 3.501 0.672 -9.999 1.00 0.60 H new ATOM 0 HD2 PHE A 65 2.692 -2.891 -12.187 1.00 0.64 H new ATOM 0 HE1 PHE A 65 4.288 -0.675 -8.102 1.00 0.64 H new ATOM 0 HE2 PHE A 65 3.479 -4.239 -10.292 1.00 0.68 H new ATOM 0 HZ PHE A 65 4.279 -3.131 -8.245 1.00 0.66 H new ATOM 1039 N SER A 66 3.989 -1.276 -14.973 1.00 0.64 N ATOM 1040 CA SER A 66 4.648 -2.370 -15.677 1.00 0.68 C ATOM 1041 C SER A 66 6.007 -1.942 -16.230 1.00 0.66 C ATOM 1042 O SER A 66 6.945 -2.735 -16.264 1.00 0.68 O ATOM 1043 CB SER A 66 3.761 -2.881 -16.816 1.00 0.83 C ATOM 1044 OG SER A 66 2.496 -3.299 -16.331 1.00 1.20 O ATOM 0 H SER A 66 3.108 -0.978 -15.393 1.00 0.64 H new ATOM 0 HA SER A 66 4.812 -3.173 -14.959 1.00 0.68 H new ATOM 0 HB2 SER A 66 3.627 -2.094 -17.558 1.00 0.83 H new ATOM 0 HB3 SER A 66 4.254 -3.713 -17.319 1.00 0.83 H new ATOM 0 HG SER A 66 1.984 -2.517 -16.037 1.00 1.20 H new ATOM 1050 N ASP A 67 6.116 -0.689 -16.654 1.00 0.68 N ATOM 1051 CA ASP A 67 7.357 -0.207 -17.256 1.00 0.73 C ATOM 1052 C ASP A 67 8.309 0.378 -16.216 1.00 0.65 C ATOM 1053 O ASP A 67 9.498 0.069 -16.220 1.00 0.66 O ATOM 1054 CB ASP A 67 7.078 0.833 -18.341 1.00 0.89 C ATOM 1055 CG ASP A 67 8.356 1.312 -19.002 1.00 1.36 C ATOM 1056 OD1 ASP A 67 8.894 0.587 -19.864 1.00 1.41 O ATOM 1057 OD2 ASP A 67 8.826 2.416 -18.659 1.00 2.06 O ATOM 0 H ASP A 67 5.372 0.006 -16.594 1.00 0.68 H new ATOM 0 HA ASP A 67 7.839 -1.073 -17.709 1.00 0.73 H new ATOM 0 HB2 ASP A 67 6.417 0.404 -19.095 1.00 0.89 H new ATOM 0 HB3 ASP A 67 6.554 1.683 -17.904 1.00 0.89 H new ATOM 1062 N LEU A 68 7.783 1.205 -15.316 1.00 0.63 N ATOM 1063 CA LEU A 68 8.606 1.921 -14.341 1.00 0.66 C ATOM 1064 C LEU A 68 9.354 0.951 -13.424 1.00 0.57 C ATOM 1065 O LEU A 68 10.390 1.291 -12.852 1.00 0.63 O ATOM 1066 CB LEU A 68 7.723 2.864 -13.515 1.00 0.75 C ATOM 1067 CG LEU A 68 8.467 3.877 -12.640 1.00 0.81 C ATOM 1068 CD1 LEU A 68 9.291 4.822 -13.500 1.00 1.64 C ATOM 1069 CD2 LEU A 68 7.483 4.663 -11.788 1.00 1.07 C ATOM 0 H LEU A 68 6.784 1.398 -15.241 1.00 0.63 H new ATOM 0 HA LEU A 68 9.351 2.504 -14.882 1.00 0.66 H new ATOM 0 HB2 LEU A 68 7.071 3.410 -14.196 1.00 0.75 H new ATOM 0 HB3 LEU A 68 7.080 2.261 -12.874 1.00 0.75 H new ATOM 0 HG LEU A 68 9.143 3.332 -11.981 1.00 0.81 H new ATOM 0 HD11 LEU A 68 9.812 5.534 -12.861 1.00 1.64 H new ATOM 0 HD12 LEU A 68 10.019 4.250 -14.075 1.00 1.64 H new ATOM 0 HD13 LEU A 68 8.633 5.360 -14.182 1.00 1.64 H new ATOM 0 HD21 LEU A 68 8.026 5.379 -11.171 1.00 1.07 H new ATOM 0 HD22 LEU A 68 6.787 5.196 -12.435 1.00 1.07 H new ATOM 0 HD23 LEU A 68 6.930 3.978 -11.146 1.00 1.07 H new ATOM 1081 N THR A 69 8.838 -0.266 -13.311 1.00 0.49 N ATOM 1082 CA THR A 69 9.457 -1.290 -12.479 1.00 0.49 C ATOM 1083 C THR A 69 10.794 -1.770 -13.048 1.00 0.46 C ATOM 1084 O THR A 69 11.590 -2.376 -12.336 1.00 0.51 O ATOM 1085 CB THR A 69 8.518 -2.491 -12.269 1.00 0.51 C ATOM 1086 OG1 THR A 69 7.763 -2.732 -13.463 1.00 0.71 O ATOM 1087 CG2 THR A 69 7.576 -2.244 -11.102 1.00 0.63 C ATOM 0 H THR A 69 7.989 -0.569 -13.787 1.00 0.49 H new ATOM 0 HA THR A 69 9.650 -0.821 -11.514 1.00 0.49 H new ATOM 0 HB THR A 69 9.125 -3.367 -12.041 1.00 0.51 H new ATOM 0 HG1 THR A 69 6.972 -2.154 -13.472 1.00 0.71 H new ATOM 0 HG21 THR A 69 6.922 -3.107 -10.973 1.00 0.63 H new ATOM 0 HG22 THR A 69 8.156 -2.090 -10.192 1.00 0.63 H new ATOM 0 HG23 THR A 69 6.973 -1.358 -11.302 1.00 0.63 H new ATOM 1095 N SER A 70 11.047 -1.501 -14.327 1.00 0.46 N ATOM 1096 CA SER A 70 12.317 -1.885 -14.941 1.00 0.49 C ATOM 1097 C SER A 70 13.449 -1.012 -14.405 1.00 0.48 C ATOM 1098 O SER A 70 14.588 -1.460 -14.254 1.00 0.53 O ATOM 1099 CB SER A 70 12.240 -1.773 -16.468 1.00 0.57 C ATOM 1100 OG SER A 70 11.962 -0.442 -16.875 1.00 1.31 O ATOM 0 H SER A 70 10.398 -1.024 -14.953 1.00 0.46 H new ATOM 0 HA SER A 70 12.520 -2.924 -14.683 1.00 0.49 H new ATOM 0 HB2 SER A 70 13.183 -2.100 -16.907 1.00 0.57 H new ATOM 0 HB3 SER A 70 11.465 -2.440 -16.845 1.00 0.57 H new ATOM 0 HG SER A 70 10.999 -0.273 -16.807 1.00 1.31 H new ATOM 1106 N GLN A 71 13.113 0.235 -14.094 1.00 0.49 N ATOM 1107 CA GLN A 71 14.072 1.186 -13.550 1.00 0.53 C ATOM 1108 C GLN A 71 14.444 0.800 -12.122 1.00 0.46 C ATOM 1109 O GLN A 71 15.537 1.108 -11.641 1.00 0.53 O ATOM 1110 CB GLN A 71 13.471 2.595 -13.590 1.00 0.63 C ATOM 1111 CG GLN A 71 14.359 3.673 -12.992 1.00 0.69 C ATOM 1112 CD GLN A 71 13.730 5.054 -13.070 1.00 0.83 C ATOM 1113 OE1 GLN A 71 13.939 5.787 -14.037 1.00 1.22 O ATOM 1114 NE2 GLN A 71 12.939 5.412 -12.068 1.00 0.82 N ATOM 0 H GLN A 71 12.173 0.613 -14.212 1.00 0.49 H new ATOM 0 HA GLN A 71 14.980 1.171 -14.153 1.00 0.53 H new ATOM 0 HB2 GLN A 71 13.253 2.854 -14.626 1.00 0.63 H new ATOM 0 HB3 GLN A 71 12.521 2.587 -13.056 1.00 0.63 H new ATOM 0 HG2 GLN A 71 14.568 3.431 -11.950 1.00 0.69 H new ATOM 0 HG3 GLN A 71 15.315 3.683 -13.515 1.00 0.69 H new ATOM 0 HE21 GLN A 71 12.790 4.777 -11.284 1.00 0.82 H new ATOM 0 HE22 GLN A 71 12.479 6.322 -12.081 1.00 0.82 H new ATOM 1123 N LEU A 72 13.533 0.104 -11.462 1.00 0.39 N ATOM 1124 CA LEU A 72 13.734 -0.317 -10.084 1.00 0.33 C ATOM 1125 C LEU A 72 13.987 -1.823 -10.026 1.00 0.34 C ATOM 1126 O LEU A 72 13.990 -2.421 -8.955 1.00 0.37 O ATOM 1127 CB LEU A 72 12.504 0.067 -9.242 1.00 0.37 C ATOM 1128 CG LEU A 72 12.615 -0.178 -7.735 1.00 0.46 C ATOM 1129 CD1 LEU A 72 13.879 0.452 -7.174 1.00 0.96 C ATOM 1130 CD2 LEU A 72 11.391 0.374 -7.025 1.00 0.92 C ATOM 0 H LEU A 72 12.640 -0.184 -11.862 1.00 0.39 H new ATOM 0 HA LEU A 72 14.608 0.189 -9.674 1.00 0.33 H new ATOM 0 HB2 LEU A 72 12.295 1.125 -9.403 1.00 0.37 H new ATOM 0 HB3 LEU A 72 11.645 -0.489 -9.617 1.00 0.37 H new ATOM 0 HG LEU A 72 12.668 -1.253 -7.566 1.00 0.46 H new ATOM 0 HD11 LEU A 72 13.934 0.264 -6.102 1.00 0.96 H new ATOM 0 HD12 LEU A 72 14.750 0.018 -7.664 1.00 0.96 H new ATOM 0 HD13 LEU A 72 13.860 1.527 -7.353 1.00 0.96 H new ATOM 0 HD21 LEU A 72 11.480 0.194 -5.954 1.00 0.92 H new ATOM 0 HD22 LEU A 72 11.317 1.446 -7.208 1.00 0.92 H new ATOM 0 HD23 LEU A 72 10.497 -0.122 -7.403 1.00 0.92 H new ATOM 1142 N HIS A 73 14.223 -2.418 -11.193 1.00 0.41 N ATOM 1143 CA HIS A 73 14.418 -3.864 -11.303 1.00 0.46 C ATOM 1144 C HIS A 73 15.568 -4.316 -10.407 1.00 0.41 C ATOM 1145 O HIS A 73 16.723 -3.949 -10.633 1.00 0.45 O ATOM 1146 CB HIS A 73 14.695 -4.253 -12.762 1.00 0.60 C ATOM 1147 CG HIS A 73 14.705 -5.732 -13.011 1.00 1.34 C ATOM 1148 ND1 HIS A 73 13.905 -6.617 -12.323 1.00 2.07 N ATOM 1149 CD2 HIS A 73 15.410 -6.479 -13.893 1.00 2.33 C ATOM 1150 CE1 HIS A 73 14.114 -7.837 -12.769 1.00 2.86 C ATOM 1151 NE2 HIS A 73 15.022 -7.785 -13.722 1.00 3.01 N ATOM 0 H HIS A 73 14.284 -1.919 -12.081 1.00 0.41 H new ATOM 0 HA HIS A 73 13.506 -4.363 -10.975 1.00 0.46 H new ATOM 0 HB2 HIS A 73 13.939 -3.793 -13.399 1.00 0.60 H new ATOM 0 HB3 HIS A 73 15.658 -3.839 -13.060 1.00 0.60 H new ATOM 0 HD1 HIS A 73 13.251 -6.365 -11.582 1.00 2.07 H new ATOM 0 HD2 HIS A 73 16.141 -6.115 -14.600 1.00 2.33 H new ATOM 0 HE1 HIS A 73 13.623 -8.731 -12.413 1.00 2.86 H new ATOM 1160 N ILE A 74 15.246 -5.108 -9.392 1.00 0.37 N ATOM 1161 CA ILE A 74 16.227 -5.507 -8.401 1.00 0.36 C ATOM 1162 C ILE A 74 17.159 -6.594 -8.945 1.00 0.45 C ATOM 1163 O ILE A 74 16.736 -7.701 -9.286 1.00 0.61 O ATOM 1164 CB ILE A 74 15.544 -5.974 -7.089 1.00 0.31 C ATOM 1165 CG1 ILE A 74 16.597 -6.332 -6.040 1.00 0.31 C ATOM 1166 CG2 ILE A 74 14.608 -7.151 -7.334 1.00 0.35 C ATOM 1167 CD1 ILE A 74 16.023 -6.584 -4.669 1.00 0.34 C ATOM 0 H ILE A 74 14.311 -5.485 -9.237 1.00 0.37 H new ATOM 0 HA ILE A 74 16.833 -4.630 -8.172 1.00 0.36 H new ATOM 0 HB ILE A 74 14.941 -5.147 -6.713 1.00 0.31 H new ATOM 0 HG12 ILE A 74 17.136 -7.221 -6.368 1.00 0.31 H new ATOM 0 HG13 ILE A 74 17.324 -5.523 -5.977 1.00 0.31 H new ATOM 0 HG21 ILE A 74 14.147 -7.451 -6.393 1.00 0.35 H new ATOM 0 HG22 ILE A 74 13.832 -6.858 -8.041 1.00 0.35 H new ATOM 0 HG23 ILE A 74 15.175 -7.987 -7.744 1.00 0.35 H new ATOM 0 HD11 ILE A 74 16.828 -6.832 -3.977 1.00 0.34 H new ATOM 0 HD12 ILE A 74 15.508 -5.689 -4.320 1.00 0.34 H new ATOM 0 HD13 ILE A 74 15.317 -7.413 -4.717 1.00 0.34 H new ATOM 1179 N THR A 75 18.427 -6.245 -9.070 1.00 0.61 N ATOM 1180 CA THR A 75 19.439 -7.185 -9.507 1.00 0.73 C ATOM 1181 C THR A 75 20.301 -7.601 -8.316 1.00 0.58 C ATOM 1182 O THR A 75 20.170 -7.024 -7.233 1.00 0.57 O ATOM 1183 CB THR A 75 20.320 -6.569 -10.615 1.00 1.02 C ATOM 1184 OG1 THR A 75 20.874 -5.325 -10.172 1.00 1.38 O ATOM 1185 CG2 THR A 75 19.516 -6.344 -11.885 1.00 1.56 C ATOM 0 H THR A 75 18.781 -5.309 -8.873 1.00 0.61 H new ATOM 0 HA THR A 75 18.944 -8.065 -9.919 1.00 0.73 H new ATOM 0 HB THR A 75 21.127 -7.269 -10.832 1.00 1.02 H new ATOM 0 HG1 THR A 75 20.578 -5.143 -9.256 1.00 1.38 H new ATOM 0 HG21 THR A 75 20.159 -5.909 -12.650 1.00 1.56 H new ATOM 0 HG22 THR A 75 19.122 -7.296 -12.240 1.00 1.56 H new ATOM 0 HG23 THR A 75 18.689 -5.665 -11.677 1.00 1.56 H new ATOM 1193 N PRO A 76 21.175 -8.610 -8.477 1.00 0.66 N ATOM 1194 CA PRO A 76 22.068 -9.051 -7.401 1.00 0.73 C ATOM 1195 C PRO A 76 23.014 -7.940 -6.949 1.00 0.72 C ATOM 1196 O PRO A 76 24.061 -7.708 -7.559 1.00 0.81 O ATOM 1197 CB PRO A 76 22.852 -10.213 -8.021 1.00 0.93 C ATOM 1198 CG PRO A 76 22.700 -10.044 -9.495 1.00 1.06 C ATOM 1199 CD PRO A 76 21.355 -9.410 -9.699 1.00 0.90 C ATOM 0 HA PRO A 76 21.514 -9.337 -6.507 1.00 0.73 H new ATOM 0 HB2 PRO A 76 23.901 -10.182 -7.727 1.00 0.93 H new ATOM 0 HB3 PRO A 76 22.457 -11.174 -7.692 1.00 0.93 H new ATOM 0 HG2 PRO A 76 23.493 -9.416 -9.900 1.00 1.06 H new ATOM 0 HG3 PRO A 76 22.761 -11.004 -10.007 1.00 1.06 H new ATOM 0 HD2 PRO A 76 21.334 -8.789 -10.594 1.00 0.90 H new ATOM 0 HD3 PRO A 76 20.570 -10.158 -9.811 1.00 0.90 H new ATOM 1207 N GLY A 77 22.624 -7.236 -5.896 1.00 0.86 N ATOM 1208 CA GLY A 77 23.436 -6.152 -5.384 1.00 1.10 C ATOM 1209 C GLY A 77 22.720 -4.817 -5.427 1.00 1.00 C ATOM 1210 O GLY A 77 23.319 -3.775 -5.163 1.00 1.32 O ATOM 0 H GLY A 77 21.756 -7.398 -5.385 1.00 0.86 H new ATOM 0 HA2 GLY A 77 23.724 -6.373 -4.356 1.00 1.10 H new ATOM 0 HA3 GLY A 77 24.356 -6.086 -5.965 1.00 1.10 H new ATOM 1214 N THR A 78 21.442 -4.840 -5.776 1.00 0.85 N ATOM 1215 CA THR A 78 20.631 -3.634 -5.752 1.00 0.82 C ATOM 1216 C THR A 78 20.143 -3.363 -4.331 1.00 0.85 C ATOM 1217 O THR A 78 19.043 -3.756 -3.949 1.00 1.52 O ATOM 1218 CB THR A 78 19.432 -3.748 -6.717 1.00 0.90 C ATOM 1219 OG1 THR A 78 19.909 -4.060 -8.033 1.00 1.52 O ATOM 1220 CG2 THR A 78 18.636 -2.450 -6.767 1.00 1.15 C ATOM 0 H THR A 78 20.946 -5.679 -6.078 1.00 0.85 H new ATOM 0 HA THR A 78 21.250 -2.800 -6.084 1.00 0.82 H new ATOM 0 HB THR A 78 18.776 -4.539 -6.354 1.00 0.90 H new ATOM 0 HG1 THR A 78 19.509 -3.443 -8.681 1.00 1.52 H new ATOM 0 HG21 THR A 78 17.799 -2.563 -7.455 1.00 1.15 H new ATOM 0 HG22 THR A 78 18.258 -2.216 -5.772 1.00 1.15 H new ATOM 0 HG23 THR A 78 19.281 -1.641 -7.110 1.00 1.15 H new ATOM 1228 N ALA A 79 21.003 -2.734 -3.543 1.00 0.68 N ATOM 1229 CA ALA A 79 20.708 -2.434 -2.151 1.00 0.73 C ATOM 1230 C ALA A 79 19.928 -1.131 -2.032 1.00 0.62 C ATOM 1231 O ALA A 79 19.488 -0.567 -3.039 1.00 0.56 O ATOM 1232 CB ALA A 79 22.003 -2.349 -1.360 1.00 0.85 C ATOM 0 H ALA A 79 21.923 -2.418 -3.851 1.00 0.68 H new ATOM 0 HA ALA A 79 20.091 -3.235 -1.744 1.00 0.73 H new ATOM 0 HB1 ALA A 79 21.778 -2.124 -0.317 1.00 0.85 H new ATOM 0 HB2 ALA A 79 22.529 -3.302 -1.420 1.00 0.85 H new ATOM 0 HB3 ALA A 79 22.631 -1.560 -1.774 1.00 0.85 H new ATOM 1238 N TYR A 80 19.776 -0.638 -0.804 1.00 0.63 N ATOM 1239 CA TYR A 80 19.051 0.606 -0.564 1.00 0.58 C ATOM 1240 C TYR A 80 19.739 1.776 -1.264 1.00 0.50 C ATOM 1241 O TYR A 80 19.103 2.775 -1.583 1.00 0.46 O ATOM 1242 CB TYR A 80 18.911 0.891 0.940 1.00 0.67 C ATOM 1243 CG TYR A 80 18.185 2.184 1.248 1.00 0.80 C ATOM 1244 CD1 TYR A 80 16.829 2.321 0.979 1.00 0.89 C ATOM 1245 CD2 TYR A 80 18.852 3.261 1.821 1.00 1.14 C ATOM 1246 CE1 TYR A 80 16.160 3.492 1.270 1.00 1.24 C ATOM 1247 CE2 TYR A 80 18.187 4.436 2.118 1.00 1.55 C ATOM 1248 CZ TYR A 80 16.863 4.569 1.787 1.00 1.58 C ATOM 1249 OH TYR A 80 16.168 5.704 2.143 1.00 2.03 O ATOM 0 H TYR A 80 20.145 -1.081 0.038 1.00 0.63 H new ATOM 0 HA TYR A 80 18.050 0.490 -0.980 1.00 0.58 H new ATOM 0 HB2 TYR A 80 18.378 0.064 1.410 1.00 0.67 H new ATOM 0 HB3 TYR A 80 19.904 0.926 1.388 1.00 0.67 H new ATOM 0 HD1 TYR A 80 16.290 1.497 0.535 1.00 0.89 H new ATOM 0 HD2 TYR A 80 19.907 3.178 2.038 1.00 1.14 H new ATOM 0 HE1 TYR A 80 15.097 3.569 1.096 1.00 1.24 H new ATOM 0 HE2 TYR A 80 18.708 5.245 2.608 1.00 1.55 H new ATOM 0 HH TYR A 80 16.635 6.495 1.801 1.00 2.03 H new ATOM 1259 N GLN A 81 21.033 1.636 -1.529 1.00 0.56 N ATOM 1260 CA GLN A 81 21.782 2.680 -2.210 1.00 0.59 C ATOM 1261 C GLN A 81 21.233 2.909 -3.620 1.00 0.54 C ATOM 1262 O GLN A 81 21.070 4.049 -4.055 1.00 0.63 O ATOM 1263 CB GLN A 81 23.271 2.320 -2.269 1.00 0.72 C ATOM 1264 CG GLN A 81 24.127 3.386 -2.937 1.00 0.84 C ATOM 1265 CD GLN A 81 24.054 4.725 -2.224 1.00 1.40 C ATOM 1266 OE1 GLN A 81 24.862 5.012 -1.344 1.00 2.01 O ATOM 1267 NE2 GLN A 81 23.078 5.546 -2.589 1.00 2.18 N ATOM 0 H GLN A 81 21.582 0.812 -1.283 1.00 0.56 H new ATOM 0 HA GLN A 81 21.670 3.605 -1.644 1.00 0.59 H new ATOM 0 HB2 GLN A 81 23.637 2.154 -1.256 1.00 0.72 H new ATOM 0 HB3 GLN A 81 23.388 1.380 -2.809 1.00 0.72 H new ATOM 0 HG2 GLN A 81 25.163 3.050 -2.965 1.00 0.84 H new ATOM 0 HG3 GLN A 81 23.804 3.511 -3.971 1.00 0.84 H new ATOM 0 HE21 GLN A 81 22.428 5.270 -3.324 1.00 2.18 H new ATOM 0 HE22 GLN A 81 22.978 6.453 -2.134 1.00 2.18 H new ATOM 1276 N SER A 82 20.939 1.824 -4.322 1.00 0.48 N ATOM 1277 CA SER A 82 20.358 1.914 -5.654 1.00 0.47 C ATOM 1278 C SER A 82 18.849 2.130 -5.553 1.00 0.40 C ATOM 1279 O SER A 82 18.244 2.806 -6.389 1.00 0.42 O ATOM 1280 CB SER A 82 20.654 0.636 -6.441 1.00 0.55 C ATOM 1281 OG SER A 82 22.036 0.320 -6.393 1.00 1.17 O ATOM 0 H SER A 82 21.093 0.871 -3.992 1.00 0.48 H new ATOM 0 HA SER A 82 20.801 2.761 -6.177 1.00 0.47 H new ATOM 0 HB2 SER A 82 20.074 -0.191 -6.031 1.00 0.55 H new ATOM 0 HB3 SER A 82 20.342 0.762 -7.478 1.00 0.55 H new ATOM 0 HG SER A 82 22.202 -0.501 -6.901 1.00 1.17 H new ATOM 1287 N PHE A 83 18.260 1.558 -4.510 1.00 0.36 N ATOM 1288 CA PHE A 83 16.824 1.645 -4.270 1.00 0.33 C ATOM 1289 C PHE A 83 16.404 3.088 -3.979 1.00 0.31 C ATOM 1290 O PHE A 83 15.388 3.561 -4.493 1.00 0.32 O ATOM 1291 CB PHE A 83 16.448 0.717 -3.100 1.00 0.35 C ATOM 1292 CG PHE A 83 14.979 0.661 -2.775 1.00 0.33 C ATOM 1293 CD1 PHE A 83 14.106 -0.047 -3.588 1.00 0.38 C ATOM 1294 CD2 PHE A 83 14.467 1.328 -1.671 1.00 0.32 C ATOM 1295 CE1 PHE A 83 12.755 -0.089 -3.306 1.00 0.41 C ATOM 1296 CE2 PHE A 83 13.116 1.285 -1.385 1.00 0.34 C ATOM 1297 CZ PHE A 83 12.274 0.539 -2.146 1.00 0.38 C ATOM 0 H PHE A 83 18.765 1.020 -3.806 1.00 0.36 H new ATOM 0 HA PHE A 83 16.292 1.325 -5.166 1.00 0.33 H new ATOM 0 HB2 PHE A 83 16.792 -0.291 -3.332 1.00 0.35 H new ATOM 0 HB3 PHE A 83 16.989 1.042 -2.211 1.00 0.35 H new ATOM 0 HD1 PHE A 83 14.488 -0.571 -4.452 1.00 0.38 H new ATOM 0 HD2 PHE A 83 15.132 1.887 -1.029 1.00 0.32 H new ATOM 0 HE1 PHE A 83 12.075 -0.600 -3.971 1.00 0.41 H new ATOM 0 HE2 PHE A 83 12.727 1.849 -0.550 1.00 0.34 H new ATOM 0 HZ PHE A 83 11.238 0.429 -1.860 1.00 0.38 H new ATOM 1307 N GLU A 84 17.204 3.795 -3.185 1.00 0.34 N ATOM 1308 CA GLU A 84 16.876 5.161 -2.789 1.00 0.39 C ATOM 1309 C GLU A 84 16.893 6.097 -3.991 1.00 0.37 C ATOM 1310 O GLU A 84 16.075 7.004 -4.078 1.00 0.40 O ATOM 1311 CB GLU A 84 17.844 5.669 -1.711 1.00 0.51 C ATOM 1312 CG GLU A 84 17.550 7.094 -1.259 1.00 0.64 C ATOM 1313 CD GLU A 84 18.421 7.537 -0.103 1.00 0.90 C ATOM 1314 OE1 GLU A 84 19.607 7.860 -0.332 1.00 1.58 O ATOM 1315 OE2 GLU A 84 17.924 7.569 1.040 1.00 0.95 O ATOM 0 H GLU A 84 18.083 3.445 -2.804 1.00 0.34 H new ATOM 0 HA GLU A 84 15.869 5.150 -2.373 1.00 0.39 H new ATOM 0 HB2 GLU A 84 17.797 5.005 -0.848 1.00 0.51 H new ATOM 0 HB3 GLU A 84 18.863 5.620 -2.095 1.00 0.51 H new ATOM 0 HG2 GLU A 84 17.696 7.774 -2.099 1.00 0.64 H new ATOM 0 HG3 GLU A 84 16.502 7.168 -0.967 1.00 0.64 H new ATOM 1322 N GLN A 85 17.805 5.852 -4.926 1.00 0.37 N ATOM 1323 CA GLN A 85 17.921 6.689 -6.120 1.00 0.42 C ATOM 1324 C GLN A 85 16.602 6.722 -6.884 1.00 0.38 C ATOM 1325 O GLN A 85 16.227 7.740 -7.460 1.00 0.46 O ATOM 1326 CB GLN A 85 19.035 6.174 -7.036 1.00 0.50 C ATOM 1327 CG GLN A 85 20.432 6.269 -6.435 1.00 0.61 C ATOM 1328 CD GLN A 85 21.491 5.630 -7.312 1.00 1.44 C ATOM 1329 OE1 GLN A 85 21.374 5.606 -8.537 1.00 1.90 O ATOM 1330 NE2 GLN A 85 22.534 5.109 -6.691 1.00 2.16 N ATOM 0 H GLN A 85 18.474 5.083 -4.883 1.00 0.37 H new ATOM 0 HA GLN A 85 18.168 7.700 -5.797 1.00 0.42 H new ATOM 0 HB2 GLN A 85 18.830 5.134 -7.289 1.00 0.50 H new ATOM 0 HB3 GLN A 85 19.014 6.739 -7.968 1.00 0.50 H new ATOM 0 HG2 GLN A 85 20.683 7.317 -6.274 1.00 0.61 H new ATOM 0 HG3 GLN A 85 20.436 5.787 -5.458 1.00 0.61 H new ATOM 0 HE21 GLN A 85 22.594 5.149 -5.674 1.00 2.16 H new ATOM 0 HE22 GLN A 85 23.279 4.667 -7.229 1.00 2.16 H new ATOM 1339 N VAL A 86 15.892 5.606 -6.853 1.00 0.31 N ATOM 1340 CA VAL A 86 14.625 5.485 -7.547 1.00 0.31 C ATOM 1341 C VAL A 86 13.512 6.116 -6.727 1.00 0.29 C ATOM 1342 O VAL A 86 12.791 6.998 -7.196 1.00 0.32 O ATOM 1343 CB VAL A 86 14.275 4.008 -7.791 1.00 0.33 C ATOM 1344 CG1 VAL A 86 12.980 3.882 -8.574 1.00 0.38 C ATOM 1345 CG2 VAL A 86 15.413 3.301 -8.504 1.00 0.36 C ATOM 0 H VAL A 86 16.177 4.766 -6.350 1.00 0.31 H new ATOM 0 HA VAL A 86 14.721 5.999 -8.503 1.00 0.31 H new ATOM 0 HB VAL A 86 14.129 3.526 -6.824 1.00 0.33 H new ATOM 0 HG11 VAL A 86 12.753 2.828 -8.734 1.00 0.38 H new ATOM 0 HG12 VAL A 86 12.169 4.347 -8.013 1.00 0.38 H new ATOM 0 HG13 VAL A 86 13.087 4.381 -9.537 1.00 0.38 H new ATOM 0 HG21 VAL A 86 15.147 2.257 -8.668 1.00 0.36 H new ATOM 0 HG22 VAL A 86 15.597 3.784 -9.464 1.00 0.36 H new ATOM 0 HG23 VAL A 86 16.314 3.354 -7.893 1.00 0.36 H new ATOM 1355 N VAL A 87 13.385 5.652 -5.493 1.00 0.28 N ATOM 1356 CA VAL A 87 12.294 6.060 -4.624 1.00 0.32 C ATOM 1357 C VAL A 87 12.418 7.521 -4.188 1.00 0.35 C ATOM 1358 O VAL A 87 11.467 8.109 -3.672 1.00 0.37 O ATOM 1359 CB VAL A 87 12.202 5.146 -3.393 1.00 0.38 C ATOM 1360 CG1 VAL A 87 12.151 3.697 -3.837 1.00 0.38 C ATOM 1361 CG2 VAL A 87 13.366 5.377 -2.445 1.00 0.41 C ATOM 0 H VAL A 87 14.031 4.986 -5.069 1.00 0.28 H new ATOM 0 HA VAL A 87 11.376 5.966 -5.205 1.00 0.32 H new ATOM 0 HB VAL A 87 11.288 5.386 -2.851 1.00 0.38 H new ATOM 0 HG11 VAL A 87 12.086 3.050 -2.962 1.00 0.38 H new ATOM 0 HG12 VAL A 87 11.277 3.541 -4.470 1.00 0.38 H new ATOM 0 HG13 VAL A 87 13.053 3.457 -4.399 1.00 0.38 H new ATOM 0 HG21 VAL A 87 13.271 4.715 -1.584 1.00 0.41 H new ATOM 0 HG22 VAL A 87 14.303 5.169 -2.962 1.00 0.41 H new ATOM 0 HG23 VAL A 87 13.360 6.413 -2.108 1.00 0.41 H new ATOM 1371 N ASN A 88 13.587 8.105 -4.407 1.00 0.38 N ATOM 1372 CA ASN A 88 13.798 9.525 -4.125 1.00 0.47 C ATOM 1373 C ASN A 88 12.950 10.368 -5.068 1.00 0.44 C ATOM 1374 O ASN A 88 12.472 11.446 -4.708 1.00 0.45 O ATOM 1375 CB ASN A 88 15.279 9.902 -4.286 1.00 0.61 C ATOM 1376 CG ASN A 88 15.586 11.300 -3.778 1.00 0.78 C ATOM 1377 OD1 ASN A 88 14.991 11.765 -2.807 1.00 0.87 O ATOM 1378 ND2 ASN A 88 16.519 11.981 -4.427 1.00 0.97 N ATOM 0 H ASN A 88 14.405 7.622 -4.778 1.00 0.38 H new ATOM 0 HA ASN A 88 13.503 9.718 -3.094 1.00 0.47 H new ATOM 0 HB2 ASN A 88 15.894 9.181 -3.748 1.00 0.61 H new ATOM 0 HB3 ASN A 88 15.555 9.833 -5.338 1.00 0.61 H new ATOM 0 HD21 ASN A 88 16.765 12.924 -4.125 1.00 0.97 H new ATOM 0 HD22 ASN A 88 16.991 11.562 -5.228 1.00 0.97 H new ATOM 1385 N GLU A 89 12.725 9.842 -6.269 1.00 0.42 N ATOM 1386 CA GLU A 89 11.969 10.557 -7.285 1.00 0.45 C ATOM 1387 C GLU A 89 10.489 10.592 -6.925 1.00 0.38 C ATOM 1388 O GLU A 89 9.732 11.383 -7.479 1.00 0.43 O ATOM 1389 CB GLU A 89 12.161 9.919 -8.664 1.00 0.54 C ATOM 1390 CG GLU A 89 13.607 9.892 -9.138 1.00 0.65 C ATOM 1391 CD GLU A 89 13.742 9.378 -10.556 1.00 1.23 C ATOM 1392 OE1 GLU A 89 13.469 8.183 -10.790 1.00 2.04 O ATOM 1393 OE2 GLU A 89 14.138 10.162 -11.447 1.00 1.28 O ATOM 0 H GLU A 89 13.057 8.922 -6.560 1.00 0.42 H new ATOM 0 HA GLU A 89 12.346 11.579 -7.325 1.00 0.45 H new ATOM 0 HB2 GLU A 89 11.779 8.898 -8.637 1.00 0.54 H new ATOM 0 HB3 GLU A 89 11.561 10.465 -9.392 1.00 0.54 H new ATOM 0 HG2 GLU A 89 14.025 10.897 -9.078 1.00 0.65 H new ATOM 0 HG3 GLU A 89 14.194 9.262 -8.469 1.00 0.65 H new ATOM 1400 N LEU A 90 10.084 9.738 -5.989 1.00 0.31 N ATOM 1401 CA LEU A 90 8.709 9.727 -5.512 1.00 0.27 C ATOM 1402 C LEU A 90 8.433 10.983 -4.704 1.00 0.25 C ATOM 1403 O LEU A 90 7.390 11.619 -4.851 1.00 0.26 O ATOM 1404 CB LEU A 90 8.442 8.497 -4.646 1.00 0.26 C ATOM 1405 CG LEU A 90 8.702 7.151 -5.312 1.00 0.30 C ATOM 1406 CD1 LEU A 90 8.548 6.033 -4.300 1.00 0.31 C ATOM 1407 CD2 LEU A 90 7.754 6.937 -6.479 1.00 0.37 C ATOM 0 H LEU A 90 10.690 9.046 -5.548 1.00 0.31 H new ATOM 0 HA LEU A 90 8.048 9.694 -6.378 1.00 0.27 H new ATOM 0 HB2 LEU A 90 9.060 8.564 -3.751 1.00 0.26 H new ATOM 0 HB3 LEU A 90 7.403 8.525 -4.318 1.00 0.26 H new ATOM 0 HG LEU A 90 9.723 7.146 -5.695 1.00 0.30 H new ATOM 0 HD11 LEU A 90 8.736 5.075 -4.785 1.00 0.31 H new ATOM 0 HD12 LEU A 90 9.262 6.175 -3.489 1.00 0.31 H new ATOM 0 HD13 LEU A 90 7.535 6.044 -3.897 1.00 0.31 H new ATOM 0 HD21 LEU A 90 7.957 5.970 -6.940 1.00 0.37 H new ATOM 0 HD22 LEU A 90 6.725 6.959 -6.121 1.00 0.37 H new ATOM 0 HD23 LEU A 90 7.899 7.728 -7.215 1.00 0.37 H new ATOM 1419 N PHE A 91 9.384 11.342 -3.857 1.00 0.27 N ATOM 1420 CA PHE A 91 9.257 12.537 -3.041 1.00 0.29 C ATOM 1421 C PHE A 91 9.501 13.767 -3.909 1.00 0.33 C ATOM 1422 O PHE A 91 8.833 14.793 -3.761 1.00 0.33 O ATOM 1423 CB PHE A 91 10.250 12.497 -1.873 1.00 0.35 C ATOM 1424 CG PHE A 91 9.774 13.226 -0.647 1.00 0.37 C ATOM 1425 CD1 PHE A 91 9.876 14.608 -0.569 1.00 0.46 C ATOM 1426 CD2 PHE A 91 9.228 12.538 0.425 1.00 0.37 C ATOM 1427 CE1 PHE A 91 9.444 15.286 0.554 1.00 0.53 C ATOM 1428 CE2 PHE A 91 8.796 13.213 1.550 1.00 0.43 C ATOM 1429 CZ PHE A 91 8.883 14.558 1.624 1.00 0.50 C ATOM 0 H PHE A 91 10.251 10.823 -3.717 1.00 0.27 H new ATOM 0 HA PHE A 91 8.250 12.585 -2.626 1.00 0.29 H new ATOM 0 HB2 PHE A 91 10.448 11.457 -1.612 1.00 0.35 H new ATOM 0 HB3 PHE A 91 11.196 12.930 -2.198 1.00 0.35 H new ATOM 0 HD1 PHE A 91 10.298 15.160 -1.396 1.00 0.46 H new ATOM 0 HD2 PHE A 91 9.139 11.463 0.380 1.00 0.37 H new ATOM 0 HE1 PHE A 91 9.535 16.361 0.612 1.00 0.53 H new ATOM 0 HE2 PHE A 91 8.384 12.658 2.380 1.00 0.43 H new ATOM 0 HZ PHE A 91 8.524 15.076 2.501 1.00 0.50 H new ATOM 1439 N ARG A 92 10.437 13.632 -4.848 1.00 0.39 N ATOM 1440 CA ARG A 92 10.785 14.713 -5.764 1.00 0.49 C ATOM 1441 C ARG A 92 9.651 14.963 -6.766 1.00 0.51 C ATOM 1442 O ARG A 92 9.614 15.989 -7.444 1.00 0.62 O ATOM 1443 CB ARG A 92 12.083 14.365 -6.500 1.00 0.56 C ATOM 1444 CG ARG A 92 12.677 15.521 -7.293 1.00 1.24 C ATOM 1445 CD ARG A 92 13.064 16.676 -6.382 1.00 1.54 C ATOM 1446 NE ARG A 92 14.053 16.281 -5.378 1.00 2.30 N ATOM 1447 CZ ARG A 92 13.937 16.536 -4.073 1.00 2.99 C ATOM 1448 NH1 ARG A 92 12.845 17.125 -3.600 1.00 3.13 N ATOM 1449 NH2 ARG A 92 14.901 16.182 -3.235 1.00 3.95 N ATOM 0 H ARG A 92 10.971 12.775 -4.993 1.00 0.39 H new ATOM 0 HA ARG A 92 10.933 15.627 -5.189 1.00 0.49 H new ATOM 0 HB2 ARG A 92 12.819 14.021 -5.773 1.00 0.56 H new ATOM 0 HB3 ARG A 92 11.892 13.533 -7.178 1.00 0.56 H new ATOM 0 HG2 ARG A 92 13.555 15.176 -7.840 1.00 1.24 H new ATOM 0 HG3 ARG A 92 11.955 15.865 -8.034 1.00 1.24 H new ATOM 0 HD2 ARG A 92 13.465 17.492 -6.983 1.00 1.54 H new ATOM 0 HD3 ARG A 92 12.173 17.056 -5.882 1.00 1.54 H new ATOM 0 HE ARG A 92 14.883 15.780 -5.695 1.00 2.30 H new ATOM 0 HH11 ARG A 92 12.090 17.385 -4.235 1.00 3.13 H new ATOM 0 HH12 ARG A 92 12.761 17.318 -2.602 1.00 3.13 H new ATOM 0 HH21 ARG A 92 15.736 15.713 -3.587 1.00 3.95 H new ATOM 0 HH22 ARG A 92 14.808 16.379 -2.238 1.00 3.95 H new ATOM 1463 N ASP A 93 8.722 14.017 -6.833 1.00 0.46 N ATOM 1464 CA ASP A 93 7.552 14.117 -7.711 1.00 0.53 C ATOM 1465 C ASP A 93 6.516 15.074 -7.114 1.00 0.50 C ATOM 1466 O ASP A 93 5.454 15.309 -7.690 1.00 0.60 O ATOM 1467 CB ASP A 93 6.936 12.714 -7.908 1.00 0.62 C ATOM 1468 CG ASP A 93 5.725 12.693 -8.825 1.00 0.90 C ATOM 1469 OD1 ASP A 93 5.909 12.707 -10.060 1.00 1.14 O ATOM 1470 OD2 ASP A 93 4.583 12.697 -8.316 1.00 1.11 O ATOM 0 H ASP A 93 8.754 13.159 -6.283 1.00 0.46 H new ATOM 0 HA ASP A 93 7.863 14.512 -8.678 1.00 0.53 H new ATOM 0 HB2 ASP A 93 7.698 12.048 -8.314 1.00 0.62 H new ATOM 0 HB3 ASP A 93 6.649 12.315 -6.935 1.00 0.62 H new ATOM 1475 N GLY A 94 6.841 15.657 -5.966 1.00 0.45 N ATOM 1476 CA GLY A 94 5.861 16.451 -5.261 1.00 0.47 C ATOM 1477 C GLY A 94 5.010 15.572 -4.378 1.00 0.39 C ATOM 1478 O GLY A 94 3.825 15.839 -4.207 1.00 0.42 O ATOM 0 H GLY A 94 7.755 15.594 -5.518 1.00 0.45 H new ATOM 0 HA2 GLY A 94 6.362 17.207 -4.657 1.00 0.47 H new ATOM 0 HA3 GLY A 94 5.230 16.980 -5.975 1.00 0.47 H new ATOM 1482 N VAL A 95 5.656 14.536 -3.827 1.00 0.32 N ATOM 1483 CA VAL A 95 5.010 13.395 -3.160 1.00 0.26 C ATOM 1484 C VAL A 95 3.562 13.642 -2.733 1.00 0.25 C ATOM 1485 O VAL A 95 3.268 14.437 -1.840 1.00 0.29 O ATOM 1486 CB VAL A 95 5.836 12.932 -1.935 1.00 0.31 C ATOM 1487 CG1 VAL A 95 6.109 14.089 -0.987 1.00 0.40 C ATOM 1488 CG2 VAL A 95 5.136 11.791 -1.209 1.00 0.33 C ATOM 0 H VAL A 95 6.674 14.465 -3.833 1.00 0.32 H new ATOM 0 HA VAL A 95 4.978 12.612 -3.917 1.00 0.26 H new ATOM 0 HB VAL A 95 6.796 12.566 -2.300 1.00 0.31 H new ATOM 0 HG11 VAL A 95 6.691 13.733 -0.137 1.00 0.40 H new ATOM 0 HG12 VAL A 95 6.669 14.864 -1.511 1.00 0.40 H new ATOM 0 HG13 VAL A 95 5.164 14.500 -0.633 1.00 0.40 H new ATOM 0 HG21 VAL A 95 5.735 11.483 -0.352 1.00 0.33 H new ATOM 0 HG22 VAL A 95 4.157 12.125 -0.866 1.00 0.33 H new ATOM 0 HG23 VAL A 95 5.014 10.948 -1.889 1.00 0.33 H new ATOM 1498 N ASN A 96 2.664 12.980 -3.440 1.00 0.24 N ATOM 1499 CA ASN A 96 1.264 12.907 -3.052 1.00 0.29 C ATOM 1500 C ASN A 96 1.013 11.557 -2.401 1.00 0.23 C ATOM 1501 O ASN A 96 1.918 10.719 -2.348 1.00 0.21 O ATOM 1502 CB ASN A 96 0.340 13.080 -4.269 1.00 0.41 C ATOM 1503 CG ASN A 96 0.136 14.528 -4.687 1.00 1.33 C ATOM 1504 OD1 ASN A 96 -0.898 14.875 -5.258 1.00 2.13 O ATOM 1505 ND2 ASN A 96 1.106 15.383 -4.411 1.00 2.00 N ATOM 0 H ASN A 96 2.883 12.477 -4.300 1.00 0.24 H new ATOM 0 HA ASN A 96 1.046 13.714 -2.352 1.00 0.29 H new ATOM 0 HB2 ASN A 96 0.755 12.524 -5.110 1.00 0.41 H new ATOM 0 HB3 ASN A 96 -0.630 12.637 -4.042 1.00 0.41 H new ATOM 0 HD21 ASN A 96 1.011 16.364 -4.672 1.00 2.00 H new ATOM 0 HD22 ASN A 96 1.950 15.061 -3.937 1.00 2.00 H new ATOM 1512 N TRP A 97 -0.202 11.327 -1.920 1.00 0.25 N ATOM 1513 CA TRP A 97 -0.543 10.048 -1.304 1.00 0.24 C ATOM 1514 C TRP A 97 -0.342 8.891 -2.289 1.00 0.25 C ATOM 1515 O TRP A 97 -0.052 7.764 -1.884 1.00 0.25 O ATOM 1516 CB TRP A 97 -1.984 10.059 -0.780 1.00 0.27 C ATOM 1517 CG TRP A 97 -2.209 11.039 0.341 1.00 0.28 C ATOM 1518 CD1 TRP A 97 -2.950 12.187 0.293 1.00 0.32 C ATOM 1519 CD2 TRP A 97 -1.684 10.960 1.676 1.00 0.27 C ATOM 1520 NE1 TRP A 97 -2.918 12.822 1.511 1.00 0.34 N ATOM 1521 CE2 TRP A 97 -2.149 12.090 2.375 1.00 0.30 C ATOM 1522 CE3 TRP A 97 -0.869 10.044 2.352 1.00 0.26 C ATOM 1523 CZ2 TRP A 97 -1.824 12.330 3.708 1.00 0.32 C ATOM 1524 CZ3 TRP A 97 -0.549 10.284 3.675 1.00 0.27 C ATOM 1525 CH2 TRP A 97 -1.027 11.418 4.341 1.00 0.30 C ATOM 0 H TRP A 97 -0.965 12.004 -1.943 1.00 0.25 H new ATOM 0 HA TRP A 97 0.129 9.898 -0.459 1.00 0.24 H new ATOM 0 HB2 TRP A 97 -2.659 10.298 -1.602 1.00 0.27 H new ATOM 0 HB3 TRP A 97 -2.244 9.058 -0.435 1.00 0.27 H new ATOM 0 HD1 TRP A 97 -3.483 12.543 -0.576 1.00 0.32 H new ATOM 0 HE1 TRP A 97 -3.391 13.697 1.735 1.00 0.34 H new ATOM 0 HE3 TRP A 97 -0.497 9.164 1.848 1.00 0.26 H new ATOM 0 HZ2 TRP A 97 -2.189 13.206 4.223 1.00 0.32 H new ATOM 0 HZ3 TRP A 97 0.081 9.584 4.204 1.00 0.27 H new ATOM 0 HH2 TRP A 97 -0.761 11.576 5.376 1.00 0.30 H new ATOM 1536 N GLY A 98 -0.460 9.187 -3.583 1.00 0.27 N ATOM 1537 CA GLY A 98 -0.293 8.168 -4.606 1.00 0.29 C ATOM 1538 C GLY A 98 1.143 7.690 -4.743 1.00 0.26 C ATOM 1539 O GLY A 98 1.391 6.604 -5.266 1.00 0.27 O ATOM 0 H GLY A 98 -0.669 10.119 -3.941 1.00 0.27 H new ATOM 0 HA2 GLY A 98 -0.932 7.317 -4.370 1.00 0.29 H new ATOM 0 HA3 GLY A 98 -0.631 8.564 -5.564 1.00 0.29 H new ATOM 1543 N ARG A 99 2.093 8.490 -4.266 1.00 0.26 N ATOM 1544 CA ARG A 99 3.501 8.100 -4.314 1.00 0.25 C ATOM 1545 C ARG A 99 3.758 7.010 -3.293 1.00 0.21 C ATOM 1546 O ARG A 99 4.563 6.110 -3.516 1.00 0.20 O ATOM 1547 CB ARG A 99 4.431 9.289 -4.048 1.00 0.30 C ATOM 1548 CG ARG A 99 4.523 10.301 -5.185 1.00 0.70 C ATOM 1549 CD ARG A 99 5.076 9.689 -6.469 1.00 1.40 C ATOM 1550 NE ARG A 99 4.027 9.115 -7.310 1.00 1.74 N ATOM 1551 CZ ARG A 99 4.250 8.511 -8.479 1.00 2.46 C ATOM 1552 NH1 ARG A 99 5.492 8.364 -8.934 1.00 3.06 N ATOM 1553 NH2 ARG A 99 3.229 8.058 -9.197 1.00 2.98 N ATOM 0 H ARG A 99 1.918 9.403 -3.846 1.00 0.26 H new ATOM 0 HA ARG A 99 3.714 7.731 -5.317 1.00 0.25 H new ATOM 0 HB2 ARG A 99 4.090 9.804 -3.150 1.00 0.30 H new ATOM 0 HB3 ARG A 99 5.431 8.909 -3.838 1.00 0.30 H new ATOM 0 HG2 ARG A 99 3.533 10.714 -5.380 1.00 0.70 H new ATOM 0 HG3 ARG A 99 5.160 11.131 -4.878 1.00 0.70 H new ATOM 0 HD2 ARG A 99 5.611 10.454 -7.032 1.00 1.40 H new ATOM 0 HD3 ARG A 99 5.800 8.914 -6.216 1.00 1.40 H new ATOM 0 HE ARG A 99 3.063 9.180 -6.982 1.00 1.74 H new ATOM 0 HH11 ARG A 99 6.280 8.714 -8.389 1.00 3.06 H new ATOM 0 HH12 ARG A 99 5.656 7.901 -9.828 1.00 3.06 H new ATOM 0 HH21 ARG A 99 2.275 8.172 -8.855 1.00 2.98 H new ATOM 0 HH22 ARG A 99 3.399 7.596 -10.091 1.00 2.98 H new ATOM 1567 N ILE A 100 3.046 7.094 -2.176 1.00 0.22 N ATOM 1568 CA ILE A 100 3.111 6.075 -1.145 1.00 0.21 C ATOM 1569 C ILE A 100 2.532 4.780 -1.689 1.00 0.20 C ATOM 1570 O ILE A 100 3.095 3.701 -1.510 1.00 0.19 O ATOM 1571 CB ILE A 100 2.326 6.507 0.112 1.00 0.24 C ATOM 1572 CG1 ILE A 100 2.913 7.800 0.686 1.00 0.26 C ATOM 1573 CG2 ILE A 100 2.336 5.404 1.155 1.00 0.24 C ATOM 1574 CD1 ILE A 100 2.263 8.241 1.976 1.00 0.30 C ATOM 0 H ILE A 100 2.413 7.865 -1.964 1.00 0.22 H new ATOM 0 HA ILE A 100 4.153 5.930 -0.861 1.00 0.21 H new ATOM 0 HB ILE A 100 1.291 6.694 -0.173 1.00 0.24 H new ATOM 0 HG12 ILE A 100 3.980 7.660 0.857 1.00 0.26 H new ATOM 0 HG13 ILE A 100 2.810 8.595 -0.053 1.00 0.26 H new ATOM 0 HG21 ILE A 100 1.777 5.728 2.033 1.00 0.24 H new ATOM 0 HG22 ILE A 100 1.873 4.508 0.741 1.00 0.24 H new ATOM 0 HG23 ILE A 100 3.364 5.183 1.441 1.00 0.24 H new ATOM 0 HD11 ILE A 100 2.730 9.163 2.322 1.00 0.30 H new ATOM 0 HD12 ILE A 100 1.200 8.414 1.807 1.00 0.30 H new ATOM 0 HD13 ILE A 100 2.389 7.465 2.731 1.00 0.30 H new ATOM 1586 N VAL A 101 1.408 4.914 -2.375 1.00 0.21 N ATOM 1587 CA VAL A 101 0.757 3.797 -3.031 1.00 0.21 C ATOM 1588 C VAL A 101 1.722 3.106 -3.983 1.00 0.20 C ATOM 1589 O VAL A 101 1.926 1.892 -3.913 1.00 0.21 O ATOM 1590 CB VAL A 101 -0.464 4.279 -3.825 1.00 0.25 C ATOM 1591 CG1 VAL A 101 -1.171 3.108 -4.474 1.00 0.29 C ATOM 1592 CG2 VAL A 101 -1.407 5.051 -2.925 1.00 0.26 C ATOM 0 H VAL A 101 0.922 5.803 -2.491 1.00 0.21 H new ATOM 0 HA VAL A 101 0.437 3.095 -2.261 1.00 0.21 H new ATOM 0 HB VAL A 101 -0.124 4.948 -4.616 1.00 0.25 H new ATOM 0 HG11 VAL A 101 -2.035 3.469 -5.033 1.00 0.29 H new ATOM 0 HG12 VAL A 101 -0.486 2.600 -5.153 1.00 0.29 H new ATOM 0 HG13 VAL A 101 -1.502 2.411 -3.704 1.00 0.29 H new ATOM 0 HG21 VAL A 101 -2.268 5.386 -3.503 1.00 0.26 H new ATOM 0 HG22 VAL A 101 -1.743 4.407 -2.113 1.00 0.26 H new ATOM 0 HG23 VAL A 101 -0.889 5.916 -2.511 1.00 0.26 H new ATOM 1602 N ALA A 102 2.309 3.895 -4.872 1.00 0.19 N ATOM 1603 CA ALA A 102 3.266 3.386 -5.838 1.00 0.19 C ATOM 1604 C ALA A 102 4.446 2.725 -5.133 1.00 0.17 C ATOM 1605 O ALA A 102 4.877 1.640 -5.518 1.00 0.19 O ATOM 1606 CB ALA A 102 3.742 4.512 -6.740 1.00 0.21 C ATOM 0 H ALA A 102 2.136 4.898 -4.942 1.00 0.19 H new ATOM 0 HA ALA A 102 2.775 2.630 -6.451 1.00 0.19 H new ATOM 0 HB1 ALA A 102 4.460 4.122 -7.462 1.00 0.21 H new ATOM 0 HB2 ALA A 102 2.890 4.939 -7.270 1.00 0.21 H new ATOM 0 HB3 ALA A 102 4.218 5.285 -6.137 1.00 0.21 H new ATOM 1612 N PHE A 103 4.934 3.374 -4.082 1.00 0.16 N ATOM 1613 CA PHE A 103 6.067 2.875 -3.305 1.00 0.17 C ATOM 1614 C PHE A 103 5.780 1.481 -2.751 1.00 0.17 C ATOM 1615 O PHE A 103 6.604 0.571 -2.865 1.00 0.21 O ATOM 1616 CB PHE A 103 6.385 3.847 -2.160 1.00 0.17 C ATOM 1617 CG PHE A 103 7.520 3.408 -1.275 1.00 0.19 C ATOM 1618 CD1 PHE A 103 8.803 3.273 -1.784 1.00 0.29 C ATOM 1619 CD2 PHE A 103 7.303 3.125 0.062 1.00 0.17 C ATOM 1620 CE1 PHE A 103 9.844 2.868 -0.975 1.00 0.32 C ATOM 1621 CE2 PHE A 103 8.342 2.720 0.876 1.00 0.20 C ATOM 1622 CZ PHE A 103 9.616 2.603 0.361 1.00 0.26 C ATOM 0 H PHE A 103 4.558 4.259 -3.743 1.00 0.16 H new ATOM 0 HA PHE A 103 6.932 2.804 -3.965 1.00 0.17 H new ATOM 0 HB2 PHE A 103 6.625 4.823 -2.583 1.00 0.17 H new ATOM 0 HB3 PHE A 103 5.492 3.976 -1.549 1.00 0.17 H new ATOM 0 HD1 PHE A 103 8.989 3.488 -2.826 1.00 0.29 H new ATOM 0 HD2 PHE A 103 6.309 3.222 0.474 1.00 0.17 H new ATOM 0 HE1 PHE A 103 10.837 2.758 -1.386 1.00 0.32 H new ATOM 0 HE2 PHE A 103 8.157 2.495 1.916 1.00 0.20 H new ATOM 0 HZ PHE A 103 10.433 2.305 1.001 1.00 0.26 H new ATOM 1632 N PHE A 104 4.600 1.316 -2.174 1.00 0.16 N ATOM 1633 CA PHE A 104 4.210 0.044 -1.583 1.00 0.18 C ATOM 1634 C PHE A 104 3.939 -0.995 -2.664 1.00 0.19 C ATOM 1635 O PHE A 104 4.150 -2.193 -2.462 1.00 0.23 O ATOM 1636 CB PHE A 104 2.976 0.226 -0.694 1.00 0.19 C ATOM 1637 CG PHE A 104 3.281 0.784 0.672 1.00 0.21 C ATOM 1638 CD1 PHE A 104 3.967 1.981 0.822 1.00 0.24 C ATOM 1639 CD2 PHE A 104 2.883 0.102 1.809 1.00 0.29 C ATOM 1640 CE1 PHE A 104 4.244 2.485 2.077 1.00 0.27 C ATOM 1641 CE2 PHE A 104 3.158 0.602 3.064 1.00 0.33 C ATOM 1642 CZ PHE A 104 3.839 1.794 3.199 1.00 0.30 C ATOM 0 H PHE A 104 3.894 2.048 -2.102 1.00 0.16 H new ATOM 0 HA PHE A 104 5.035 -0.314 -0.966 1.00 0.18 H new ATOM 0 HB2 PHE A 104 2.273 0.890 -1.197 1.00 0.19 H new ATOM 0 HB3 PHE A 104 2.479 -0.737 -0.579 1.00 0.19 H new ATOM 0 HD1 PHE A 104 4.288 2.525 -0.054 1.00 0.24 H new ATOM 0 HD2 PHE A 104 2.351 -0.833 1.712 1.00 0.29 H new ATOM 0 HE1 PHE A 104 4.777 3.419 2.180 1.00 0.27 H new ATOM 0 HE2 PHE A 104 2.840 0.060 3.942 1.00 0.33 H new ATOM 0 HZ PHE A 104 4.055 2.185 4.182 1.00 0.30 H new ATOM 1652 N SER A 105 3.479 -0.531 -3.816 1.00 0.18 N ATOM 1653 CA SER A 105 3.229 -1.416 -4.941 1.00 0.21 C ATOM 1654 C SER A 105 4.546 -1.923 -5.535 1.00 0.21 C ATOM 1655 O SER A 105 4.650 -3.096 -5.906 1.00 0.23 O ATOM 1656 CB SER A 105 2.389 -0.705 -6.003 1.00 0.25 C ATOM 1657 OG SER A 105 1.149 -0.274 -5.460 1.00 1.04 O ATOM 0 H SER A 105 3.272 0.452 -3.995 1.00 0.18 H new ATOM 0 HA SER A 105 2.668 -2.279 -4.583 1.00 0.21 H new ATOM 0 HB2 SER A 105 2.938 0.152 -6.393 1.00 0.25 H new ATOM 0 HB3 SER A 105 2.210 -1.378 -6.842 1.00 0.25 H new ATOM 0 HG SER A 105 1.300 0.493 -4.869 1.00 1.04 H new ATOM 1663 N PHE A 106 5.557 -1.053 -5.589 1.00 0.20 N ATOM 1664 CA PHE A 106 6.860 -1.422 -6.143 1.00 0.21 C ATOM 1665 C PHE A 106 7.484 -2.558 -5.347 1.00 0.22 C ATOM 1666 O PHE A 106 7.903 -3.559 -5.920 1.00 0.24 O ATOM 1667 CB PHE A 106 7.828 -0.229 -6.154 1.00 0.23 C ATOM 1668 CG PHE A 106 7.449 0.883 -7.094 1.00 0.24 C ATOM 1669 CD1 PHE A 106 6.833 0.616 -8.306 1.00 0.30 C ATOM 1670 CD2 PHE A 106 7.723 2.202 -6.764 1.00 0.27 C ATOM 1671 CE1 PHE A 106 6.495 1.642 -9.168 1.00 0.35 C ATOM 1672 CE2 PHE A 106 7.388 3.230 -7.622 1.00 0.30 C ATOM 1673 CZ PHE A 106 6.773 2.950 -8.825 1.00 0.33 C ATOM 0 H PHE A 106 5.498 -0.091 -5.257 1.00 0.20 H new ATOM 0 HA PHE A 106 6.688 -1.745 -7.170 1.00 0.21 H new ATOM 0 HB2 PHE A 106 7.896 0.175 -5.144 1.00 0.23 H new ATOM 0 HB3 PHE A 106 8.822 -0.588 -6.421 1.00 0.23 H new ATOM 0 HD1 PHE A 106 6.614 -0.405 -8.580 1.00 0.30 H new ATOM 0 HD2 PHE A 106 8.204 2.428 -5.824 1.00 0.27 H new ATOM 0 HE1 PHE A 106 6.014 1.421 -10.109 1.00 0.35 H new ATOM 0 HE2 PHE A 106 7.607 4.253 -7.352 1.00 0.30 H new ATOM 0 HZ PHE A 106 6.509 3.753 -9.497 1.00 0.33 H new ATOM 1683 N GLY A 107 7.521 -2.402 -4.025 1.00 0.23 N ATOM 1684 CA GLY A 107 8.157 -3.392 -3.170 1.00 0.27 C ATOM 1685 C GLY A 107 7.605 -4.789 -3.373 1.00 0.32 C ATOM 1686 O GLY A 107 8.356 -5.762 -3.367 1.00 0.37 O ATOM 0 H GLY A 107 7.121 -1.605 -3.530 1.00 0.23 H new ATOM 0 HA2 GLY A 107 9.229 -3.399 -3.366 1.00 0.27 H new ATOM 0 HA3 GLY A 107 8.025 -3.103 -2.127 1.00 0.27 H new ATOM 1690 N GLY A 108 6.294 -4.883 -3.560 1.00 0.33 N ATOM 1691 CA GLY A 108 5.667 -6.171 -3.797 1.00 0.41 C ATOM 1692 C GLY A 108 6.180 -6.827 -5.060 1.00 0.42 C ATOM 1693 O GLY A 108 6.491 -8.015 -5.068 1.00 0.63 O ATOM 0 H GLY A 108 5.653 -4.090 -3.552 1.00 0.33 H new ATOM 0 HA2 GLY A 108 5.853 -6.827 -2.946 1.00 0.41 H new ATOM 0 HA3 GLY A 108 4.587 -6.041 -3.869 1.00 0.41 H new ATOM 1697 N ALA A 109 6.292 -6.038 -6.121 1.00 0.27 N ATOM 1698 CA ALA A 109 6.793 -6.530 -7.394 1.00 0.26 C ATOM 1699 C ALA A 109 8.262 -6.902 -7.274 1.00 0.23 C ATOM 1700 O ALA A 109 8.699 -7.932 -7.795 1.00 0.24 O ATOM 1701 CB ALA A 109 6.594 -5.481 -8.473 1.00 0.29 C ATOM 0 H ALA A 109 6.041 -5.049 -6.123 1.00 0.27 H new ATOM 0 HA ALA A 109 6.234 -7.424 -7.672 1.00 0.26 H new ATOM 0 HB1 ALA A 109 6.973 -5.859 -9.423 1.00 0.29 H new ATOM 0 HB2 ALA A 109 5.532 -5.255 -8.570 1.00 0.29 H new ATOM 0 HB3 ALA A 109 7.134 -4.574 -8.203 1.00 0.29 H new ATOM 1707 N LEU A 110 9.006 -6.060 -6.565 1.00 0.22 N ATOM 1708 CA LEU A 110 10.426 -6.275 -6.328 1.00 0.23 C ATOM 1709 C LEU A 110 10.656 -7.597 -5.625 1.00 0.21 C ATOM 1710 O LEU A 110 11.518 -8.382 -6.013 1.00 0.21 O ATOM 1711 CB LEU A 110 10.986 -5.144 -5.472 1.00 0.25 C ATOM 1712 CG LEU A 110 10.901 -3.763 -6.099 1.00 0.28 C ATOM 1713 CD1 LEU A 110 11.413 -2.720 -5.128 1.00 0.32 C ATOM 1714 CD2 LEU A 110 11.687 -3.728 -7.394 1.00 0.36 C ATOM 0 H LEU A 110 8.640 -5.209 -6.139 1.00 0.22 H new ATOM 0 HA LEU A 110 10.936 -6.294 -7.291 1.00 0.23 H new ATOM 0 HB2 LEU A 110 10.452 -5.129 -4.522 1.00 0.25 H new ATOM 0 HB3 LEU A 110 12.030 -5.361 -5.247 1.00 0.25 H new ATOM 0 HG LEU A 110 9.859 -3.538 -6.327 1.00 0.28 H new ATOM 0 HD11 LEU A 110 11.348 -1.733 -5.586 1.00 0.32 H new ATOM 0 HD12 LEU A 110 10.809 -2.739 -4.221 1.00 0.32 H new ATOM 0 HD13 LEU A 110 12.451 -2.936 -4.876 1.00 0.32 H new ATOM 0 HD21 LEU A 110 11.619 -2.733 -7.834 1.00 0.36 H new ATOM 0 HD22 LEU A 110 12.732 -3.965 -7.192 1.00 0.36 H new ATOM 0 HD23 LEU A 110 11.277 -4.461 -8.089 1.00 0.36 H new ATOM 1726 N CYS A 111 9.877 -7.832 -4.583 1.00 0.21 N ATOM 1727 CA CYS A 111 9.966 -9.062 -3.821 1.00 0.21 C ATOM 1728 C CYS A 111 9.776 -10.278 -4.721 1.00 0.21 C ATOM 1729 O CYS A 111 10.502 -11.266 -4.609 1.00 0.25 O ATOM 1730 CB CYS A 111 8.927 -9.059 -2.707 1.00 0.22 C ATOM 1731 SG CYS A 111 9.223 -7.817 -1.432 1.00 1.34 S ATOM 0 H CYS A 111 9.170 -7.179 -4.244 1.00 0.21 H new ATOM 0 HA CYS A 111 10.961 -9.123 -3.380 1.00 0.21 H new ATOM 0 HB2 CYS A 111 7.942 -8.890 -3.143 1.00 0.22 H new ATOM 0 HB3 CYS A 111 8.905 -10.045 -2.242 1.00 0.22 H new ATOM 0 HG CYS A 111 8.923 -6.640 -1.895 1.00 1.34 H new ATOM 1737 N VAL A 112 8.820 -10.183 -5.634 1.00 0.19 N ATOM 1738 CA VAL A 112 8.503 -11.281 -6.530 1.00 0.20 C ATOM 1739 C VAL A 112 9.665 -11.569 -7.471 1.00 0.22 C ATOM 1740 O VAL A 112 10.169 -12.695 -7.529 1.00 0.25 O ATOM 1741 CB VAL A 112 7.243 -10.966 -7.355 1.00 0.23 C ATOM 1742 CG1 VAL A 112 6.973 -12.067 -8.362 1.00 0.27 C ATOM 1743 CG2 VAL A 112 6.046 -10.778 -6.439 1.00 0.25 C ATOM 0 H VAL A 112 8.248 -9.350 -5.773 1.00 0.19 H new ATOM 0 HA VAL A 112 8.317 -12.163 -5.916 1.00 0.20 H new ATOM 0 HB VAL A 112 7.412 -10.038 -7.901 1.00 0.23 H new ATOM 0 HG11 VAL A 112 6.078 -11.825 -8.935 1.00 0.27 H new ATOM 0 HG12 VAL A 112 7.823 -12.158 -9.038 1.00 0.27 H new ATOM 0 HG13 VAL A 112 6.824 -13.011 -7.838 1.00 0.27 H new ATOM 0 HG21 VAL A 112 5.162 -10.556 -7.037 1.00 0.25 H new ATOM 0 HG22 VAL A 112 5.878 -11.691 -5.868 1.00 0.25 H new ATOM 0 HG23 VAL A 112 6.238 -9.952 -5.754 1.00 0.25 H new ATOM 1753 N GLU A 113 10.088 -10.548 -8.201 1.00 0.22 N ATOM 1754 CA GLU A 113 11.180 -10.693 -9.158 1.00 0.25 C ATOM 1755 C GLU A 113 12.477 -11.086 -8.455 1.00 0.25 C ATOM 1756 O GLU A 113 13.354 -11.708 -9.055 1.00 0.30 O ATOM 1757 CB GLU A 113 11.366 -9.407 -9.969 1.00 0.29 C ATOM 1758 CG GLU A 113 11.551 -8.159 -9.123 1.00 0.30 C ATOM 1759 CD GLU A 113 11.612 -6.897 -9.958 1.00 0.39 C ATOM 1760 OE1 GLU A 113 10.573 -6.506 -10.526 1.00 0.51 O ATOM 1761 OE2 GLU A 113 12.705 -6.306 -10.072 1.00 0.50 O ATOM 0 H GLU A 113 9.693 -9.609 -8.151 1.00 0.22 H new ATOM 0 HA GLU A 113 10.918 -11.495 -9.848 1.00 0.25 H new ATOM 0 HB2 GLU A 113 12.233 -9.523 -10.620 1.00 0.29 H new ATOM 0 HB3 GLU A 113 10.499 -9.269 -10.615 1.00 0.29 H new ATOM 0 HG2 GLU A 113 10.729 -8.081 -8.412 1.00 0.30 H new ATOM 0 HG3 GLU A 113 12.468 -8.251 -8.541 1.00 0.30 H new ATOM 1768 N SER A 114 12.581 -10.741 -7.177 1.00 0.23 N ATOM 1769 CA SER A 114 13.731 -11.119 -6.372 1.00 0.28 C ATOM 1770 C SER A 114 13.730 -12.624 -6.130 1.00 0.27 C ATOM 1771 O SER A 114 14.768 -13.279 -6.221 1.00 0.31 O ATOM 1772 CB SER A 114 13.722 -10.369 -5.035 1.00 0.33 C ATOM 1773 OG SER A 114 14.923 -10.580 -4.312 1.00 0.99 O ATOM 0 H SER A 114 11.878 -10.198 -6.676 1.00 0.23 H new ATOM 0 HA SER A 114 14.637 -10.849 -6.914 1.00 0.28 H new ATOM 0 HB2 SER A 114 13.588 -9.303 -5.216 1.00 0.33 H new ATOM 0 HB3 SER A 114 12.873 -10.700 -4.437 1.00 0.33 H new ATOM 0 HG SER A 114 14.910 -11.474 -3.910 1.00 0.99 H new ATOM 1779 N VAL A 115 12.555 -13.173 -5.843 1.00 0.28 N ATOM 1780 CA VAL A 115 12.422 -14.597 -5.584 1.00 0.33 C ATOM 1781 C VAL A 115 12.650 -15.395 -6.860 1.00 0.37 C ATOM 1782 O VAL A 115 13.293 -16.445 -6.840 1.00 0.42 O ATOM 1783 CB VAL A 115 11.039 -14.934 -5.000 1.00 0.40 C ATOM 1784 CG1 VAL A 115 10.885 -16.433 -4.800 1.00 0.45 C ATOM 1785 CG2 VAL A 115 10.831 -14.201 -3.687 1.00 0.41 C ATOM 0 H VAL A 115 11.681 -12.650 -5.784 1.00 0.28 H new ATOM 0 HA VAL A 115 13.180 -14.870 -4.850 1.00 0.33 H new ATOM 0 HB VAL A 115 10.279 -14.607 -5.710 1.00 0.40 H new ATOM 0 HG11 VAL A 115 9.899 -16.645 -4.386 1.00 0.45 H new ATOM 0 HG12 VAL A 115 10.994 -16.941 -5.758 1.00 0.45 H new ATOM 0 HG13 VAL A 115 11.652 -16.789 -4.112 1.00 0.45 H new ATOM 0 HG21 VAL A 115 9.849 -14.448 -3.284 1.00 0.41 H new ATOM 0 HG22 VAL A 115 11.601 -14.502 -2.976 1.00 0.41 H new ATOM 0 HG23 VAL A 115 10.894 -13.126 -3.856 1.00 0.41 H new ATOM 1795 N ASP A 116 12.139 -14.885 -7.972 1.00 0.38 N ATOM 1796 CA ASP A 116 12.327 -15.541 -9.263 1.00 0.46 C ATOM 1797 C ASP A 116 13.807 -15.545 -9.656 1.00 0.47 C ATOM 1798 O ASP A 116 14.264 -16.415 -10.397 1.00 0.56 O ATOM 1799 CB ASP A 116 11.488 -14.860 -10.350 1.00 0.49 C ATOM 1800 CG ASP A 116 11.511 -15.623 -11.660 1.00 1.08 C ATOM 1801 OD1 ASP A 116 10.784 -16.630 -11.783 1.00 1.23 O ATOM 1802 OD2 ASP A 116 12.259 -15.218 -12.575 1.00 1.89 O ATOM 0 H ASP A 116 11.594 -14.024 -8.009 1.00 0.38 H new ATOM 0 HA ASP A 116 11.991 -16.573 -9.168 1.00 0.46 H new ATOM 0 HB2 ASP A 116 10.458 -14.766 -10.005 1.00 0.49 H new ATOM 0 HB3 ASP A 116 11.862 -13.850 -10.514 1.00 0.49 H new ATOM 1807 N LYS A 117 14.560 -14.576 -9.142 1.00 0.43 N ATOM 1808 CA LYS A 117 16.004 -14.528 -9.360 1.00 0.49 C ATOM 1809 C LYS A 117 16.745 -15.358 -8.313 1.00 0.47 C ATOM 1810 O LYS A 117 17.971 -15.302 -8.232 1.00 0.52 O ATOM 1811 CB LYS A 117 16.521 -13.087 -9.317 1.00 0.53 C ATOM 1812 CG LYS A 117 16.197 -12.266 -10.554 1.00 0.61 C ATOM 1813 CD LYS A 117 16.804 -10.874 -10.453 1.00 1.20 C ATOM 1814 CE LYS A 117 16.687 -10.099 -11.758 1.00 1.32 C ATOM 1815 NZ LYS A 117 17.417 -10.765 -12.870 1.00 1.90 N ATOM 0 H LYS A 117 14.195 -13.813 -8.572 1.00 0.43 H new ATOM 0 HA LYS A 117 16.194 -14.946 -10.349 1.00 0.49 H new ATOM 0 HB2 LYS A 117 16.099 -12.589 -8.444 1.00 0.53 H new ATOM 0 HB3 LYS A 117 17.602 -13.106 -9.181 1.00 0.53 H new ATOM 0 HG2 LYS A 117 16.579 -12.771 -11.441 1.00 0.61 H new ATOM 0 HG3 LYS A 117 15.116 -12.189 -10.672 1.00 0.61 H new ATOM 0 HD2 LYS A 117 16.306 -10.319 -9.657 1.00 1.20 H new ATOM 0 HD3 LYS A 117 17.855 -10.957 -10.175 1.00 1.20 H new ATOM 0 HE2 LYS A 117 15.635 -9.996 -12.025 1.00 1.32 H new ATOM 0 HE3 LYS A 117 17.080 -9.092 -11.618 1.00 1.32 H new ATOM 0 HZ1 LYS A 117 17.560 -10.088 -13.646 1.00 1.90 H new ATOM 0 HZ2 LYS A 117 18.340 -11.099 -12.528 1.00 1.90 H new ATOM 0 HZ3 LYS A 117 16.862 -11.574 -13.214 1.00 1.90 H new ATOM 1829 N GLU A 118 15.990 -16.112 -7.513 1.00 0.45 N ATOM 1830 CA GLU A 118 16.550 -16.967 -6.460 1.00 0.49 C ATOM 1831 C GLU A 118 17.182 -16.141 -5.346 1.00 0.45 C ATOM 1832 O GLU A 118 17.967 -16.652 -4.546 1.00 0.55 O ATOM 1833 CB GLU A 118 17.581 -17.945 -7.027 1.00 0.59 C ATOM 1834 CG GLU A 118 17.008 -18.955 -8.001 1.00 1.07 C ATOM 1835 CD GLU A 118 18.071 -19.891 -8.527 1.00 1.72 C ATOM 1836 OE1 GLU A 118 18.444 -20.840 -7.806 1.00 1.89 O ATOM 1837 OE2 GLU A 118 18.551 -19.675 -9.658 1.00 2.54 O ATOM 0 H GLU A 118 14.973 -16.149 -7.575 1.00 0.45 H new ATOM 0 HA GLU A 118 15.721 -17.537 -6.041 1.00 0.49 H new ATOM 0 HB2 GLU A 118 18.366 -17.378 -7.528 1.00 0.59 H new ATOM 0 HB3 GLU A 118 18.051 -18.479 -6.201 1.00 0.59 H new ATOM 0 HG2 GLU A 118 16.226 -19.533 -7.508 1.00 1.07 H new ATOM 0 HG3 GLU A 118 16.540 -18.431 -8.834 1.00 1.07 H new ATOM 1844 N MET A 119 16.824 -14.870 -5.281 1.00 0.35 N ATOM 1845 CA MET A 119 17.363 -13.985 -4.266 1.00 0.33 C ATOM 1846 C MET A 119 16.383 -13.884 -3.108 1.00 0.31 C ATOM 1847 O MET A 119 15.742 -12.852 -2.895 1.00 0.27 O ATOM 1848 CB MET A 119 17.661 -12.600 -4.849 1.00 0.34 C ATOM 1849 CG MET A 119 18.587 -12.637 -6.055 1.00 0.41 C ATOM 1850 SD MET A 119 18.991 -10.998 -6.691 1.00 0.47 S ATOM 1851 CE MET A 119 17.358 -10.280 -6.851 1.00 0.44 C ATOM 0 H MET A 119 16.162 -14.429 -5.920 1.00 0.35 H new ATOM 0 HA MET A 119 18.304 -14.398 -3.901 1.00 0.33 H new ATOM 0 HB2 MET A 119 16.723 -12.125 -5.136 1.00 0.34 H new ATOM 0 HB3 MET A 119 18.110 -11.977 -4.075 1.00 0.34 H new ATOM 0 HG2 MET A 119 19.509 -13.151 -5.782 1.00 0.41 H new ATOM 0 HG3 MET A 119 18.119 -13.222 -6.847 1.00 0.41 H new ATOM 0 HE1 MET A 119 17.431 -9.322 -7.365 1.00 0.44 H new ATOM 0 HE2 MET A 119 16.720 -10.952 -7.425 1.00 0.44 H new ATOM 0 HE3 MET A 119 16.928 -10.129 -5.861 1.00 0.44 H new ATOM 1861 N GLN A 120 16.259 -14.981 -2.376 1.00 0.36 N ATOM 1862 CA GLN A 120 15.314 -15.075 -1.272 1.00 0.39 C ATOM 1863 C GLN A 120 15.833 -14.344 -0.038 1.00 0.41 C ATOM 1864 O GLN A 120 15.133 -14.236 0.968 1.00 0.47 O ATOM 1865 CB GLN A 120 15.027 -16.540 -0.936 1.00 0.49 C ATOM 1866 CG GLN A 120 14.367 -17.317 -2.072 1.00 0.53 C ATOM 1867 CD GLN A 120 14.224 -18.798 -1.765 1.00 0.65 C ATOM 1868 OE1 GLN A 120 14.100 -19.196 -0.607 1.00 0.71 O ATOM 1869 NE2 GLN A 120 14.223 -19.629 -2.799 1.00 0.70 N ATOM 0 H GLN A 120 16.807 -15.827 -2.529 1.00 0.36 H new ATOM 0 HA GLN A 120 14.386 -14.596 -1.585 1.00 0.39 H new ATOM 0 HB2 GLN A 120 15.963 -17.031 -0.668 1.00 0.49 H new ATOM 0 HB3 GLN A 120 14.383 -16.582 -0.058 1.00 0.49 H new ATOM 0 HG2 GLN A 120 13.382 -16.895 -2.271 1.00 0.53 H new ATOM 0 HG3 GLN A 120 14.956 -17.194 -2.981 1.00 0.53 H new ATOM 0 HE21 GLN A 120 14.328 -19.265 -3.746 1.00 0.70 H new ATOM 0 HE22 GLN A 120 14.117 -20.632 -2.647 1.00 0.70 H new ATOM 1878 N VAL A 121 17.068 -13.866 -0.103 1.00 0.39 N ATOM 1879 CA VAL A 121 17.605 -13.039 0.964 1.00 0.44 C ATOM 1880 C VAL A 121 17.300 -11.565 0.707 1.00 0.38 C ATOM 1881 O VAL A 121 17.104 -10.791 1.641 1.00 0.47 O ATOM 1882 CB VAL A 121 19.126 -13.225 1.137 1.00 0.52 C ATOM 1883 CG1 VAL A 121 19.447 -14.657 1.529 1.00 0.98 C ATOM 1884 CG2 VAL A 121 19.873 -12.838 -0.127 1.00 0.92 C ATOM 0 H VAL A 121 17.711 -14.036 -0.877 1.00 0.39 H new ATOM 0 HA VAL A 121 17.119 -13.360 1.885 1.00 0.44 H new ATOM 0 HB VAL A 121 19.456 -12.563 1.938 1.00 0.52 H new ATOM 0 HG11 VAL A 121 20.525 -14.769 1.647 1.00 0.98 H new ATOM 0 HG12 VAL A 121 18.952 -14.896 2.470 1.00 0.98 H new ATOM 0 HG13 VAL A 121 19.094 -15.335 0.752 1.00 0.98 H new ATOM 0 HG21 VAL A 121 20.943 -12.980 0.025 1.00 0.92 H new ATOM 0 HG22 VAL A 121 19.538 -13.464 -0.954 1.00 0.92 H new ATOM 0 HG23 VAL A 121 19.675 -11.792 -0.361 1.00 0.92 H new ATOM 1894 N LEU A 122 17.233 -11.189 -0.568 1.00 0.30 N ATOM 1895 CA LEU A 122 16.993 -9.802 -0.941 1.00 0.27 C ATOM 1896 C LEU A 122 15.556 -9.400 -0.673 1.00 0.23 C ATOM 1897 O LEU A 122 15.289 -8.261 -0.313 1.00 0.23 O ATOM 1898 CB LEU A 122 17.337 -9.546 -2.407 1.00 0.28 C ATOM 1899 CG LEU A 122 18.772 -9.097 -2.666 1.00 0.37 C ATOM 1900 CD1 LEU A 122 19.756 -10.190 -2.298 1.00 0.39 C ATOM 1901 CD2 LEU A 122 18.939 -8.691 -4.116 1.00 0.41 C ATOM 0 H LEU A 122 17.342 -11.826 -1.357 1.00 0.30 H new ATOM 0 HA LEU A 122 17.649 -9.191 -0.321 1.00 0.27 H new ATOM 0 HB2 LEU A 122 17.151 -10.459 -2.973 1.00 0.28 H new ATOM 0 HB3 LEU A 122 16.659 -8.786 -2.796 1.00 0.28 H new ATOM 0 HG LEU A 122 18.982 -8.233 -2.036 1.00 0.37 H new ATOM 0 HD11 LEU A 122 20.772 -9.845 -2.492 1.00 0.39 H new ATOM 0 HD12 LEU A 122 19.651 -10.433 -1.241 1.00 0.39 H new ATOM 0 HD13 LEU A 122 19.554 -11.078 -2.897 1.00 0.39 H new ATOM 0 HD21 LEU A 122 19.967 -8.373 -4.289 1.00 0.41 H new ATOM 0 HD22 LEU A 122 18.709 -9.540 -4.760 1.00 0.41 H new ATOM 0 HD23 LEU A 122 18.261 -7.868 -4.344 1.00 0.41 H new ATOM 1913 N VAL A 123 14.635 -10.343 -0.829 1.00 0.23 N ATOM 1914 CA VAL A 123 13.223 -10.069 -0.598 1.00 0.25 C ATOM 1915 C VAL A 123 12.989 -9.586 0.836 1.00 0.27 C ATOM 1916 O VAL A 123 12.229 -8.645 1.072 1.00 0.31 O ATOM 1917 CB VAL A 123 12.344 -11.304 -0.901 1.00 0.28 C ATOM 1918 CG1 VAL A 123 12.787 -12.514 -0.096 1.00 0.31 C ATOM 1919 CG2 VAL A 123 10.885 -10.992 -0.633 1.00 0.31 C ATOM 0 H VAL A 123 14.840 -11.301 -1.114 1.00 0.23 H new ATOM 0 HA VAL A 123 12.930 -9.276 -1.286 1.00 0.25 H new ATOM 0 HB VAL A 123 12.464 -11.548 -1.957 1.00 0.28 H new ATOM 0 HG11 VAL A 123 12.147 -13.364 -0.334 1.00 0.31 H new ATOM 0 HG12 VAL A 123 13.820 -12.757 -0.344 1.00 0.31 H new ATOM 0 HG13 VAL A 123 12.712 -12.290 0.968 1.00 0.31 H new ATOM 0 HG21 VAL A 123 10.279 -11.871 -0.851 1.00 0.31 H new ATOM 0 HG22 VAL A 123 10.759 -10.714 0.413 1.00 0.31 H new ATOM 0 HG23 VAL A 123 10.567 -10.166 -1.269 1.00 0.31 H new ATOM 1929 N SER A 124 13.681 -10.206 1.780 1.00 0.29 N ATOM 1930 CA SER A 124 13.558 -9.843 3.183 1.00 0.35 C ATOM 1931 C SER A 124 14.237 -8.499 3.455 1.00 0.34 C ATOM 1932 O SER A 124 13.964 -7.840 4.458 1.00 0.44 O ATOM 1933 CB SER A 124 14.172 -10.938 4.061 1.00 0.43 C ATOM 1934 OG SER A 124 13.595 -12.201 3.775 1.00 1.32 O ATOM 0 H SER A 124 14.336 -10.966 1.598 1.00 0.29 H new ATOM 0 HA SER A 124 12.500 -9.745 3.426 1.00 0.35 H new ATOM 0 HB2 SER A 124 15.249 -10.980 3.896 1.00 0.43 H new ATOM 0 HB3 SER A 124 14.020 -10.694 5.112 1.00 0.43 H new ATOM 0 HG SER A 124 14.004 -12.884 4.346 1.00 1.32 H new ATOM 1940 N ARG A 125 15.124 -8.100 2.551 1.00 0.28 N ATOM 1941 CA ARG A 125 15.820 -6.829 2.673 1.00 0.31 C ATOM 1942 C ARG A 125 15.038 -5.724 1.975 1.00 0.24 C ATOM 1943 O ARG A 125 15.113 -4.565 2.369 1.00 0.24 O ATOM 1944 CB ARG A 125 17.234 -6.939 2.095 1.00 0.41 C ATOM 1945 CG ARG A 125 18.080 -8.006 2.784 1.00 0.91 C ATOM 1946 CD ARG A 125 19.413 -8.239 2.086 1.00 0.74 C ATOM 1947 NE ARG A 125 20.115 -9.388 2.654 1.00 1.01 N ATOM 1948 CZ ARG A 125 21.150 -9.992 2.075 1.00 1.24 C ATOM 1949 NH1 ARG A 125 21.622 -9.542 0.919 1.00 1.28 N ATOM 1950 NH2 ARG A 125 21.714 -11.046 2.649 1.00 1.84 N ATOM 0 H ARG A 125 15.377 -8.641 1.724 1.00 0.28 H new ATOM 0 HA ARG A 125 15.899 -6.576 3.730 1.00 0.31 H new ATOM 0 HB2 ARG A 125 17.169 -7.166 1.031 1.00 0.41 H new ATOM 0 HB3 ARG A 125 17.733 -5.974 2.185 1.00 0.41 H new ATOM 0 HG2 ARG A 125 18.262 -7.709 3.817 1.00 0.91 H new ATOM 0 HG3 ARG A 125 17.522 -8.942 2.815 1.00 0.91 H new ATOM 0 HD2 ARG A 125 19.245 -8.402 1.021 1.00 0.74 H new ATOM 0 HD3 ARG A 125 20.035 -7.348 2.178 1.00 0.74 H new ATOM 0 HE ARG A 125 19.791 -9.750 3.551 1.00 1.01 H new ATOM 0 HH11 ARG A 125 21.191 -8.732 0.473 1.00 1.28 H new ATOM 0 HH12 ARG A 125 22.415 -10.006 0.477 1.00 1.28 H new ATOM 0 HH21 ARG A 125 21.355 -11.396 3.537 1.00 1.84 H new ATOM 0 HH22 ARG A 125 22.507 -11.506 2.202 1.00 1.84 H new ATOM 1964 N ILE A 126 14.280 -6.091 0.946 1.00 0.21 N ATOM 1965 CA ILE A 126 13.408 -5.151 0.250 1.00 0.19 C ATOM 1966 C ILE A 126 12.439 -4.509 1.232 1.00 0.19 C ATOM 1967 O ILE A 126 12.320 -3.283 1.293 1.00 0.19 O ATOM 1968 CB ILE A 126 12.618 -5.857 -0.871 1.00 0.19 C ATOM 1969 CG1 ILE A 126 13.569 -6.285 -1.987 1.00 0.20 C ATOM 1970 CG2 ILE A 126 11.525 -4.954 -1.418 1.00 0.20 C ATOM 1971 CD1 ILE A 126 12.904 -7.087 -3.078 1.00 0.23 C ATOM 0 H ILE A 126 14.253 -7.040 0.574 1.00 0.21 H new ATOM 0 HA ILE A 126 14.033 -4.379 -0.199 1.00 0.19 H new ATOM 0 HB ILE A 126 12.141 -6.743 -0.453 1.00 0.19 H new ATOM 0 HG12 ILE A 126 14.022 -5.396 -2.427 1.00 0.20 H new ATOM 0 HG13 ILE A 126 14.378 -6.875 -1.556 1.00 0.20 H new ATOM 0 HG21 ILE A 126 10.983 -5.476 -2.207 1.00 0.20 H new ATOM 0 HG22 ILE A 126 10.835 -4.691 -0.616 1.00 0.20 H new ATOM 0 HG23 ILE A 126 11.972 -4.046 -1.824 1.00 0.20 H new ATOM 0 HD11 ILE A 126 13.642 -7.355 -3.834 1.00 0.23 H new ATOM 0 HD12 ILE A 126 12.475 -7.994 -2.653 1.00 0.23 H new ATOM 0 HD13 ILE A 126 12.114 -6.492 -3.536 1.00 0.23 H new ATOM 1983 N ALA A 127 11.761 -5.351 2.005 1.00 0.22 N ATOM 1984 CA ALA A 127 10.863 -4.885 3.049 1.00 0.25 C ATOM 1985 C ALA A 127 11.583 -3.947 4.012 1.00 0.24 C ATOM 1986 O ALA A 127 11.009 -2.971 4.495 1.00 0.26 O ATOM 1987 CB ALA A 127 10.283 -6.069 3.802 1.00 0.30 C ATOM 0 H ALA A 127 11.819 -6.366 1.925 1.00 0.22 H new ATOM 0 HA ALA A 127 10.052 -4.329 2.580 1.00 0.25 H new ATOM 0 HB1 ALA A 127 9.612 -5.710 4.582 1.00 0.30 H new ATOM 0 HB2 ALA A 127 9.729 -6.704 3.110 1.00 0.30 H new ATOM 0 HB3 ALA A 127 11.091 -6.644 4.255 1.00 0.30 H new ATOM 1993 N ALA A 128 12.847 -4.244 4.270 1.00 0.22 N ATOM 1994 CA ALA A 128 13.659 -3.428 5.155 1.00 0.23 C ATOM 1995 C ALA A 128 13.936 -2.063 4.536 1.00 0.19 C ATOM 1996 O ALA A 128 13.756 -1.036 5.183 1.00 0.19 O ATOM 1997 CB ALA A 128 14.960 -4.140 5.481 1.00 0.27 C ATOM 0 H ALA A 128 13.334 -5.049 3.876 1.00 0.22 H new ATOM 0 HA ALA A 128 13.105 -3.272 6.081 1.00 0.23 H new ATOM 0 HB1 ALA A 128 15.559 -3.517 6.145 1.00 0.27 H new ATOM 0 HB2 ALA A 128 14.743 -5.089 5.971 1.00 0.27 H new ATOM 0 HB3 ALA A 128 15.514 -4.326 4.561 1.00 0.27 H new ATOM 2003 N TRP A 129 14.353 -2.060 3.272 1.00 0.17 N ATOM 2004 CA TRP A 129 14.662 -0.815 2.574 1.00 0.17 C ATOM 2005 C TRP A 129 13.421 0.064 2.470 1.00 0.15 C ATOM 2006 O TRP A 129 13.504 1.289 2.586 1.00 0.18 O ATOM 2007 CB TRP A 129 15.222 -1.086 1.171 1.00 0.20 C ATOM 2008 CG TRP A 129 16.435 -1.964 1.165 1.00 0.24 C ATOM 2009 CD1 TRP A 129 17.444 -1.981 2.085 1.00 0.27 C ATOM 2010 CD2 TRP A 129 16.775 -2.946 0.180 1.00 0.31 C ATOM 2011 NE1 TRP A 129 18.382 -2.922 1.738 1.00 0.33 N ATOM 2012 CE2 TRP A 129 17.996 -3.526 0.572 1.00 0.36 C ATOM 2013 CE3 TRP A 129 16.163 -3.394 -0.993 1.00 0.37 C ATOM 2014 CZ2 TRP A 129 18.615 -4.531 -0.167 1.00 0.45 C ATOM 2015 CZ3 TRP A 129 16.778 -4.390 -1.725 1.00 0.47 C ATOM 2016 CH2 TRP A 129 17.994 -4.951 -1.310 1.00 0.50 C ATOM 0 H TRP A 129 14.484 -2.902 2.712 1.00 0.17 H new ATOM 0 HA TRP A 129 15.423 -0.294 3.155 1.00 0.17 H new ATOM 0 HB2 TRP A 129 14.445 -1.550 0.563 1.00 0.20 H new ATOM 0 HB3 TRP A 129 15.470 -0.135 0.699 1.00 0.20 H new ATOM 0 HD1 TRP A 129 17.497 -1.347 2.958 1.00 0.27 H new ATOM 0 HE1 TRP A 129 19.229 -3.136 2.264 1.00 0.33 H new ATOM 0 HE3 TRP A 129 15.226 -2.969 -1.321 1.00 0.37 H new ATOM 0 HZ2 TRP A 129 19.552 -4.963 0.152 1.00 0.45 H new ATOM 0 HZ3 TRP A 129 16.314 -4.743 -2.634 1.00 0.47 H new ATOM 0 HH2 TRP A 129 18.449 -5.730 -1.905 1.00 0.50 H new ATOM 2027 N MET A 130 12.270 -0.568 2.266 1.00 0.16 N ATOM 2028 CA MET A 130 11.011 0.162 2.206 1.00 0.21 C ATOM 2029 C MET A 130 10.685 0.765 3.562 1.00 0.19 C ATOM 2030 O MET A 130 10.314 1.932 3.657 1.00 0.21 O ATOM 2031 CB MET A 130 9.861 -0.742 1.765 1.00 0.29 C ATOM 2032 CG MET A 130 9.920 -1.175 0.311 1.00 0.33 C ATOM 2033 SD MET A 130 8.478 -2.142 -0.163 1.00 0.71 S ATOM 2034 CE MET A 130 7.164 -1.001 0.263 1.00 0.29 C ATOM 0 H MET A 130 12.184 -1.577 2.140 1.00 0.16 H new ATOM 0 HA MET A 130 11.129 0.957 1.469 1.00 0.21 H new ATOM 0 HB2 MET A 130 9.853 -1.631 2.395 1.00 0.29 H new ATOM 0 HB3 MET A 130 8.919 -0.221 1.937 1.00 0.29 H new ATOM 0 HG2 MET A 130 9.992 -0.294 -0.327 1.00 0.33 H new ATOM 0 HG3 MET A 130 10.822 -1.764 0.144 1.00 0.33 H new ATOM 0 HE1 MET A 130 6.200 -1.452 0.029 1.00 0.29 H new ATOM 0 HE2 MET A 130 7.210 -0.775 1.328 1.00 0.29 H new ATOM 0 HE3 MET A 130 7.282 -0.080 -0.309 1.00 0.29 H new ATOM 2044 N ALA A 131 10.840 -0.037 4.608 1.00 0.18 N ATOM 2045 CA ALA A 131 10.574 0.409 5.966 1.00 0.20 C ATOM 2046 C ALA A 131 11.478 1.577 6.328 1.00 0.21 C ATOM 2047 O ALA A 131 11.056 2.520 6.996 1.00 0.23 O ATOM 2048 CB ALA A 131 10.766 -0.738 6.941 1.00 0.23 C ATOM 0 H ALA A 131 11.151 -1.006 4.539 1.00 0.18 H new ATOM 0 HA ALA A 131 9.539 0.746 6.027 1.00 0.20 H new ATOM 0 HB1 ALA A 131 10.564 -0.392 7.955 1.00 0.23 H new ATOM 0 HB2 ALA A 131 10.080 -1.547 6.691 1.00 0.23 H new ATOM 0 HB3 ALA A 131 11.792 -1.100 6.879 1.00 0.23 H new ATOM 2054 N THR A 132 12.719 1.507 5.870 1.00 0.22 N ATOM 2055 CA THR A 132 13.675 2.580 6.071 1.00 0.25 C ATOM 2056 C THR A 132 13.165 3.879 5.443 1.00 0.24 C ATOM 2057 O THR A 132 12.971 4.875 6.144 1.00 0.25 O ATOM 2058 CB THR A 132 15.044 2.215 5.463 1.00 0.31 C ATOM 2059 OG1 THR A 132 15.502 0.969 6.005 1.00 0.33 O ATOM 2060 CG2 THR A 132 16.069 3.301 5.747 1.00 0.37 C ATOM 0 H THR A 132 13.088 0.709 5.352 1.00 0.22 H new ATOM 0 HA THR A 132 13.794 2.725 7.145 1.00 0.25 H new ATOM 0 HB THR A 132 14.925 2.122 4.383 1.00 0.31 H new ATOM 0 HG1 THR A 132 14.935 0.241 5.675 1.00 0.33 H new ATOM 0 HG21 THR A 132 17.027 3.021 5.308 1.00 0.37 H new ATOM 0 HG22 THR A 132 15.732 4.242 5.312 1.00 0.37 H new ATOM 0 HG23 THR A 132 16.184 3.420 6.824 1.00 0.37 H new ATOM 2068 N TYR A 133 12.933 3.852 4.132 1.00 0.23 N ATOM 2069 CA TYR A 133 12.478 5.037 3.404 1.00 0.24 C ATOM 2070 C TYR A 133 11.159 5.551 3.974 1.00 0.21 C ATOM 2071 O TYR A 133 10.978 6.757 4.161 1.00 0.23 O ATOM 2072 CB TYR A 133 12.320 4.716 1.913 1.00 0.27 C ATOM 2073 CG TYR A 133 11.798 5.872 1.087 1.00 0.33 C ATOM 2074 CD1 TYR A 133 12.648 6.881 0.650 1.00 0.42 C ATOM 2075 CD2 TYR A 133 10.455 5.949 0.737 1.00 0.36 C ATOM 2076 CE1 TYR A 133 12.171 7.934 -0.109 1.00 0.50 C ATOM 2077 CE2 TYR A 133 9.973 6.995 -0.023 1.00 0.45 C ATOM 2078 CZ TYR A 133 10.834 7.985 -0.444 1.00 0.51 C ATOM 2079 OH TYR A 133 10.360 9.024 -1.209 1.00 0.61 O ATOM 0 H TYR A 133 13.052 3.022 3.551 1.00 0.23 H new ATOM 0 HA TYR A 133 13.229 5.818 3.520 1.00 0.24 H new ATOM 0 HB2 TYR A 133 13.286 4.405 1.514 1.00 0.27 H new ATOM 0 HB3 TYR A 133 11.642 3.869 1.804 1.00 0.27 H new ATOM 0 HD1 TYR A 133 13.696 6.842 0.907 1.00 0.42 H new ATOM 0 HD2 TYR A 133 9.776 5.176 1.066 1.00 0.36 H new ATOM 0 HE1 TYR A 133 12.843 8.713 -0.438 1.00 0.50 H new ATOM 0 HE2 TYR A 133 8.926 7.038 -0.286 1.00 0.45 H new ATOM 0 HH TYR A 133 10.629 8.892 -2.142 1.00 0.61 H new ATOM 2089 N LEU A 134 10.251 4.628 4.262 1.00 0.20 N ATOM 2090 CA LEU A 134 8.947 4.968 4.809 1.00 0.20 C ATOM 2091 C LEU A 134 9.080 5.667 6.159 1.00 0.21 C ATOM 2092 O LEU A 134 8.439 6.680 6.400 1.00 0.24 O ATOM 2093 CB LEU A 134 8.094 3.699 4.928 1.00 0.20 C ATOM 2094 CG LEU A 134 6.826 3.806 5.779 1.00 0.22 C ATOM 2095 CD1 LEU A 134 5.921 4.915 5.274 1.00 0.26 C ATOM 2096 CD2 LEU A 134 6.086 2.480 5.776 1.00 0.26 C ATOM 0 H LEU A 134 10.398 3.628 4.124 1.00 0.20 H new ATOM 0 HA LEU A 134 8.453 5.665 4.132 1.00 0.20 H new ATOM 0 HB2 LEU A 134 7.806 3.386 3.924 1.00 0.20 H new ATOM 0 HB3 LEU A 134 8.717 2.907 5.342 1.00 0.20 H new ATOM 0 HG LEU A 134 7.119 4.050 6.800 1.00 0.22 H new ATOM 0 HD11 LEU A 134 5.028 4.968 5.897 1.00 0.26 H new ATOM 0 HD12 LEU A 134 6.452 5.866 5.318 1.00 0.26 H new ATOM 0 HD13 LEU A 134 5.632 4.708 4.243 1.00 0.26 H new ATOM 0 HD21 LEU A 134 5.185 2.565 6.384 1.00 0.26 H new ATOM 0 HD22 LEU A 134 5.811 2.219 4.754 1.00 0.26 H new ATOM 0 HD23 LEU A 134 6.730 1.703 6.188 1.00 0.26 H new ATOM 2108 N ASN A 135 9.934 5.148 7.022 1.00 0.24 N ATOM 2109 CA ASN A 135 10.075 5.699 8.364 1.00 0.29 C ATOM 2110 C ASN A 135 10.887 6.995 8.371 1.00 0.30 C ATOM 2111 O ASN A 135 10.577 7.923 9.117 1.00 0.33 O ATOM 2112 CB ASN A 135 10.715 4.664 9.295 1.00 0.37 C ATOM 2113 CG ASN A 135 10.946 5.199 10.697 1.00 0.92 C ATOM 2114 OD1 ASN A 135 10.051 5.168 11.539 1.00 1.17 O ATOM 2115 ND2 ASN A 135 12.160 5.658 10.969 1.00 1.46 N ATOM 0 H ASN A 135 10.538 4.351 6.823 1.00 0.24 H new ATOM 0 HA ASN A 135 9.076 5.941 8.726 1.00 0.29 H new ATOM 0 HB2 ASN A 135 10.074 3.784 9.348 1.00 0.37 H new ATOM 0 HB3 ASN A 135 11.667 4.341 8.873 1.00 0.37 H new ATOM 0 HD21 ASN A 135 12.378 6.002 11.904 1.00 1.46 H new ATOM 0 HD22 ASN A 135 12.876 5.667 10.243 1.00 1.46 H new ATOM 2122 N ASP A 136 11.918 7.070 7.538 1.00 0.32 N ATOM 2123 CA ASP A 136 12.812 8.230 7.553 1.00 0.37 C ATOM 2124 C ASP A 136 12.313 9.367 6.670 1.00 0.34 C ATOM 2125 O ASP A 136 12.169 10.493 7.135 1.00 0.36 O ATOM 2126 CB ASP A 136 14.236 7.847 7.136 1.00 0.46 C ATOM 2127 CG ASP A 136 15.103 7.455 8.314 1.00 1.19 C ATOM 2128 OD1 ASP A 136 15.369 8.316 9.180 1.00 1.27 O ATOM 2129 OD2 ASP A 136 15.519 6.280 8.384 1.00 2.07 O ATOM 0 H ASP A 136 12.157 6.354 6.851 1.00 0.32 H new ATOM 0 HA ASP A 136 12.822 8.584 8.584 1.00 0.37 H new ATOM 0 HB2 ASP A 136 14.193 7.018 6.430 1.00 0.46 H new ATOM 0 HB3 ASP A 136 14.696 8.686 6.615 1.00 0.46 H new ATOM 2134 N HIS A 137 12.063 9.086 5.398 1.00 0.33 N ATOM 2135 CA HIS A 137 11.715 10.147 4.448 1.00 0.35 C ATOM 2136 C HIS A 137 10.209 10.355 4.345 1.00 0.29 C ATOM 2137 O HIS A 137 9.735 11.489 4.274 1.00 0.32 O ATOM 2138 CB HIS A 137 12.285 9.861 3.050 1.00 0.45 C ATOM 2139 CG HIS A 137 13.771 10.049 2.942 1.00 0.63 C ATOM 2140 ND1 HIS A 137 14.385 10.559 1.819 1.00 1.07 N ATOM 2141 CD2 HIS A 137 14.769 9.778 3.818 1.00 1.53 C ATOM 2142 CE1 HIS A 137 15.690 10.591 2.009 1.00 0.95 C ATOM 2143 NE2 HIS A 137 15.951 10.123 3.214 1.00 1.34 N ATOM 0 H HIS A 137 12.093 8.148 4.999 1.00 0.33 H new ATOM 0 HA HIS A 137 12.164 11.061 4.837 1.00 0.35 H new ATOM 0 HB2 HIS A 137 12.038 8.836 2.772 1.00 0.45 H new ATOM 0 HB3 HIS A 137 11.794 10.514 2.329 1.00 0.45 H new ATOM 0 HD2 HIS A 137 14.655 9.366 4.810 1.00 1.53 H new ATOM 0 HE1 HIS A 137 16.422 10.942 1.297 1.00 0.95 H new ATOM 0 HE2 HIS A 137 16.879 10.033 3.628 1.00 1.34 H new ATOM 2152 N LEU A 138 9.463 9.266 4.347 1.00 0.26 N ATOM 2153 CA LEU A 138 8.043 9.318 4.033 1.00 0.25 C ATOM 2154 C LEU A 138 7.205 9.737 5.244 1.00 0.24 C ATOM 2155 O LEU A 138 6.325 10.591 5.125 1.00 0.25 O ATOM 2156 CB LEU A 138 7.599 7.954 3.509 1.00 0.23 C ATOM 2157 CG LEU A 138 6.261 7.931 2.779 1.00 0.23 C ATOM 2158 CD1 LEU A 138 6.281 8.902 1.609 1.00 0.26 C ATOM 2159 CD2 LEU A 138 5.958 6.523 2.299 1.00 0.22 C ATOM 0 H LEU A 138 9.815 8.333 4.562 1.00 0.26 H new ATOM 0 HA LEU A 138 7.884 10.076 3.266 1.00 0.25 H new ATOM 0 HB2 LEU A 138 8.367 7.577 2.834 1.00 0.23 H new ATOM 0 HB3 LEU A 138 7.546 7.262 4.349 1.00 0.23 H new ATOM 0 HG LEU A 138 5.476 8.242 3.468 1.00 0.23 H new ATOM 0 HD11 LEU A 138 5.319 8.875 1.097 1.00 0.26 H new ATOM 0 HD12 LEU A 138 6.468 9.911 1.977 1.00 0.26 H new ATOM 0 HD13 LEU A 138 7.070 8.617 0.913 1.00 0.26 H new ATOM 0 HD21 LEU A 138 5.000 6.514 1.778 1.00 0.22 H new ATOM 0 HD22 LEU A 138 6.744 6.193 1.619 1.00 0.22 H new ATOM 0 HD23 LEU A 138 5.912 5.849 3.154 1.00 0.22 H new ATOM 2171 N GLU A 139 7.487 9.134 6.398 1.00 0.26 N ATOM 2172 CA GLU A 139 6.781 9.436 7.649 1.00 0.29 C ATOM 2173 C GLU A 139 6.666 10.949 7.911 1.00 0.30 C ATOM 2174 O GLU A 139 5.573 11.427 8.212 1.00 0.30 O ATOM 2175 CB GLU A 139 7.470 8.734 8.829 1.00 0.36 C ATOM 2176 CG GLU A 139 6.869 9.050 10.196 1.00 0.52 C ATOM 2177 CD GLU A 139 5.475 8.482 10.391 1.00 1.00 C ATOM 2178 OE1 GLU A 139 5.358 7.277 10.705 1.00 1.46 O ATOM 2179 OE2 GLU A 139 4.493 9.245 10.268 1.00 1.74 O ATOM 0 H GLU A 139 8.211 8.422 6.495 1.00 0.26 H new ATOM 0 HA GLU A 139 5.765 9.056 7.547 1.00 0.29 H new ATOM 0 HB2 GLU A 139 7.428 7.657 8.669 1.00 0.36 H new ATOM 0 HB3 GLU A 139 8.523 9.014 8.836 1.00 0.36 H new ATOM 0 HG2 GLU A 139 7.525 8.656 10.972 1.00 0.52 H new ATOM 0 HG3 GLU A 139 6.834 10.131 10.327 1.00 0.52 H new ATOM 2186 N PRO A 140 7.771 11.731 7.809 1.00 0.33 N ATOM 2187 CA PRO A 140 7.714 13.187 7.996 1.00 0.36 C ATOM 2188 C PRO A 140 6.621 13.855 7.165 1.00 0.31 C ATOM 2189 O PRO A 140 5.937 14.750 7.653 1.00 0.36 O ATOM 2190 CB PRO A 140 9.093 13.662 7.542 1.00 0.42 C ATOM 2191 CG PRO A 140 9.984 12.508 7.813 1.00 0.42 C ATOM 2192 CD PRO A 140 9.155 11.278 7.550 1.00 0.35 C ATOM 0 HA PRO A 140 7.474 13.445 9.027 1.00 0.36 H new ATOM 0 HB2 PRO A 140 9.095 13.926 6.485 1.00 0.42 H new ATOM 0 HB3 PRO A 140 9.410 14.548 8.093 1.00 0.42 H new ATOM 0 HG2 PRO A 140 10.862 12.533 7.168 1.00 0.42 H new ATOM 0 HG3 PRO A 140 10.343 12.525 8.842 1.00 0.42 H new ATOM 0 HD2 PRO A 140 9.276 10.924 6.526 1.00 0.35 H new ATOM 0 HD3 PRO A 140 9.438 10.456 8.207 1.00 0.35 H new ATOM 2200 N TRP A 141 6.439 13.412 5.923 1.00 0.28 N ATOM 2201 CA TRP A 141 5.411 13.987 5.064 1.00 0.25 C ATOM 2202 C TRP A 141 4.035 13.467 5.471 1.00 0.22 C ATOM 2203 O TRP A 141 3.054 14.217 5.499 1.00 0.22 O ATOM 2204 CB TRP A 141 5.680 13.669 3.585 1.00 0.29 C ATOM 2205 CG TRP A 141 4.717 14.356 2.665 1.00 0.29 C ATOM 2206 CD1 TRP A 141 4.838 15.609 2.139 1.00 0.32 C ATOM 2207 CD2 TRP A 141 3.478 13.831 2.176 1.00 0.30 C ATOM 2208 NE1 TRP A 141 3.745 15.897 1.359 1.00 0.35 N ATOM 2209 CE2 TRP A 141 2.897 14.821 1.365 1.00 0.33 C ATOM 2210 CE3 TRP A 141 2.803 12.619 2.346 1.00 0.31 C ATOM 2211 CZ2 TRP A 141 1.674 14.638 0.729 1.00 0.36 C ATOM 2212 CZ3 TRP A 141 1.591 12.438 1.713 1.00 0.35 C ATOM 2213 CH2 TRP A 141 1.035 13.442 0.913 1.00 0.36 C ATOM 0 H TRP A 141 6.984 12.665 5.494 1.00 0.28 H new ATOM 0 HA TRP A 141 5.436 15.070 5.187 1.00 0.25 H new ATOM 0 HB2 TRP A 141 6.697 13.969 3.331 1.00 0.29 H new ATOM 0 HB3 TRP A 141 5.618 12.592 3.431 1.00 0.29 H new ATOM 0 HD1 TRP A 141 5.670 16.276 2.311 1.00 0.32 H new ATOM 0 HE1 TRP A 141 3.590 16.771 0.856 1.00 0.35 H new ATOM 0 HE3 TRP A 141 3.223 11.838 2.962 1.00 0.31 H new ATOM 0 HZ2 TRP A 141 1.244 15.413 0.112 1.00 0.36 H new ATOM 0 HZ3 TRP A 141 1.062 11.505 1.837 1.00 0.35 H new ATOM 0 HH2 TRP A 141 0.084 13.270 0.432 1.00 0.36 H new ATOM 2224 N ILE A 142 3.977 12.184 5.801 1.00 0.20 N ATOM 2225 CA ILE A 142 2.733 11.541 6.205 1.00 0.19 C ATOM 2226 C ILE A 142 2.176 12.196 7.469 1.00 0.20 C ATOM 2227 O ILE A 142 1.070 12.740 7.461 1.00 0.20 O ATOM 2228 CB ILE A 142 2.955 10.029 6.448 1.00 0.21 C ATOM 2229 CG1 ILE A 142 3.389 9.338 5.156 1.00 0.21 C ATOM 2230 CG2 ILE A 142 1.694 9.374 6.987 1.00 0.25 C ATOM 2231 CD1 ILE A 142 3.769 7.890 5.350 1.00 0.23 C ATOM 0 H ILE A 142 4.786 11.562 5.797 1.00 0.20 H new ATOM 0 HA ILE A 142 2.011 11.664 5.398 1.00 0.19 H new ATOM 0 HB ILE A 142 3.745 9.921 7.191 1.00 0.21 H new ATOM 0 HG12 ILE A 142 2.578 9.399 4.430 1.00 0.21 H new ATOM 0 HG13 ILE A 142 4.238 9.875 4.733 1.00 0.21 H new ATOM 0 HG21 ILE A 142 1.877 8.312 7.149 1.00 0.25 H new ATOM 0 HG22 ILE A 142 1.416 9.843 7.931 1.00 0.25 H new ATOM 0 HG23 ILE A 142 0.884 9.497 6.268 1.00 0.25 H new ATOM 0 HD11 ILE A 142 4.067 7.461 4.393 1.00 0.23 H new ATOM 0 HD12 ILE A 142 4.600 7.823 6.052 1.00 0.23 H new ATOM 0 HD13 ILE A 142 2.915 7.339 5.745 1.00 0.23 H new ATOM 2243 N GLN A 143 2.962 12.157 8.543 1.00 0.25 N ATOM 2244 CA GLN A 143 2.558 12.721 9.827 1.00 0.30 C ATOM 2245 C GLN A 143 2.267 14.216 9.709 1.00 0.29 C ATOM 2246 O GLN A 143 1.378 14.736 10.383 1.00 0.31 O ATOM 2247 CB GLN A 143 3.650 12.479 10.875 1.00 0.40 C ATOM 2248 CG GLN A 143 3.341 13.061 12.253 1.00 0.51 C ATOM 2249 CD GLN A 143 2.274 12.299 13.030 1.00 0.95 C ATOM 2250 OE1 GLN A 143 2.303 12.265 14.259 1.00 1.51 O ATOM 2251 NE2 GLN A 143 1.325 11.686 12.337 1.00 1.60 N ATOM 0 H GLN A 143 3.891 11.736 8.547 1.00 0.25 H new ATOM 0 HA GLN A 143 1.641 12.222 10.141 1.00 0.30 H new ATOM 0 HB2 GLN A 143 3.809 11.405 10.975 1.00 0.40 H new ATOM 0 HB3 GLN A 143 4.585 12.908 10.514 1.00 0.40 H new ATOM 0 HG2 GLN A 143 4.259 13.079 12.841 1.00 0.51 H new ATOM 0 HG3 GLN A 143 3.018 14.095 12.134 1.00 0.51 H new ATOM 0 HE21 GLN A 143 1.327 11.732 11.318 1.00 1.60 H new ATOM 0 HE22 GLN A 143 0.592 11.168 12.823 1.00 1.60 H new ATOM 2260 N GLU A 144 3.010 14.896 8.842 1.00 0.29 N ATOM 2261 CA GLU A 144 2.835 16.332 8.636 1.00 0.33 C ATOM 2262 C GLU A 144 1.416 16.652 8.170 1.00 0.29 C ATOM 2263 O GLU A 144 0.826 17.649 8.588 1.00 0.35 O ATOM 2264 CB GLU A 144 3.857 16.849 7.621 1.00 0.41 C ATOM 2265 CG GLU A 144 3.731 18.330 7.315 1.00 0.64 C ATOM 2266 CD GLU A 144 4.816 18.814 6.377 1.00 1.09 C ATOM 2267 OE1 GLU A 144 4.715 18.559 5.159 1.00 1.75 O ATOM 2268 OE2 GLU A 144 5.773 19.460 6.852 1.00 1.25 O ATOM 0 H GLU A 144 3.741 14.476 8.269 1.00 0.29 H new ATOM 0 HA GLU A 144 2.998 16.834 9.590 1.00 0.33 H new ATOM 0 HB2 GLU A 144 4.860 16.651 7.998 1.00 0.41 H new ATOM 0 HB3 GLU A 144 3.749 16.287 6.694 1.00 0.41 H new ATOM 0 HG2 GLU A 144 2.755 18.526 6.871 1.00 0.64 H new ATOM 0 HG3 GLU A 144 3.777 18.897 8.245 1.00 0.64 H new ATOM 2275 N ASN A 145 0.863 15.790 7.328 1.00 0.24 N ATOM 2276 CA ASN A 145 -0.487 15.994 6.812 1.00 0.28 C ATOM 2277 C ASN A 145 -1.524 15.332 7.712 1.00 0.30 C ATOM 2278 O ASN A 145 -2.708 15.284 7.384 1.00 0.42 O ATOM 2279 CB ASN A 145 -0.609 15.469 5.375 1.00 0.32 C ATOM 2280 CG ASN A 145 0.129 16.345 4.373 1.00 0.34 C ATOM 2281 OD1 ASN A 145 -0.436 17.302 3.839 1.00 0.40 O ATOM 2282 ND2 ASN A 145 1.389 16.028 4.099 1.00 0.33 N ATOM 0 H ASN A 145 1.324 14.946 6.988 1.00 0.24 H new ATOM 0 HA ASN A 145 -0.680 17.067 6.803 1.00 0.28 H new ATOM 0 HB2 ASN A 145 -0.214 14.454 5.327 1.00 0.32 H new ATOM 0 HB3 ASN A 145 -1.662 15.414 5.099 1.00 0.32 H new ATOM 0 HD21 ASN A 145 1.920 16.583 3.428 1.00 0.33 H new ATOM 0 HD22 ASN A 145 1.826 15.229 4.559 1.00 0.33 H new ATOM 2289 N GLY A 146 -1.070 14.832 8.852 1.00 0.25 N ATOM 2290 CA GLY A 146 -1.975 14.265 9.835 1.00 0.30 C ATOM 2291 C GLY A 146 -1.638 12.832 10.183 1.00 0.30 C ATOM 2292 O GLY A 146 -1.822 12.405 11.322 1.00 0.41 O ATOM 0 H GLY A 146 -0.085 14.808 9.116 1.00 0.25 H new ATOM 0 HA2 GLY A 146 -1.946 14.871 10.741 1.00 0.30 H new ATOM 0 HA3 GLY A 146 -2.995 14.311 9.453 1.00 0.30 H new ATOM 2296 N GLY A 147 -1.112 12.098 9.217 1.00 0.24 N ATOM 2297 CA GLY A 147 -0.768 10.714 9.444 1.00 0.22 C ATOM 2298 C GLY A 147 -1.487 9.787 8.487 1.00 0.19 C ATOM 2299 O GLY A 147 -2.089 10.241 7.511 1.00 0.20 O ATOM 0 H GLY A 147 -0.917 12.439 8.276 1.00 0.24 H new ATOM 0 HA2 GLY A 147 0.309 10.585 9.334 1.00 0.22 H new ATOM 0 HA3 GLY A 147 -1.018 10.442 10.469 1.00 0.22 H new ATOM 2303 N TRP A 148 -1.423 8.493 8.761 1.00 0.20 N ATOM 2304 CA TRP A 148 -2.068 7.496 7.919 1.00 0.21 C ATOM 2305 C TRP A 148 -3.583 7.661 7.914 1.00 0.23 C ATOM 2306 O TRP A 148 -4.232 7.394 6.906 1.00 0.25 O ATOM 2307 CB TRP A 148 -1.715 6.083 8.382 1.00 0.23 C ATOM 2308 CG TRP A 148 -0.304 5.682 8.083 1.00 0.23 C ATOM 2309 CD1 TRP A 148 0.700 5.444 8.980 1.00 0.28 C ATOM 2310 CD2 TRP A 148 0.259 5.467 6.785 1.00 0.22 C ATOM 2311 NE1 TRP A 148 1.844 5.074 8.317 1.00 0.29 N ATOM 2312 CE2 TRP A 148 1.599 5.085 6.971 1.00 0.25 C ATOM 2313 CE3 TRP A 148 -0.243 5.554 5.484 1.00 0.22 C ATOM 2314 CZ2 TRP A 148 2.442 4.789 5.906 1.00 0.26 C ATOM 2315 CZ3 TRP A 148 0.596 5.262 4.426 1.00 0.23 C ATOM 2316 CH2 TRP A 148 1.927 4.882 4.644 1.00 0.24 C ATOM 0 H TRP A 148 -0.928 8.107 9.565 1.00 0.20 H new ATOM 0 HA TRP A 148 -1.698 7.648 6.905 1.00 0.21 H new ATOM 0 HB2 TRP A 148 -1.883 6.011 9.457 1.00 0.23 H new ATOM 0 HB3 TRP A 148 -2.393 5.375 7.905 1.00 0.23 H new ATOM 0 HD1 TRP A 148 0.607 5.534 10.052 1.00 0.28 H new ATOM 0 HE1 TRP A 148 2.732 4.831 8.756 1.00 0.29 H new ATOM 0 HE3 TRP A 148 -1.268 5.844 5.309 1.00 0.22 H new ATOM 0 HZ2 TRP A 148 3.468 4.496 6.071 1.00 0.26 H new ATOM 0 HZ3 TRP A 148 0.220 5.328 3.416 1.00 0.23 H new ATOM 0 HH2 TRP A 148 2.559 4.658 3.797 1.00 0.24 H new ATOM 2327 N ASP A 149 -4.134 8.118 9.037 1.00 0.26 N ATOM 2328 CA ASP A 149 -5.585 8.284 9.182 1.00 0.31 C ATOM 2329 C ASP A 149 -6.146 9.221 8.116 1.00 0.30 C ATOM 2330 O ASP A 149 -7.322 9.145 7.767 1.00 0.37 O ATOM 2331 CB ASP A 149 -5.935 8.815 10.576 1.00 0.40 C ATOM 2332 CG ASP A 149 -5.291 10.152 10.872 1.00 1.24 C ATOM 2333 OD1 ASP A 149 -4.129 10.163 11.326 1.00 1.94 O ATOM 2334 OD2 ASP A 149 -5.948 11.196 10.662 1.00 1.96 O ATOM 0 H ASP A 149 -3.598 8.382 9.864 1.00 0.26 H new ATOM 0 HA ASP A 149 -6.040 7.302 9.052 1.00 0.31 H new ATOM 0 HB2 ASP A 149 -7.017 8.911 10.662 1.00 0.40 H new ATOM 0 HB3 ASP A 149 -5.619 8.090 11.326 1.00 0.40 H new ATOM 2339 N THR A 150 -5.297 10.100 7.605 1.00 0.27 N ATOM 2340 CA THR A 150 -5.673 10.989 6.519 1.00 0.29 C ATOM 2341 C THR A 150 -5.802 10.204 5.213 1.00 0.28 C ATOM 2342 O THR A 150 -6.801 10.316 4.500 1.00 0.33 O ATOM 2343 CB THR A 150 -4.623 12.103 6.361 1.00 0.33 C ATOM 2344 OG1 THR A 150 -4.479 12.799 7.605 1.00 0.38 O ATOM 2345 CG2 THR A 150 -5.016 13.085 5.269 1.00 0.37 C ATOM 0 H THR A 150 -4.337 10.216 7.929 1.00 0.27 H new ATOM 0 HA THR A 150 -6.637 11.440 6.754 1.00 0.29 H new ATOM 0 HB THR A 150 -3.676 11.644 6.076 1.00 0.33 H new ATOM 0 HG1 THR A 150 -3.903 13.582 7.477 1.00 0.38 H new ATOM 0 HG21 THR A 150 -4.253 13.859 5.184 1.00 0.37 H new ATOM 0 HG22 THR A 150 -5.105 12.557 4.320 1.00 0.37 H new ATOM 0 HG23 THR A 150 -5.972 13.544 5.520 1.00 0.37 H new ATOM 2353 N PHE A 151 -4.796 9.391 4.925 1.00 0.24 N ATOM 2354 CA PHE A 151 -4.773 8.595 3.705 1.00 0.25 C ATOM 2355 C PHE A 151 -5.867 7.530 3.733 1.00 0.26 C ATOM 2356 O PHE A 151 -6.551 7.301 2.735 1.00 0.30 O ATOM 2357 CB PHE A 151 -3.396 7.942 3.535 1.00 0.25 C ATOM 2358 CG PHE A 151 -3.276 7.086 2.305 1.00 0.27 C ATOM 2359 CD1 PHE A 151 -3.499 7.619 1.049 1.00 0.39 C ATOM 2360 CD2 PHE A 151 -2.933 5.749 2.409 1.00 0.26 C ATOM 2361 CE1 PHE A 151 -3.381 6.836 -0.081 1.00 0.43 C ATOM 2362 CE2 PHE A 151 -2.816 4.960 1.284 1.00 0.28 C ATOM 2363 CZ PHE A 151 -3.068 5.506 0.031 1.00 0.34 C ATOM 0 H PHE A 151 -3.980 9.264 5.523 1.00 0.24 H new ATOM 0 HA PHE A 151 -4.962 9.252 2.856 1.00 0.25 H new ATOM 0 HB2 PHE A 151 -2.636 8.723 3.498 1.00 0.25 H new ATOM 0 HB3 PHE A 151 -3.183 7.332 4.413 1.00 0.25 H new ATOM 0 HD1 PHE A 151 -3.769 8.660 0.951 1.00 0.39 H new ATOM 0 HD2 PHE A 151 -2.755 5.318 3.383 1.00 0.26 H new ATOM 0 HE1 PHE A 151 -3.536 7.272 -1.057 1.00 0.43 H new ATOM 0 HE2 PHE A 151 -2.530 3.923 1.376 1.00 0.28 H new ATOM 0 HZ PHE A 151 -3.017 4.885 -0.851 1.00 0.34 H new ATOM 2373 N VAL A 152 -6.040 6.898 4.888 1.00 0.25 N ATOM 2374 CA VAL A 152 -7.047 5.860 5.055 1.00 0.29 C ATOM 2375 C VAL A 152 -8.446 6.444 4.913 1.00 0.35 C ATOM 2376 O VAL A 152 -9.332 5.816 4.340 1.00 0.45 O ATOM 2377 CB VAL A 152 -6.909 5.165 6.423 1.00 0.29 C ATOM 2378 CG1 VAL A 152 -7.944 4.061 6.578 1.00 0.35 C ATOM 2379 CG2 VAL A 152 -5.508 4.604 6.591 1.00 0.28 C ATOM 0 H VAL A 152 -5.492 7.089 5.727 1.00 0.25 H new ATOM 0 HA VAL A 152 -6.889 5.118 4.273 1.00 0.29 H new ATOM 0 HB VAL A 152 -7.085 5.907 7.201 1.00 0.29 H new ATOM 0 HG11 VAL A 152 -7.826 3.586 7.552 1.00 0.35 H new ATOM 0 HG12 VAL A 152 -8.944 4.487 6.501 1.00 0.35 H new ATOM 0 HG13 VAL A 152 -7.804 3.318 5.792 1.00 0.35 H new ATOM 0 HG21 VAL A 152 -5.426 4.116 7.562 1.00 0.28 H new ATOM 0 HG22 VAL A 152 -5.310 3.878 5.802 1.00 0.28 H new ATOM 0 HG23 VAL A 152 -4.782 5.414 6.529 1.00 0.28 H new ATOM 2389 N GLU A 153 -8.628 7.656 5.421 1.00 0.37 N ATOM 2390 CA GLU A 153 -9.906 8.351 5.329 1.00 0.46 C ATOM 2391 C GLU A 153 -10.312 8.551 3.867 1.00 0.51 C ATOM 2392 O GLU A 153 -11.492 8.459 3.520 1.00 0.62 O ATOM 2393 CB GLU A 153 -9.811 9.702 6.042 1.00 0.52 C ATOM 2394 CG GLU A 153 -11.128 10.450 6.140 1.00 0.70 C ATOM 2395 CD GLU A 153 -11.000 11.728 6.938 1.00 1.35 C ATOM 2396 OE1 GLU A 153 -11.129 11.674 8.178 1.00 1.42 O ATOM 2397 OE2 GLU A 153 -10.763 12.794 6.331 1.00 2.17 O ATOM 0 H GLU A 153 -7.900 8.182 5.905 1.00 0.37 H new ATOM 0 HA GLU A 153 -10.670 7.742 5.813 1.00 0.46 H new ATOM 0 HB2 GLU A 153 -9.421 9.542 7.047 1.00 0.52 H new ATOM 0 HB3 GLU A 153 -9.090 10.327 5.516 1.00 0.52 H new ATOM 0 HG2 GLU A 153 -11.487 10.684 5.138 1.00 0.70 H new ATOM 0 HG3 GLU A 153 -11.876 9.807 6.604 1.00 0.70 H new ATOM 2404 N LEU A 154 -9.323 8.792 3.013 1.00 0.50 N ATOM 2405 CA LEU A 154 -9.571 9.029 1.591 1.00 0.59 C ATOM 2406 C LEU A 154 -10.053 7.758 0.891 1.00 0.68 C ATOM 2407 O LEU A 154 -10.719 7.821 -0.142 1.00 0.74 O ATOM 2408 CB LEU A 154 -8.302 9.548 0.907 1.00 0.65 C ATOM 2409 CG LEU A 154 -7.745 10.855 1.471 1.00 0.64 C ATOM 2410 CD1 LEU A 154 -6.442 11.216 0.776 1.00 0.75 C ATOM 2411 CD2 LEU A 154 -8.759 11.978 1.321 1.00 0.67 C ATOM 0 H LEU A 154 -8.339 8.829 3.279 1.00 0.50 H new ATOM 0 HA LEU A 154 -10.356 9.782 1.513 1.00 0.59 H new ATOM 0 HB2 LEU A 154 -7.530 8.782 0.980 1.00 0.65 H new ATOM 0 HB3 LEU A 154 -8.512 9.689 -0.153 1.00 0.65 H new ATOM 0 HG LEU A 154 -7.545 10.716 2.533 1.00 0.64 H new ATOM 0 HD11 LEU A 154 -6.056 12.149 1.187 1.00 0.75 H new ATOM 0 HD12 LEU A 154 -5.713 10.421 0.934 1.00 0.75 H new ATOM 0 HD13 LEU A 154 -6.621 11.337 -0.292 1.00 0.75 H new ATOM 0 HD21 LEU A 154 -8.344 12.900 1.728 1.00 0.67 H new ATOM 0 HD22 LEU A 154 -8.991 12.120 0.266 1.00 0.67 H new ATOM 0 HD23 LEU A 154 -9.670 11.720 1.862 1.00 0.67 H new ATOM 2444 N GLY A 156 -11.634 5.350 2.808 1.00 0.89 N ATOM 2445 CA GLY A 156 -12.456 4.747 3.838 1.00 1.02 C ATOM 2446 C GLY A 156 -13.916 5.123 3.719 1.00 1.11 C ATOM 2447 O GLY A 156 -14.365 6.098 4.323 1.00 1.68 O ATOM 0 HA2 GLY A 156 -12.360 3.663 3.785 1.00 1.02 H new ATOM 0 HA3 GLY A 156 -12.086 5.052 4.817 1.00 1.02 H new ATOM 2451 N ASN A 157 -14.656 4.356 2.936 1.00 1.62 N ATOM 2452 CA ASN A 157 -16.088 4.575 2.783 1.00 2.05 C ATOM 2453 C ASN A 157 -16.860 3.595 3.650 1.00 2.33 C ATOM 2454 O ASN A 157 -17.940 3.911 4.157 1.00 2.52 O ATOM 2455 CB ASN A 157 -16.514 4.430 1.319 1.00 3.21 C ATOM 2456 CG ASN A 157 -15.916 5.501 0.431 1.00 3.90 C ATOM 2457 OD1 ASN A 157 -16.468 6.596 0.305 1.00 4.30 O ATOM 2458 ND2 ASN A 157 -14.800 5.192 -0.210 1.00 4.60 N ATOM 0 H ASN A 157 -14.289 3.573 2.394 1.00 1.62 H new ATOM 0 HA ASN A 157 -16.313 5.592 3.103 1.00 2.05 H new ATOM 0 HB2 ASN A 157 -16.213 3.449 0.952 1.00 3.21 H new ATOM 0 HB3 ASN A 157 -17.601 4.475 1.254 1.00 3.21 H new ATOM 0 HD21 ASN A 157 -14.366 5.871 -0.835 1.00 4.60 H new ATOM 0 HD22 ASN A 157 -14.374 4.275 -0.079 1.00 4.60 H new ATOM 2465 N ASN A 158 -16.290 2.408 3.830 1.00 2.99 N ATOM 2466 CA ASN A 158 -16.894 1.386 4.680 1.00 4.03 C ATOM 2467 C ASN A 158 -16.871 1.844 6.129 1.00 4.18 C ATOM 2468 O ASN A 158 -17.894 1.829 6.812 1.00 4.81 O ATOM 2469 CB ASN A 158 -16.149 0.055 4.546 1.00 5.08 C ATOM 2470 CG ASN A 158 -16.271 -0.550 3.163 1.00 5.98 C ATOM 2471 OD1 ASN A 158 -15.492 -0.232 2.265 1.00 6.22 O ATOM 2472 ND2 ASN A 158 -17.235 -1.436 2.985 1.00 6.76 N ATOM 0 H ASN A 158 -15.409 2.129 3.398 1.00 2.99 H new ATOM 0 HA ASN A 158 -17.925 1.237 4.360 1.00 4.03 H new ATOM 0 HB2 ASN A 158 -15.095 0.209 4.778 1.00 5.08 H new ATOM 0 HB3 ASN A 158 -16.538 -0.649 5.281 1.00 5.08 H new ATOM 0 HD21 ASN A 158 -17.354 -1.884 2.077 1.00 6.76 H new ATOM 0 HD22 ASN A 158 -17.860 -1.672 3.756 1.00 6.76 H new ATOM 2479 N ALA A 159 -15.697 2.272 6.582 1.00 3.95 N ATOM 2480 CA ALA A 159 -15.539 2.791 7.933 1.00 4.72 C ATOM 2481 C ALA A 159 -16.436 4.003 8.152 1.00 4.66 C ATOM 2482 O ALA A 159 -17.032 4.159 9.215 1.00 5.63 O ATOM 2483 CB ALA A 159 -14.084 3.154 8.191 1.00 4.78 C ATOM 0 H ALA A 159 -14.839 2.269 6.030 1.00 3.95 H new ATOM 0 HA ALA A 159 -15.836 2.014 8.638 1.00 4.72 H new ATOM 0 HB1 ALA A 159 -13.980 3.541 9.205 1.00 4.78 H new ATOM 0 HB2 ALA A 159 -13.462 2.267 8.075 1.00 4.78 H new ATOM 0 HB3 ALA A 159 -13.767 3.915 7.478 1.00 4.78 H new ATOM 2489 N ALA A 160 -16.542 4.841 7.122 1.00 3.75 N ATOM 2490 CA ALA A 160 -17.374 6.040 7.178 1.00 4.08 C ATOM 2491 C ALA A 160 -18.837 5.692 7.445 1.00 4.33 C ATOM 2492 O ALA A 160 -19.543 6.428 8.135 1.00 5.11 O ATOM 2493 CB ALA A 160 -17.249 6.831 5.886 1.00 3.59 C ATOM 0 H ALA A 160 -16.058 4.709 6.234 1.00 3.75 H new ATOM 0 HA ALA A 160 -17.019 6.653 8.006 1.00 4.08 H new ATOM 0 HB1 ALA A 160 -17.875 7.722 5.943 1.00 3.59 H new ATOM 0 HB2 ALA A 160 -16.210 7.126 5.739 1.00 3.59 H new ATOM 0 HB3 ALA A 160 -17.572 6.213 5.048 1.00 3.59 H new ATOM 2499 N ALA A 161 -19.286 4.564 6.905 1.00 3.93 N ATOM 2500 CA ALA A 161 -20.651 4.102 7.127 1.00 4.43 C ATOM 2501 C ALA A 161 -20.875 3.767 8.599 1.00 5.54 C ATOM 2502 O ALA A 161 -21.943 4.030 9.152 1.00 6.11 O ATOM 2503 CB ALA A 161 -20.959 2.901 6.248 1.00 4.39 C ATOM 0 H ALA A 161 -18.725 3.953 6.311 1.00 3.93 H new ATOM 0 HA ALA A 161 -21.333 4.908 6.855 1.00 4.43 H new ATOM 0 HB1 ALA A 161 -21.982 2.571 6.428 1.00 4.39 H new ATOM 0 HB2 ALA A 161 -20.847 3.179 5.200 1.00 4.39 H new ATOM 0 HB3 ALA A 161 -20.269 2.091 6.485 1.00 4.39 H new ATOM 2509 N GLU A 162 -19.853 3.208 9.238 1.00 5.98 N ATOM 2510 CA GLU A 162 -19.918 2.892 10.661 1.00 7.23 C ATOM 2511 C GLU A 162 -19.725 4.150 11.504 1.00 7.80 C ATOM 2512 O GLU A 162 -20.123 4.198 12.667 1.00 8.75 O ATOM 2513 CB GLU A 162 -18.872 1.839 11.030 1.00 7.72 C ATOM 2514 CG GLU A 162 -19.426 0.422 11.116 1.00 7.99 C ATOM 2515 CD GLU A 162 -20.126 -0.025 9.850 1.00 8.68 C ATOM 2516 OE1 GLU A 162 -19.450 -0.567 8.950 1.00 9.03 O ATOM 2517 OE2 GLU A 162 -21.352 0.176 9.736 1.00 9.09 O ATOM 0 H GLU A 162 -18.968 2.964 8.793 1.00 5.98 H new ATOM 0 HA GLU A 162 -20.907 2.485 10.871 1.00 7.23 H new ATOM 0 HB2 GLU A 162 -18.072 1.861 10.290 1.00 7.72 H new ATOM 0 HB3 GLU A 162 -18.427 2.104 11.989 1.00 7.72 H new ATOM 0 HG2 GLU A 162 -18.610 -0.267 11.334 1.00 7.99 H new ATOM 0 HG3 GLU A 162 -20.125 0.363 11.950 1.00 7.99 H new ATOM 2524 N SER A 163 -19.120 5.173 10.910 1.00 7.39 N ATOM 2525 CA SER A 163 -18.954 6.455 11.581 1.00 8.21 C ATOM 2526 C SER A 163 -20.290 7.194 11.669 1.00 8.28 C ATOM 2527 O SER A 163 -20.429 8.160 12.418 1.00 9.15 O ATOM 2528 CB SER A 163 -17.918 7.307 10.846 1.00 8.03 C ATOM 2529 OG SER A 163 -16.684 6.617 10.734 1.00 7.86 O ATOM 0 H SER A 163 -18.737 5.138 9.965 1.00 7.39 H new ATOM 0 HA SER A 163 -18.598 6.271 12.595 1.00 8.21 H new ATOM 0 HB2 SER A 163 -18.289 7.561 9.853 1.00 8.03 H new ATOM 0 HB3 SER A 163 -17.768 8.245 11.380 1.00 8.03 H new ATOM 0 HG SER A 163 -16.806 5.816 10.182 1.00 7.86 H new ATOM 2535 N ARG A 164 -21.279 6.720 10.914 1.00 7.47 N ATOM 2536 CA ARG A 164 -22.617 7.302 10.951 1.00 7.60 C ATOM 2537 C ARG A 164 -23.372 6.817 12.188 1.00 8.33 C ATOM 2538 O ARG A 164 -24.530 7.177 12.415 1.00 8.87 O ATOM 2539 CB ARG A 164 -23.395 6.960 9.680 1.00 6.69 C ATOM 2540 CG ARG A 164 -22.734 7.485 8.415 1.00 6.19 C ATOM 2541 CD ARG A 164 -23.637 7.338 7.203 1.00 5.74 C ATOM 2542 NE ARG A 164 -23.986 5.946 6.930 1.00 5.66 N ATOM 2543 CZ ARG A 164 -24.128 5.443 5.707 1.00 5.62 C ATOM 2544 NH1 ARG A 164 -23.947 6.214 4.643 1.00 5.62 N ATOM 2545 NH2 ARG A 164 -24.452 4.167 5.552 1.00 6.02 N ATOM 0 H ARG A 164 -21.178 5.935 10.270 1.00 7.47 H new ATOM 0 HA ARG A 164 -22.518 8.386 11.005 1.00 7.60 H new ATOM 0 HB2 ARG A 164 -23.499 5.878 9.606 1.00 6.69 H new ATOM 0 HB3 ARG A 164 -24.401 7.373 9.755 1.00 6.69 H new ATOM 0 HG2 ARG A 164 -22.475 8.535 8.550 1.00 6.19 H new ATOM 0 HG3 ARG A 164 -21.802 6.946 8.241 1.00 6.19 H new ATOM 0 HD2 ARG A 164 -24.549 7.913 7.362 1.00 5.74 H new ATOM 0 HD3 ARG A 164 -23.140 7.762 6.330 1.00 5.74 H new ATOM 0 HE ARG A 164 -24.129 5.323 7.725 1.00 5.66 H new ATOM 0 HH11 ARG A 164 -23.698 7.196 4.761 1.00 5.62 H new ATOM 0 HH12 ARG A 164 -24.057 5.825 3.707 1.00 5.62 H new ATOM 0 HH21 ARG A 164 -24.592 3.573 6.370 1.00 6.02 H new ATOM 0 HH22 ARG A 164 -24.562 3.779 4.615 1.00 6.02 H new ATOM 2559 N LYS A 165 -22.698 5.997 12.982 1.00 8.52 N ATOM 2560 CA LYS A 165 -23.217 5.546 14.265 1.00 9.41 C ATOM 2561 C LYS A 165 -23.343 6.725 15.229 1.00 10.47 C ATOM 2562 O LYS A 165 -24.227 6.755 16.083 1.00 11.24 O ATOM 2563 CB LYS A 165 -22.281 4.484 14.839 1.00 9.61 C ATOM 2564 CG LYS A 165 -22.661 3.983 16.218 1.00 9.69 C ATOM 2565 CD LYS A 165 -21.568 3.092 16.771 1.00 10.12 C ATOM 2566 CE LYS A 165 -21.843 2.678 18.202 1.00 10.34 C ATOM 2567 NZ LYS A 165 -20.683 1.961 18.790 1.00 10.42 N ATOM 0 H LYS A 165 -21.776 5.626 12.755 1.00 8.52 H new ATOM 0 HA LYS A 165 -24.208 5.114 14.125 1.00 9.41 H new ATOM 0 HB2 LYS A 165 -22.252 3.636 14.155 1.00 9.61 H new ATOM 0 HB3 LYS A 165 -21.272 4.893 14.882 1.00 9.61 H new ATOM 0 HG2 LYS A 165 -22.825 4.828 16.887 1.00 9.69 H new ATOM 0 HG3 LYS A 165 -23.599 3.430 16.166 1.00 9.69 H new ATOM 0 HD2 LYS A 165 -21.475 2.203 16.148 1.00 10.12 H new ATOM 0 HD3 LYS A 165 -20.614 3.616 16.722 1.00 10.12 H new ATOM 0 HE2 LYS A 165 -22.069 3.560 18.801 1.00 10.34 H new ATOM 0 HE3 LYS A 165 -22.724 2.037 18.234 1.00 10.34 H new ATOM 0 HZ1 LYS A 165 -20.902 1.691 19.770 1.00 10.42 H new ATOM 0 HZ2 LYS A 165 -20.484 1.107 18.232 1.00 10.42 H new ATOM 0 HZ3 LYS A 165 -19.849 2.583 18.781 1.00 10.42 H new ATOM 2581 N GLY A 166 -22.451 7.696 15.085 1.00 10.61 N ATOM 2582 CA GLY A 166 -22.528 8.897 15.893 1.00 11.72 C ATOM 2583 C GLY A 166 -23.344 9.978 15.215 1.00 12.02 C ATOM 2584 O GLY A 166 -23.794 10.928 15.854 1.00 13.02 O ATOM 0 H GLY A 166 -21.675 7.673 14.423 1.00 10.61 H new ATOM 0 HA2 GLY A 166 -22.973 8.658 16.859 1.00 11.72 H new ATOM 0 HA3 GLY A 166 -21.522 9.269 16.088 1.00 11.72 H new ATOM 2588 N GLN A 167 -23.555 9.813 13.916 1.00 11.25 N ATOM 2589 CA GLN A 167 -24.303 10.783 13.119 1.00 11.64 C ATOM 2590 C GLN A 167 -25.750 10.885 13.596 1.00 12.01 C ATOM 2591 O GLN A 167 -26.350 11.956 13.546 1.00 12.84 O ATOM 2592 CB GLN A 167 -24.260 10.394 11.635 1.00 10.86 C ATOM 2593 CG GLN A 167 -25.112 11.273 10.730 1.00 11.50 C ATOM 2594 CD GLN A 167 -25.051 10.835 9.281 1.00 11.89 C ATOM 2595 OE1 GLN A 167 -24.035 10.317 8.820 1.00 11.87 O ATOM 2596 NE2 GLN A 167 -26.139 11.028 8.556 1.00 12.41 N ATOM 0 H GLN A 167 -23.216 9.010 13.386 1.00 11.25 H new ATOM 0 HA GLN A 167 -23.835 11.759 13.244 1.00 11.64 H new ATOM 0 HB2 GLN A 167 -23.226 10.434 11.291 1.00 10.86 H new ATOM 0 HB3 GLN A 167 -24.590 9.360 11.533 1.00 10.86 H new ATOM 0 HG2 GLN A 167 -26.147 11.248 11.072 1.00 11.50 H new ATOM 0 HG3 GLN A 167 -24.775 12.307 10.809 1.00 11.50 H new ATOM 0 HE21 GLN A 167 -26.961 11.461 8.976 1.00 12.41 H new ATOM 0 HE22 GLN A 167 -26.156 10.744 7.577 1.00 12.41 H new ATOM 2605 N GLU A 168 -26.297 9.772 14.072 1.00 11.51 N ATOM 2606 CA GLU A 168 -27.676 9.738 14.550 1.00 11.94 C ATOM 2607 C GLU A 168 -27.887 10.727 15.698 1.00 13.03 C ATOM 2608 O GLU A 168 -28.878 11.454 15.729 1.00 13.73 O ATOM 2609 CB GLU A 168 -28.051 8.322 14.998 1.00 11.38 C ATOM 2610 CG GLU A 168 -27.102 7.740 16.033 1.00 10.85 C ATOM 2611 CD GLU A 168 -27.552 6.394 16.553 1.00 10.80 C ATOM 2612 OE1 GLU A 168 -27.379 5.385 15.837 1.00 10.74 O ATOM 2613 OE2 GLU A 168 -28.075 6.337 17.683 1.00 10.98 O ATOM 0 H GLU A 168 -25.807 8.880 14.138 1.00 11.51 H new ATOM 0 HA GLU A 168 -28.324 10.032 13.724 1.00 11.94 H new ATOM 0 HB2 GLU A 168 -29.060 8.335 15.410 1.00 11.38 H new ATOM 0 HB3 GLU A 168 -28.071 7.667 14.127 1.00 11.38 H new ATOM 0 HG2 GLU A 168 -26.110 7.641 15.593 1.00 10.85 H new ATOM 0 HG3 GLU A 168 -27.013 8.435 16.868 1.00 10.85 H new