USER MOD reduce.3.24.130724 H: found=0, std=0, add=1042, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1048 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 18 LYS NZ :NH3+ -174:sc= 0.912 (180deg=-0.559) USER MOD Set 1.2: B 32 GLN : amide:sc= -0.37 K(o=0.54,f=-6.9!) USER MOD Set 2.1: B 27 GLN : amide:sc= -0.376 K(o=0.34,f=-1.2) USER MOD Set 2.2: B 64 SER OG : rot 162:sc= 0.718 USER MOD Set 3.1: A 32 GLN : amide:sc= -0.44 K(o=0.54,f=-7.3!) USER MOD Set 3.2: B 18 LYS NZ :NH3+ -172:sc= 0.976 (180deg=-0.584) USER MOD Set 4.1: A 27 GLN : amide:sc= -0.262 K(o=0.54,f=-1.1) USER MOD Set 4.2: A 64 SER OG : rot 162:sc= 0.805 USER MOD Single : A 15 MET CE :methyl -160:sc= -0.0778 (180deg=-0.477) USER MOD Single : A 17 ASN : amide:sc= -1.72 K(o=-1.7,f=-5.2!) USER MOD Single : A 19 LYS NZ :NH3+ 171:sc= 1.2 (180deg=1.09) USER MOD Single : A 23 TYR OH : rot 180:sc= -1.81! USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HE2:sc= 0.199 K(o=0.2,f=-1.6) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0113 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.69) USER MOD Single : A 45 SER OG : rot -120:sc= 1.16 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.218 F(o=-1.9!,f=-0.22) USER MOD Single : A 52 CYS SG : rot 80:sc= 1.24 USER MOD Single : A 55 THR OG1 : rot 88:sc= 1.31 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.666 K(o=0.67,f=-0.11) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0833 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -170:sc=-0.00764 (180deg=-0.107) USER MOD Single : B 15 MET CE :methyl -161:sc= -0.0726 (180deg=-0.467) USER MOD Single : B 17 ASN : amide:sc= -1.57 K(o=-1.6,f=-5!) USER MOD Single : B 19 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.22) USER MOD Single : B 23 TYR OH : rot 180:sc= -1.84! USER MOD Single : B 30 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD Single : B 35 HIS : no HE2:sc= 0.145 K(o=0.14,f=-1.7) USER MOD Single : B 39 SER OG : rot 180:sc= -0.0113 USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 43 GLN : amide:sc= -0.295 X(o=-0.29,f=-0.7) USER MOD Single : B 45 SER OG : rot -120:sc= 1.1 USER MOD Single : B 51 GLN :FLIP amide:sc= -0.235 F(o=-1.9!,f=-0.23) USER MOD Single : B 52 CYS SG : rot 71:sc= 1.26 USER MOD Single : B 55 THR OG1 : rot 86:sc= 1.3 USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 GLN : amide:sc= 0.616 K(o=0.62,f=-0.13) USER MOD Single : B 71 THR OG1 : rot 180:sc= -0.0924 USER MOD Single : B 81 THR OG1 : rot 180:sc= 0 USER MOD Single : B 83 LYS NZ :NH3+ -169:sc=-0.00302 (180deg=-0.123) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 16.210 7.117 -0.327 1.00 2.26 N ATOM 2 CA MET A 15 15.377 8.183 -0.932 1.00 1.69 C ATOM 3 C MET A 15 14.240 7.576 -1.750 1.00 1.42 C ATOM 4 O MET A 15 13.420 8.291 -2.326 1.00 1.57 O ATOM 5 CB MET A 15 16.234 9.083 -1.827 1.00 1.82 C ATOM 6 CG MET A 15 17.451 9.663 -1.124 1.00 2.22 C ATOM 7 SD MET A 15 17.032 10.889 0.131 1.00 3.04 S ATOM 8 CE MET A 15 16.386 12.215 -0.886 1.00 3.68 C ATOM 0 HA MET A 15 14.951 8.782 -0.127 1.00 1.69 H new ATOM 0 HB2 MET A 15 16.565 8.510 -2.693 1.00 1.82 H new ATOM 0 HB3 MET A 15 15.618 9.900 -2.202 1.00 1.82 H new ATOM 0 HG2 MET A 15 18.013 8.854 -0.658 1.00 2.22 H new ATOM 0 HG3 MET A 15 18.106 10.121 -1.865 1.00 2.22 H new ATOM 0 HE1 MET A 15 16.417 13.150 -0.327 1.00 3.68 H new ATOM 0 HE2 MET A 15 16.992 12.311 -1.787 1.00 3.68 H new ATOM 0 HE3 MET A 15 15.356 11.992 -1.163 1.00 3.68 H new ATOM 20 N ASP A 16 14.195 6.250 -1.799 1.00 1.26 N ATOM 21 CA ASP A 16 13.162 5.542 -2.546 1.00 1.13 C ATOM 22 C ASP A 16 11.860 5.519 -1.755 1.00 0.92 C ATOM 23 O ASP A 16 11.808 5.000 -0.643 1.00 1.01 O ATOM 24 CB ASP A 16 13.621 4.114 -2.850 1.00 1.39 C ATOM 25 CG ASP A 16 12.607 3.319 -3.647 1.00 1.84 C ATOM 26 OD1 ASP A 16 11.692 2.732 -3.040 1.00 2.40 O ATOM 27 OD2 ASP A 16 12.735 3.263 -4.892 1.00 2.28 O ATOM 0 H ASP A 16 14.865 5.641 -1.328 1.00 1.26 H new ATOM 0 HA ASP A 16 12.988 6.065 -3.487 1.00 1.13 H new ATOM 0 HB2 ASP A 16 14.560 4.151 -3.402 1.00 1.39 H new ATOM 0 HB3 ASP A 16 13.823 3.597 -1.912 1.00 1.39 H new ATOM 32 N ASN A 17 10.817 6.108 -2.318 1.00 0.78 N ATOM 33 CA ASN A 17 9.519 6.158 -1.654 1.00 0.74 C ATOM 34 C ASN A 17 8.803 4.819 -1.733 1.00 0.61 C ATOM 35 O ASN A 17 8.023 4.479 -0.853 1.00 0.65 O ATOM 36 CB ASN A 17 8.641 7.254 -2.261 1.00 0.92 C ATOM 37 CG ASN A 17 7.198 7.139 -1.815 1.00 1.56 C ATOM 38 OD1 ASN A 17 6.371 6.548 -2.504 1.00 2.52 O ATOM 39 ND2 ASN A 17 6.888 7.681 -0.650 1.00 1.71 N ATOM 0 H ASN A 17 10.841 6.559 -3.233 1.00 0.78 H new ATOM 0 HA ASN A 17 9.699 6.389 -0.604 1.00 0.74 H new ATOM 0 HB2 ASN A 17 9.032 8.231 -1.976 1.00 0.92 H new ATOM 0 HB3 ASN A 17 8.690 7.197 -3.348 1.00 0.92 H new ATOM 0 HD21 ASN A 17 5.934 7.616 -0.295 1.00 1.71 H new ATOM 0 HD22 ASN A 17 7.603 8.164 -0.106 1.00 1.71 H new ATOM 46 N LYS A 18 9.103 4.054 -2.768 1.00 0.59 N ATOM 47 CA LYS A 18 8.405 2.800 -3.028 1.00 0.62 C ATOM 48 C LYS A 18 8.534 1.841 -1.850 1.00 0.53 C ATOM 49 O LYS A 18 7.531 1.389 -1.296 1.00 0.48 O ATOM 50 CB LYS A 18 8.948 2.156 -4.299 1.00 0.82 C ATOM 51 CG LYS A 18 8.979 3.105 -5.486 1.00 1.09 C ATOM 52 CD LYS A 18 7.584 3.562 -5.881 1.00 1.04 C ATOM 53 CE LYS A 18 6.785 2.434 -6.513 1.00 1.44 C ATOM 54 NZ LYS A 18 7.456 1.892 -7.726 1.00 1.90 N ATOM 0 H LYS A 18 9.830 4.278 -3.448 1.00 0.59 H new ATOM 0 HA LYS A 18 7.346 3.021 -3.163 1.00 0.62 H new ATOM 0 HB2 LYS A 18 9.957 1.788 -4.110 1.00 0.82 H new ATOM 0 HB3 LYS A 18 8.335 1.290 -4.550 1.00 0.82 H new ATOM 0 HG2 LYS A 18 9.590 3.974 -5.241 1.00 1.09 H new ATOM 0 HG3 LYS A 18 9.453 2.611 -6.334 1.00 1.09 H new ATOM 0 HD2 LYS A 18 7.059 3.932 -5.001 1.00 1.04 H new ATOM 0 HD3 LYS A 18 7.657 4.394 -6.582 1.00 1.04 H new ATOM 0 HE2 LYS A 18 6.648 1.634 -5.786 1.00 1.44 H new ATOM 0 HE3 LYS A 18 5.792 2.797 -6.779 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 6.834 1.196 -8.185 1.00 1.90 H new ATOM 0 HZ2 LYS A 18 7.656 2.668 -8.388 1.00 1.90 H new ATOM 0 HZ3 LYS A 18 8.348 1.432 -7.453 1.00 1.90 H new ATOM 68 N LYS A 19 9.764 1.545 -1.450 1.00 0.60 N ATOM 69 CA LYS A 19 9.986 0.639 -0.331 1.00 0.61 C ATOM 70 C LYS A 19 9.590 1.291 0.993 1.00 0.53 C ATOM 71 O LYS A 19 9.278 0.603 1.966 1.00 0.55 O ATOM 72 CB LYS A 19 11.439 0.121 -0.295 1.00 0.77 C ATOM 73 CG LYS A 19 12.533 1.171 -0.505 1.00 0.82 C ATOM 74 CD LYS A 19 12.674 2.139 0.664 1.00 1.19 C ATOM 75 CE LYS A 19 12.991 1.431 1.974 1.00 1.06 C ATOM 76 NZ LYS A 19 14.233 0.616 1.899 1.00 1.49 N ATOM 0 H LYS A 19 10.613 1.914 -1.878 1.00 0.60 H new ATOM 0 HA LYS A 19 9.342 -0.228 -0.479 1.00 0.61 H new ATOM 0 HB2 LYS A 19 11.607 -0.362 0.667 1.00 0.77 H new ATOM 0 HB3 LYS A 19 11.549 -0.647 -1.061 1.00 0.77 H new ATOM 0 HG2 LYS A 19 13.485 0.666 -0.666 1.00 0.82 H new ATOM 0 HG3 LYS A 19 12.315 1.736 -1.411 1.00 0.82 H new ATOM 0 HD2 LYS A 19 13.463 2.857 0.443 1.00 1.19 H new ATOM 0 HD3 LYS A 19 11.749 2.705 0.776 1.00 1.19 H new ATOM 0 HE2 LYS A 19 13.094 2.172 2.767 1.00 1.06 H new ATOM 0 HE3 LYS A 19 12.155 0.787 2.246 1.00 1.06 H new ATOM 0 HZ1 LYS A 19 14.486 0.280 2.850 1.00 1.49 H new ATOM 0 HZ2 LYS A 19 14.075 -0.201 1.274 1.00 1.49 H new ATOM 0 HZ3 LYS A 19 15.007 1.197 1.520 1.00 1.49 H new ATOM 90 N ARG A 20 9.574 2.618 1.023 1.00 0.54 N ATOM 91 CA ARG A 20 9.184 3.337 2.226 1.00 0.58 C ATOM 92 C ARG A 20 7.677 3.289 2.412 1.00 0.54 C ATOM 93 O ARG A 20 7.180 3.216 3.535 1.00 0.61 O ATOM 94 CB ARG A 20 9.668 4.790 2.198 1.00 0.70 C ATOM 95 CG ARG A 20 11.156 4.943 2.471 1.00 0.82 C ATOM 96 CD ARG A 20 11.564 6.402 2.554 1.00 1.01 C ATOM 97 NE ARG A 20 11.487 7.067 1.257 1.00 1.31 N ATOM 98 CZ ARG A 20 11.599 8.382 1.090 1.00 1.45 C ATOM 99 NH1 ARG A 20 11.804 9.171 2.137 1.00 1.32 N ATOM 100 NH2 ARG A 20 11.524 8.910 -0.127 1.00 2.34 N ATOM 0 H ARG A 20 9.825 3.213 0.233 1.00 0.54 H new ATOM 0 HA ARG A 20 9.661 2.842 3.072 1.00 0.58 H new ATOM 0 HB2 ARG A 20 9.440 5.221 1.223 1.00 0.70 H new ATOM 0 HB3 ARG A 20 9.111 5.364 2.938 1.00 0.70 H new ATOM 0 HG2 ARG A 20 11.408 4.441 3.405 1.00 0.82 H new ATOM 0 HG3 ARG A 20 11.723 4.451 1.681 1.00 0.82 H new ATOM 0 HD2 ARG A 20 10.919 6.919 3.265 1.00 1.01 H new ATOM 0 HD3 ARG A 20 12.582 6.472 2.937 1.00 1.01 H new ATOM 0 HE ARG A 20 11.339 6.489 0.430 1.00 1.31 H new ATOM 0 HH11 ARG A 20 11.876 8.769 3.072 1.00 1.32 H new ATOM 0 HH12 ARG A 20 11.890 10.179 2.007 1.00 1.32 H new ATOM 0 HH21 ARG A 20 11.380 8.307 -0.937 1.00 2.34 H new ATOM 0 HH22 ARG A 20 11.610 9.919 -0.252 1.00 2.34 H new ATOM 114 N LEU A 21 6.958 3.311 1.303 1.00 0.54 N ATOM 115 CA LEU A 21 5.512 3.240 1.333 1.00 0.59 C ATOM 116 C LEU A 21 5.078 1.881 1.865 1.00 0.57 C ATOM 117 O LEU A 21 4.097 1.773 2.601 1.00 0.64 O ATOM 118 CB LEU A 21 4.944 3.536 -0.073 1.00 0.64 C ATOM 119 CG LEU A 21 4.424 2.348 -0.901 1.00 0.61 C ATOM 120 CD1 LEU A 21 3.028 1.960 -0.464 1.00 0.70 C ATOM 121 CD2 LEU A 21 4.396 2.695 -2.374 1.00 0.61 C ATOM 0 H LEU A 21 7.357 3.378 0.367 1.00 0.54 H new ATOM 0 HA LEU A 21 5.111 3.996 2.007 1.00 0.59 H new ATOM 0 HB2 LEU A 21 4.127 4.249 0.039 1.00 0.64 H new ATOM 0 HB3 LEU A 21 5.723 4.032 -0.652 1.00 0.64 H new ATOM 0 HG LEU A 21 5.102 1.510 -0.737 1.00 0.61 H new ATOM 0 HD11 LEU A 21 2.680 1.118 -1.063 1.00 0.70 H new ATOM 0 HD12 LEU A 21 3.042 1.676 0.588 1.00 0.70 H new ATOM 0 HD13 LEU A 21 2.355 2.806 -0.602 1.00 0.70 H new ATOM 0 HD21 LEU A 21 4.025 1.842 -2.942 1.00 0.61 H new ATOM 0 HD22 LEU A 21 3.739 3.550 -2.534 1.00 0.61 H new ATOM 0 HD23 LEU A 21 5.403 2.943 -2.708 1.00 0.61 H new ATOM 133 N ALA A 22 5.845 0.856 1.522 1.00 0.56 N ATOM 134 CA ALA A 22 5.537 -0.506 1.923 1.00 0.63 C ATOM 135 C ALA A 22 5.533 -0.665 3.439 1.00 0.51 C ATOM 136 O ALA A 22 4.505 -0.998 4.025 1.00 0.44 O ATOM 137 CB ALA A 22 6.523 -1.470 1.296 1.00 0.83 C ATOM 0 H ALA A 22 6.693 0.945 0.962 1.00 0.56 H new ATOM 0 HA ALA A 22 4.533 -0.736 1.567 1.00 0.63 H new ATOM 0 HB1 ALA A 22 6.283 -2.488 1.603 1.00 0.83 H new ATOM 0 HB2 ALA A 22 6.464 -1.396 0.210 1.00 0.83 H new ATOM 0 HB3 ALA A 22 7.533 -1.221 1.623 1.00 0.83 H new ATOM 143 N TYR A 23 6.675 -0.412 4.078 1.00 0.62 N ATOM 144 CA TYR A 23 6.800 -0.646 5.517 1.00 0.76 C ATOM 145 C TYR A 23 5.866 0.271 6.294 1.00 0.67 C ATOM 146 O TYR A 23 5.329 -0.108 7.334 1.00 0.67 O ATOM 147 CB TYR A 23 8.253 -0.465 5.984 1.00 1.11 C ATOM 148 CG TYR A 23 8.690 0.967 6.218 1.00 1.03 C ATOM 149 CD1 TYR A 23 8.422 1.616 7.420 1.00 1.86 C ATOM 150 CD2 TYR A 23 9.378 1.665 5.241 1.00 1.46 C ATOM 151 CE1 TYR A 23 8.822 2.920 7.632 1.00 2.48 C ATOM 152 CE2 TYR A 23 9.784 2.968 5.448 1.00 1.82 C ATOM 153 CZ TYR A 23 9.506 3.591 6.641 1.00 2.23 C ATOM 154 OH TYR A 23 9.907 4.892 6.835 1.00 2.99 O ATOM 0 H TYR A 23 7.517 -0.050 3.630 1.00 0.62 H new ATOM 0 HA TYR A 23 6.511 -1.678 5.715 1.00 0.76 H new ATOM 0 HB2 TYR A 23 8.391 -1.024 6.909 1.00 1.11 H new ATOM 0 HB3 TYR A 23 8.913 -0.911 5.240 1.00 1.11 H new ATOM 0 HD1 TYR A 23 7.892 1.090 8.200 1.00 1.86 H new ATOM 0 HD2 TYR A 23 9.601 1.182 4.301 1.00 1.46 H new ATOM 0 HE1 TYR A 23 8.601 3.411 8.568 1.00 2.48 H new ATOM 0 HE2 TYR A 23 10.319 3.497 4.674 1.00 1.82 H new ATOM 0 HH TYR A 23 10.377 5.212 6.037 1.00 2.99 H new ATOM 164 N ALA A 24 5.681 1.475 5.778 1.00 0.72 N ATOM 165 CA ALA A 24 4.784 2.443 6.397 1.00 0.87 C ATOM 166 C ALA A 24 3.356 1.915 6.426 1.00 0.75 C ATOM 167 O ALA A 24 2.657 2.042 7.432 1.00 0.84 O ATOM 168 CB ALA A 24 4.844 3.768 5.663 1.00 1.14 C ATOM 0 H ALA A 24 6.140 1.808 4.930 1.00 0.72 H new ATOM 0 HA ALA A 24 5.111 2.601 7.425 1.00 0.87 H new ATOM 0 HB1 ALA A 24 4.168 4.478 6.139 1.00 1.14 H new ATOM 0 HB2 ALA A 24 5.862 4.157 5.697 1.00 1.14 H new ATOM 0 HB3 ALA A 24 4.545 3.623 4.625 1.00 1.14 H new ATOM 174 N ILE A 25 2.929 1.324 5.317 1.00 0.62 N ATOM 175 CA ILE A 25 1.624 0.685 5.252 1.00 0.71 C ATOM 176 C ILE A 25 1.602 -0.548 6.145 1.00 0.61 C ATOM 177 O ILE A 25 0.636 -0.780 6.864 1.00 0.66 O ATOM 178 CB ILE A 25 1.249 0.297 3.802 1.00 0.80 C ATOM 179 CG1 ILE A 25 1.033 1.555 2.959 1.00 0.97 C ATOM 180 CG2 ILE A 25 0.004 -0.580 3.773 1.00 0.91 C ATOM 181 CD1 ILE A 25 0.651 1.264 1.525 1.00 0.89 C ATOM 0 H ILE A 25 3.468 1.275 4.452 1.00 0.62 H new ATOM 0 HA ILE A 25 0.884 1.403 5.606 1.00 0.71 H new ATOM 0 HB ILE A 25 2.074 -0.276 3.379 1.00 0.80 H new ATOM 0 HG12 ILE A 25 0.252 2.161 3.419 1.00 0.97 H new ATOM 0 HG13 ILE A 25 1.946 2.151 2.969 1.00 0.97 H new ATOM 0 HG21 ILE A 25 -0.236 -0.837 2.741 1.00 0.91 H new ATOM 0 HG22 ILE A 25 0.188 -1.492 4.341 1.00 0.91 H new ATOM 0 HG23 ILE A 25 -0.832 -0.039 4.216 1.00 0.91 H new ATOM 0 HD11 ILE A 25 0.514 2.202 0.987 1.00 0.89 H new ATOM 0 HD12 ILE A 25 1.442 0.685 1.048 1.00 0.89 H new ATOM 0 HD13 ILE A 25 -0.278 0.695 1.504 1.00 0.89 H new ATOM 193 N ILE A 26 2.687 -1.316 6.112 1.00 0.53 N ATOM 194 CA ILE A 26 2.823 -2.511 6.941 1.00 0.53 C ATOM 195 C ILE A 26 2.605 -2.200 8.422 1.00 0.51 C ATOM 196 O ILE A 26 1.746 -2.798 9.067 1.00 0.53 O ATOM 197 CB ILE A 26 4.213 -3.161 6.763 1.00 0.58 C ATOM 198 CG1 ILE A 26 4.337 -3.802 5.376 1.00 0.67 C ATOM 199 CG2 ILE A 26 4.466 -4.185 7.857 1.00 0.62 C ATOM 200 CD1 ILE A 26 5.714 -4.368 5.088 1.00 0.78 C ATOM 0 H ILE A 26 3.492 -1.130 5.514 1.00 0.53 H new ATOM 0 HA ILE A 26 2.053 -3.208 6.609 1.00 0.53 H new ATOM 0 HB ILE A 26 4.971 -2.382 6.844 1.00 0.58 H new ATOM 0 HG12 ILE A 26 3.600 -4.600 5.287 1.00 0.67 H new ATOM 0 HG13 ILE A 26 4.094 -3.057 4.618 1.00 0.67 H new ATOM 0 HG21 ILE A 26 5.450 -4.633 7.716 1.00 0.62 H new ATOM 0 HG22 ILE A 26 4.427 -3.695 8.830 1.00 0.62 H new ATOM 0 HG23 ILE A 26 3.703 -4.963 7.811 1.00 0.62 H new ATOM 0 HD11 ILE A 26 5.726 -4.805 4.089 1.00 0.78 H new ATOM 0 HD12 ILE A 26 6.454 -3.570 5.144 1.00 0.78 H new ATOM 0 HD13 ILE A 26 5.953 -5.137 5.823 1.00 0.78 H new ATOM 212 N GLN A 27 3.381 -1.259 8.949 1.00 0.54 N ATOM 213 CA GLN A 27 3.318 -0.915 10.366 1.00 0.62 C ATOM 214 C GLN A 27 1.930 -0.418 10.749 1.00 0.55 C ATOM 215 O GLN A 27 1.392 -0.788 11.794 1.00 0.57 O ATOM 216 CB GLN A 27 4.370 0.140 10.706 1.00 0.79 C ATOM 217 CG GLN A 27 5.799 -0.343 10.509 1.00 0.89 C ATOM 218 CD GLN A 27 6.154 -1.506 11.417 1.00 1.10 C ATOM 219 OE1 GLN A 27 6.638 -1.312 12.532 1.00 1.58 O ATOM 220 NE2 GLN A 27 5.928 -2.722 10.944 1.00 1.34 N ATOM 0 H GLN A 27 4.063 -0.719 8.415 1.00 0.54 H new ATOM 0 HA GLN A 27 3.526 -1.818 10.940 1.00 0.62 H new ATOM 0 HB2 GLN A 27 4.204 1.021 10.086 1.00 0.79 H new ATOM 0 HB3 GLN A 27 4.240 0.451 11.743 1.00 0.79 H new ATOM 0 HG2 GLN A 27 5.937 -0.643 9.470 1.00 0.89 H new ATOM 0 HG3 GLN A 27 6.486 0.482 10.696 1.00 0.89 H new ATOM 0 HE21 GLN A 27 5.525 -2.841 10.014 1.00 1.34 H new ATOM 0 HE22 GLN A 27 6.157 -3.540 11.509 1.00 1.34 H new ATOM 229 N PHE A 28 1.347 0.406 9.887 1.00 0.52 N ATOM 230 CA PHE A 28 0.014 0.932 10.128 1.00 0.51 C ATOM 231 C PHE A 28 -1.012 -0.193 10.084 1.00 0.43 C ATOM 232 O PHE A 28 -1.879 -0.285 10.947 1.00 0.42 O ATOM 233 CB PHE A 28 -0.335 2.003 9.094 1.00 0.60 C ATOM 234 CG PHE A 28 -1.674 2.647 9.326 1.00 0.90 C ATOM 235 CD1 PHE A 28 -1.809 3.683 10.236 1.00 1.60 C ATOM 236 CD2 PHE A 28 -2.794 2.215 8.633 1.00 1.62 C ATOM 237 CE1 PHE A 28 -3.038 4.276 10.452 1.00 1.98 C ATOM 238 CE2 PHE A 28 -4.025 2.804 8.847 1.00 1.95 C ATOM 239 CZ PHE A 28 -4.147 3.835 9.757 1.00 1.83 C ATOM 0 H PHE A 28 1.777 0.722 9.018 1.00 0.52 H new ATOM 0 HA PHE A 28 -0.004 1.387 11.118 1.00 0.51 H new ATOM 0 HB2 PHE A 28 0.436 2.773 9.105 1.00 0.60 H new ATOM 0 HB3 PHE A 28 -0.323 1.555 8.100 1.00 0.60 H new ATOM 0 HD1 PHE A 28 -0.945 4.031 10.782 1.00 1.60 H new ATOM 0 HD2 PHE A 28 -2.703 1.410 7.919 1.00 1.62 H new ATOM 0 HE1 PHE A 28 -3.131 5.083 11.163 1.00 1.98 H new ATOM 0 HE2 PHE A 28 -4.891 2.458 8.303 1.00 1.95 H new ATOM 0 HZ PHE A 28 -5.109 4.296 9.925 1.00 1.83 H new ATOM 249 N LEU A 29 -0.895 -1.056 9.081 1.00 0.45 N ATOM 250 CA LEU A 29 -1.807 -2.180 8.920 1.00 0.45 C ATOM 251 C LEU A 29 -1.658 -3.174 10.063 1.00 0.45 C ATOM 252 O LEU A 29 -2.603 -3.878 10.394 1.00 0.48 O ATOM 253 CB LEU A 29 -1.576 -2.887 7.581 1.00 0.53 C ATOM 254 CG LEU A 29 -2.575 -2.536 6.472 1.00 0.59 C ATOM 255 CD1 LEU A 29 -2.592 -1.039 6.201 1.00 0.57 C ATOM 256 CD2 LEU A 29 -2.247 -3.307 5.203 1.00 0.70 C ATOM 0 H LEU A 29 -0.172 -0.997 8.364 1.00 0.45 H new ATOM 0 HA LEU A 29 -2.822 -1.782 8.935 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -0.572 -2.648 7.231 1.00 0.53 H new ATOM 0 HB3 LEU A 29 -1.607 -3.964 7.748 1.00 0.53 H new ATOM 0 HG LEU A 29 -3.571 -2.824 6.809 1.00 0.59 H new ATOM 0 HD11 LEU A 29 -3.310 -0.821 5.410 1.00 0.57 H new ATOM 0 HD12 LEU A 29 -2.879 -0.508 7.109 1.00 0.57 H new ATOM 0 HD13 LEU A 29 -1.599 -0.714 5.890 1.00 0.57 H new ATOM 0 HD21 LEU A 29 -2.964 -3.048 4.424 1.00 0.70 H new ATOM 0 HD22 LEU A 29 -1.241 -3.049 4.870 1.00 0.70 H new ATOM 0 HD23 LEU A 29 -2.300 -4.377 5.404 1.00 0.70 H new ATOM 268 N HIS A 30 -0.474 -3.229 10.657 1.00 0.47 N ATOM 269 CA HIS A 30 -0.234 -4.099 11.801 1.00 0.53 C ATOM 270 C HIS A 30 -0.968 -3.571 13.032 1.00 0.47 C ATOM 271 O HIS A 30 -1.626 -4.326 13.749 1.00 0.49 O ATOM 272 CB HIS A 30 1.266 -4.211 12.087 1.00 0.67 C ATOM 273 CG HIS A 30 1.593 -5.155 13.201 1.00 0.93 C ATOM 274 ND1 HIS A 30 2.123 -4.748 14.406 1.00 1.11 N ATOM 275 CD2 HIS A 30 1.465 -6.498 13.284 1.00 1.18 C ATOM 276 CE1 HIS A 30 2.310 -5.800 15.179 1.00 1.37 C ATOM 277 NE2 HIS A 30 1.917 -6.872 14.522 1.00 1.41 N ATOM 0 H HIS A 30 0.336 -2.681 10.366 1.00 0.47 H new ATOM 0 HA HIS A 30 -0.616 -5.092 11.564 1.00 0.53 H new ATOM 0 HB2 HIS A 30 1.777 -4.539 11.182 1.00 0.67 H new ATOM 0 HB3 HIS A 30 1.656 -3.223 12.333 1.00 0.67 H new ATOM 0 HD2 HIS A 30 1.079 -7.154 12.518 1.00 1.18 H new ATOM 0 HE1 HIS A 30 2.716 -5.785 16.180 1.00 1.37 H new ATOM 0 HE2 HIS A 30 1.945 -7.827 14.878 1.00 1.41 H new ATOM 286 N ASP A 31 -0.850 -2.271 13.264 1.00 0.48 N ATOM 287 CA ASP A 31 -1.554 -1.617 14.364 1.00 0.51 C ATOM 288 C ASP A 31 -3.061 -1.685 14.132 1.00 0.45 C ATOM 289 O ASP A 31 -3.836 -2.008 15.034 1.00 0.49 O ATOM 290 CB ASP A 31 -1.100 -0.161 14.477 1.00 0.63 C ATOM 291 CG ASP A 31 -1.845 0.608 15.546 1.00 1.24 C ATOM 292 OD1 ASP A 31 -1.406 0.589 16.715 1.00 1.79 O ATOM 293 OD2 ASP A 31 -2.865 1.251 15.219 1.00 1.98 O ATOM 0 H ASP A 31 -0.272 -1.644 12.704 1.00 0.48 H new ATOM 0 HA ASP A 31 -1.320 -2.132 15.296 1.00 0.51 H new ATOM 0 HB2 ASP A 31 -0.032 -0.135 14.695 1.00 0.63 H new ATOM 0 HB3 ASP A 31 -1.241 0.334 13.516 1.00 0.63 H new ATOM 298 N GLN A 32 -3.449 -1.392 12.903 1.00 0.42 N ATOM 299 CA GLN A 32 -4.833 -1.481 12.456 1.00 0.43 C ATOM 300 C GLN A 32 -5.357 -2.913 12.577 1.00 0.38 C ATOM 301 O GLN A 32 -6.538 -3.135 12.853 1.00 0.43 O ATOM 302 CB GLN A 32 -4.893 -0.995 11.008 1.00 0.52 C ATOM 303 CG GLN A 32 -6.138 -1.390 10.241 1.00 0.57 C ATOM 304 CD GLN A 32 -6.010 -1.032 8.776 1.00 1.17 C ATOM 305 OE1 GLN A 32 -6.427 0.040 8.347 1.00 1.92 O ATOM 306 NE2 GLN A 32 -5.383 -1.912 8.008 1.00 1.31 N ATOM 0 H GLN A 32 -2.805 -1.081 12.176 1.00 0.42 H new ATOM 0 HA GLN A 32 -5.469 -0.857 13.084 1.00 0.43 H new ATOM 0 HB2 GLN A 32 -4.814 0.092 11.004 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -4.022 -1.380 10.477 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -6.308 -2.462 10.343 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -7.006 -0.888 10.667 1.00 0.57 H new ATOM 0 HE21 GLN A 32 -5.052 -2.791 8.405 1.00 1.31 H new ATOM 0 HE22 GLN A 32 -5.231 -1.710 7.020 1.00 1.31 H new ATOM 315 N LEU A 33 -4.466 -3.875 12.376 1.00 0.36 N ATOM 316 CA LEU A 33 -4.808 -5.287 12.480 1.00 0.42 C ATOM 317 C LEU A 33 -5.211 -5.613 13.911 1.00 0.46 C ATOM 318 O LEU A 33 -6.265 -6.198 14.155 1.00 0.54 O ATOM 319 CB LEU A 33 -3.607 -6.147 12.054 1.00 0.53 C ATOM 320 CG LEU A 33 -3.927 -7.504 11.416 1.00 0.80 C ATOM 321 CD1 LEU A 33 -4.566 -8.450 12.421 1.00 1.22 C ATOM 322 CD2 LEU A 33 -4.831 -7.319 10.210 1.00 0.83 C ATOM 0 H LEU A 33 -3.490 -3.700 12.137 1.00 0.36 H new ATOM 0 HA LEU A 33 -5.647 -5.506 11.819 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -3.009 -5.571 11.348 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -2.984 -6.321 12.931 1.00 0.53 H new ATOM 0 HG LEU A 33 -2.989 -7.951 11.087 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -4.781 -9.403 11.938 1.00 1.22 H new ATOM 0 HD12 LEU A 33 -3.882 -8.611 13.254 1.00 1.22 H new ATOM 0 HD13 LEU A 33 -5.494 -8.014 12.792 1.00 1.22 H new ATOM 0 HD21 LEU A 33 -5.050 -8.291 9.767 1.00 0.83 H new ATOM 0 HD22 LEU A 33 -5.761 -6.844 10.522 1.00 0.83 H new ATOM 0 HD23 LEU A 33 -4.331 -6.689 9.474 1.00 0.83 H new ATOM 334 N ARG A 34 -4.373 -5.202 14.853 1.00 0.47 N ATOM 335 CA ARG A 34 -4.627 -5.455 16.264 1.00 0.58 C ATOM 336 C ARG A 34 -5.814 -4.634 16.760 1.00 0.58 C ATOM 337 O ARG A 34 -6.477 -5.006 17.723 1.00 0.69 O ATOM 338 CB ARG A 34 -3.386 -5.133 17.095 1.00 0.69 C ATOM 339 CG ARG A 34 -2.154 -5.936 16.701 1.00 1.40 C ATOM 340 CD ARG A 34 -2.390 -7.435 16.825 1.00 1.45 C ATOM 341 NE ARG A 34 -2.783 -7.820 18.180 1.00 2.17 N ATOM 342 CZ ARG A 34 -3.060 -9.068 18.552 1.00 2.52 C ATOM 343 NH1 ARG A 34 -2.954 -10.067 17.684 1.00 2.19 N ATOM 344 NH2 ARG A 34 -3.438 -9.317 19.797 1.00 3.49 N ATOM 0 H ARG A 34 -3.510 -4.691 14.665 1.00 0.47 H new ATOM 0 HA ARG A 34 -4.866 -6.512 16.379 1.00 0.58 H new ATOM 0 HB2 ARG A 34 -3.161 -4.071 16.998 1.00 0.69 H new ATOM 0 HB3 ARG A 34 -3.607 -5.317 18.146 1.00 0.69 H new ATOM 0 HG2 ARG A 34 -1.877 -5.696 15.675 1.00 1.40 H new ATOM 0 HG3 ARG A 34 -1.315 -5.647 17.334 1.00 1.40 H new ATOM 0 HD2 ARG A 34 -3.166 -7.739 16.123 1.00 1.45 H new ATOM 0 HD3 ARG A 34 -1.482 -7.969 16.546 1.00 1.45 H new ATOM 0 HE ARG A 34 -2.849 -7.086 18.885 1.00 2.17 H new ATOM 0 HH11 ARG A 34 -2.659 -9.881 16.726 1.00 2.19 H new ATOM 0 HH12 ARG A 34 -3.168 -11.021 17.976 1.00 2.19 H new ATOM 0 HH21 ARG A 34 -3.516 -8.553 20.469 1.00 3.49 H new ATOM 0 HH22 ARG A 34 -3.651 -10.272 20.084 1.00 3.49 H new ATOM 358 N HIS A 35 -6.078 -3.516 16.095 1.00 0.53 N ATOM 359 CA HIS A 35 -7.216 -2.674 16.445 1.00 0.58 C ATOM 360 C HIS A 35 -8.504 -3.183 15.805 1.00 0.58 C ATOM 361 O HIS A 35 -9.582 -2.639 16.034 1.00 0.74 O ATOM 362 CB HIS A 35 -6.972 -1.217 16.040 1.00 0.59 C ATOM 363 CG HIS A 35 -6.154 -0.447 17.031 1.00 1.15 C ATOM 364 ND1 HIS A 35 -5.060 0.318 16.686 1.00 1.98 N ATOM 365 CD2 HIS A 35 -6.298 -0.307 18.370 1.00 1.61 C ATOM 366 CE1 HIS A 35 -4.570 0.893 17.768 1.00 2.68 C ATOM 367 NE2 HIS A 35 -5.301 0.530 18.800 1.00 2.42 N ATOM 0 H HIS A 35 -5.522 -3.172 15.313 1.00 0.53 H new ATOM 0 HA HIS A 35 -7.328 -2.721 17.528 1.00 0.58 H new ATOM 0 HB2 HIS A 35 -6.469 -1.197 15.073 1.00 0.59 H new ATOM 0 HB3 HIS A 35 -7.933 -0.719 15.910 1.00 0.59 H new ATOM 0 HD1 HIS A 35 -4.688 0.423 15.742 1.00 1.98 H new ATOM 0 HD2 HIS A 35 -7.057 -0.769 18.985 1.00 1.61 H new ATOM 0 HE1 HIS A 35 -3.714 1.550 17.801 1.00 2.68 H new ATOM 376 N GLY A 36 -8.377 -4.236 15.001 1.00 0.49 N ATOM 377 CA GLY A 36 -9.530 -4.843 14.366 1.00 0.51 C ATOM 378 C GLY A 36 -10.233 -3.905 13.407 1.00 0.47 C ATOM 379 O GLY A 36 -11.461 -3.869 13.360 1.00 0.53 O ATOM 0 H GLY A 36 -7.487 -4.681 14.778 1.00 0.49 H new ATOM 0 HA2 GLY A 36 -9.214 -5.736 13.827 1.00 0.51 H new ATOM 0 HA3 GLY A 36 -10.234 -5.166 15.133 1.00 0.51 H new ATOM 383 N GLY A 37 -9.452 -3.136 12.655 1.00 0.41 N ATOM 384 CA GLY A 37 -10.022 -2.203 11.699 1.00 0.40 C ATOM 385 C GLY A 37 -10.827 -2.901 10.623 1.00 0.39 C ATOM 386 O GLY A 37 -11.950 -2.499 10.311 1.00 0.52 O ATOM 0 H GLY A 37 -8.433 -3.142 12.690 1.00 0.41 H new ATOM 0 HA2 GLY A 37 -10.661 -1.493 12.224 1.00 0.40 H new ATOM 0 HA3 GLY A 37 -9.221 -1.628 11.235 1.00 0.40 H new ATOM 390 N LEU A 38 -10.255 -3.955 10.064 1.00 0.36 N ATOM 391 CA LEU A 38 -10.923 -4.737 9.034 1.00 0.41 C ATOM 392 C LEU A 38 -11.669 -5.912 9.662 1.00 0.49 C ATOM 393 O LEU A 38 -11.606 -6.113 10.877 1.00 0.83 O ATOM 394 CB LEU A 38 -9.910 -5.250 7.998 1.00 0.44 C ATOM 395 CG LEU A 38 -9.365 -4.215 6.998 1.00 0.44 C ATOM 396 CD1 LEU A 38 -10.490 -3.599 6.186 1.00 0.51 C ATOM 397 CD2 LEU A 38 -8.569 -3.133 7.702 1.00 0.47 C ATOM 0 H LEU A 38 -9.323 -4.291 10.308 1.00 0.36 H new ATOM 0 HA LEU A 38 -11.640 -4.092 8.527 1.00 0.41 H new ATOM 0 HB2 LEU A 38 -9.066 -5.685 8.533 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -10.378 -6.056 7.433 1.00 0.44 H new ATOM 0 HG LEU A 38 -8.695 -4.740 6.317 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -10.078 -2.871 5.487 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -11.009 -4.381 5.632 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -11.192 -3.102 6.855 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -8.198 -2.418 6.968 1.00 0.47 H new ATOM 0 HD22 LEU A 38 -9.209 -2.618 8.418 1.00 0.47 H new ATOM 0 HD23 LEU A 38 -7.727 -3.584 8.227 1.00 0.47 H new ATOM 409 N SER A 39 -12.376 -6.677 8.841 1.00 0.47 N ATOM 410 CA SER A 39 -13.099 -7.849 9.321 1.00 0.54 C ATOM 411 C SER A 39 -12.123 -8.997 9.592 1.00 0.48 C ATOM 412 O SER A 39 -10.941 -8.887 9.273 1.00 0.46 O ATOM 413 CB SER A 39 -14.159 -8.266 8.296 1.00 0.67 C ATOM 414 OG SER A 39 -15.021 -9.267 8.813 1.00 1.42 O ATOM 0 H SER A 39 -12.465 -6.508 7.839 1.00 0.47 H new ATOM 0 HA SER A 39 -13.602 -7.600 10.256 1.00 0.54 H new ATOM 0 HB2 SER A 39 -14.746 -7.395 8.004 1.00 0.67 H new ATOM 0 HB3 SER A 39 -13.669 -8.637 7.396 1.00 0.67 H new ATOM 0 HG SER A 39 -15.686 -9.509 8.135 1.00 1.42 H new ATOM 420 N SER A 40 -12.617 -10.096 10.158 1.00 0.60 N ATOM 421 CA SER A 40 -11.757 -11.198 10.589 1.00 0.61 C ATOM 422 C SER A 40 -10.936 -11.760 9.426 1.00 0.53 C ATOM 423 O SER A 40 -9.709 -11.852 9.515 1.00 0.50 O ATOM 424 CB SER A 40 -12.597 -12.308 11.225 1.00 0.77 C ATOM 425 OG SER A 40 -11.773 -13.310 11.800 1.00 1.63 O ATOM 0 H SER A 40 -13.611 -10.248 10.330 1.00 0.60 H new ATOM 0 HA SER A 40 -11.061 -10.805 11.330 1.00 0.61 H new ATOM 0 HB2 SER A 40 -13.246 -11.883 11.991 1.00 0.77 H new ATOM 0 HB3 SER A 40 -13.245 -12.755 10.471 1.00 0.77 H new ATOM 0 HG SER A 40 -12.335 -14.006 12.201 1.00 1.63 H new ATOM 431 N ASP A 41 -11.613 -12.120 8.341 1.00 0.57 N ATOM 432 CA ASP A 41 -10.945 -12.688 7.170 1.00 0.58 C ATOM 433 C ASP A 41 -10.005 -11.666 6.545 1.00 0.53 C ATOM 434 O ASP A 41 -8.899 -11.996 6.117 1.00 0.56 O ATOM 435 CB ASP A 41 -11.974 -13.150 6.137 1.00 0.71 C ATOM 436 CG ASP A 41 -11.329 -13.735 4.896 1.00 1.25 C ATOM 437 OD1 ASP A 41 -10.882 -14.902 4.945 1.00 1.69 O ATOM 438 OD2 ASP A 41 -11.267 -13.034 3.862 1.00 2.20 O ATOM 0 H ASP A 41 -12.624 -12.029 8.246 1.00 0.57 H new ATOM 0 HA ASP A 41 -10.362 -13.550 7.495 1.00 0.58 H new ATOM 0 HB2 ASP A 41 -12.628 -13.896 6.589 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -12.602 -12.306 5.852 1.00 0.71 H new ATOM 443 N ALA A 42 -10.455 -10.421 6.512 1.00 0.51 N ATOM 444 CA ALA A 42 -9.659 -9.330 5.975 1.00 0.51 C ATOM 445 C ALA A 42 -8.405 -9.109 6.817 1.00 0.47 C ATOM 446 O ALA A 42 -7.338 -8.807 6.285 1.00 0.52 O ATOM 447 CB ALA A 42 -10.494 -8.065 5.921 1.00 0.54 C ATOM 0 H ALA A 42 -11.374 -10.141 6.854 1.00 0.51 H new ATOM 0 HA ALA A 42 -9.343 -9.590 4.965 1.00 0.51 H new ATOM 0 HB1 ALA A 42 -9.893 -7.250 5.518 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -11.361 -8.228 5.281 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -10.829 -7.807 6.926 1.00 0.54 H new ATOM 453 N GLN A 43 -8.552 -9.259 8.127 1.00 0.44 N ATOM 454 CA GLN A 43 -7.432 -9.174 9.054 1.00 0.45 C ATOM 455 C GLN A 43 -6.359 -10.190 8.697 1.00 0.45 C ATOM 456 O GLN A 43 -5.211 -9.836 8.429 1.00 0.48 O ATOM 457 CB GLN A 43 -7.911 -9.422 10.481 1.00 0.49 C ATOM 458 CG GLN A 43 -8.454 -8.187 11.173 1.00 0.82 C ATOM 459 CD GLN A 43 -9.118 -8.517 12.491 1.00 0.85 C ATOM 460 OE1 GLN A 43 -10.331 -8.708 12.566 1.00 1.56 O ATOM 461 NE2 GLN A 43 -8.315 -8.634 13.528 1.00 1.12 N ATOM 0 H GLN A 43 -9.449 -9.443 8.576 1.00 0.44 H new ATOM 0 HA GLN A 43 -7.007 -8.173 8.982 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -8.687 -10.188 10.465 1.00 0.49 H new ATOM 0 HB3 GLN A 43 -7.083 -9.820 11.067 1.00 0.49 H new ATOM 0 HG2 GLN A 43 -7.641 -7.481 11.344 1.00 0.82 H new ATOM 0 HG3 GLN A 43 -9.173 -7.693 10.520 1.00 0.82 H new ATOM 0 HE21 GLN A 43 -7.315 -8.466 13.420 1.00 1.12 H new ATOM 0 HE22 GLN A 43 -8.693 -8.893 14.439 1.00 1.12 H new ATOM 470 N GLU A 44 -6.751 -11.453 8.716 1.00 0.49 N ATOM 471 CA GLU A 44 -5.884 -12.550 8.290 1.00 0.54 C ATOM 472 C GLU A 44 -5.204 -12.226 6.959 1.00 0.51 C ATOM 473 O GLU A 44 -4.000 -12.432 6.795 1.00 0.50 O ATOM 474 CB GLU A 44 -6.700 -13.836 8.140 1.00 0.68 C ATOM 475 CG GLU A 44 -7.473 -14.226 9.390 1.00 1.20 C ATOM 476 CD GLU A 44 -6.570 -14.451 10.583 1.00 1.65 C ATOM 477 OE1 GLU A 44 -5.918 -15.513 10.643 1.00 2.36 O ATOM 478 OE2 GLU A 44 -6.504 -13.567 11.460 1.00 2.20 O ATOM 0 H GLU A 44 -7.676 -11.751 9.026 1.00 0.49 H new ATOM 0 HA GLU A 44 -5.117 -12.687 9.052 1.00 0.54 H new ATOM 0 HB2 GLU A 44 -7.401 -13.715 7.314 1.00 0.68 H new ATOM 0 HB3 GLU A 44 -6.028 -14.651 7.871 1.00 0.68 H new ATOM 0 HG2 GLU A 44 -8.194 -13.443 9.626 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -8.042 -15.134 9.193 1.00 1.20 H new ATOM 485 N SER A 45 -5.984 -11.696 6.026 1.00 0.54 N ATOM 486 CA SER A 45 -5.491 -11.367 4.697 1.00 0.59 C ATOM 487 C SER A 45 -4.434 -10.257 4.755 1.00 0.55 C ATOM 488 O SER A 45 -3.489 -10.253 3.961 1.00 0.58 O ATOM 489 CB SER A 45 -6.659 -10.951 3.797 1.00 0.71 C ATOM 490 OG SER A 45 -6.270 -10.892 2.434 1.00 1.04 O ATOM 0 H SER A 45 -6.971 -11.483 6.169 1.00 0.54 H new ATOM 0 HA SER A 45 -5.016 -12.254 4.278 1.00 0.59 H new ATOM 0 HB2 SER A 45 -7.479 -11.660 3.912 1.00 0.71 H new ATOM 0 HB3 SER A 45 -7.033 -9.977 4.112 1.00 0.71 H new ATOM 0 HG SER A 45 -6.407 -9.983 2.094 1.00 1.04 H new ATOM 496 N LEU A 46 -4.583 -9.324 5.698 1.00 0.56 N ATOM 497 CA LEU A 46 -3.615 -8.239 5.848 1.00 0.60 C ATOM 498 C LEU A 46 -2.255 -8.789 6.231 1.00 0.50 C ATOM 499 O LEU A 46 -1.251 -8.406 5.648 1.00 0.48 O ATOM 500 CB LEU A 46 -4.047 -7.213 6.904 1.00 0.74 C ATOM 501 CG LEU A 46 -5.301 -6.403 6.583 1.00 0.75 C ATOM 502 CD1 LEU A 46 -5.469 -5.255 7.565 1.00 1.28 C ATOM 503 CD2 LEU A 46 -5.253 -5.873 5.158 1.00 1.14 C ATOM 0 H LEU A 46 -5.357 -9.299 6.362 1.00 0.56 H new ATOM 0 HA LEU A 46 -3.561 -7.736 4.882 1.00 0.60 H new ATOM 0 HB2 LEU A 46 -4.210 -7.738 7.845 1.00 0.74 H new ATOM 0 HB3 LEU A 46 -3.222 -6.519 7.065 1.00 0.74 H new ATOM 0 HG LEU A 46 -6.161 -7.067 6.676 1.00 0.75 H new ATOM 0 HD11 LEU A 46 -6.369 -4.692 7.316 1.00 1.28 H new ATOM 0 HD12 LEU A 46 -5.557 -5.651 8.577 1.00 1.28 H new ATOM 0 HD13 LEU A 46 -4.602 -4.597 7.507 1.00 1.28 H new ATOM 0 HD21 LEU A 46 -6.157 -5.299 4.953 1.00 1.14 H new ATOM 0 HD22 LEU A 46 -4.380 -5.231 5.038 1.00 1.14 H new ATOM 0 HD23 LEU A 46 -5.187 -6.709 4.461 1.00 1.14 H new ATOM 515 N GLU A 47 -2.230 -9.697 7.200 1.00 0.49 N ATOM 516 CA GLU A 47 -0.975 -10.256 7.687 1.00 0.48 C ATOM 517 C GLU A 47 -0.243 -10.990 6.566 1.00 0.43 C ATOM 518 O GLU A 47 0.983 -10.910 6.452 1.00 0.45 O ATOM 519 CB GLU A 47 -1.223 -11.197 8.866 1.00 0.55 C ATOM 520 CG GLU A 47 0.056 -11.685 9.525 1.00 0.81 C ATOM 521 CD GLU A 47 -0.202 -12.595 10.703 1.00 1.06 C ATOM 522 OE1 GLU A 47 -0.310 -13.823 10.497 1.00 1.76 O ATOM 523 OE2 GLU A 47 -0.291 -12.089 11.841 1.00 1.51 O ATOM 0 H GLU A 47 -3.063 -10.061 7.663 1.00 0.49 H new ATOM 0 HA GLU A 47 -0.347 -9.433 8.030 1.00 0.48 H new ATOM 0 HB2 GLU A 47 -1.833 -10.684 9.609 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -1.797 -12.057 8.521 1.00 0.55 H new ATOM 0 HG2 GLU A 47 0.660 -12.215 8.788 1.00 0.81 H new ATOM 0 HG3 GLU A 47 0.639 -10.826 9.856 1.00 0.81 H new ATOM 530 N VAL A 48 -1.002 -11.690 5.732 1.00 0.41 N ATOM 531 CA VAL A 48 -0.436 -12.370 4.575 1.00 0.42 C ATOM 532 C VAL A 48 0.150 -11.349 3.602 1.00 0.41 C ATOM 533 O VAL A 48 1.292 -11.482 3.158 1.00 0.43 O ATOM 534 CB VAL A 48 -1.492 -13.227 3.842 1.00 0.46 C ATOM 535 CG1 VAL A 48 -0.868 -13.975 2.673 1.00 0.49 C ATOM 536 CG2 VAL A 48 -2.150 -14.204 4.800 1.00 0.49 C ATOM 0 H VAL A 48 -2.011 -11.801 5.836 1.00 0.41 H new ATOM 0 HA VAL A 48 0.350 -13.033 4.937 1.00 0.42 H new ATOM 0 HB VAL A 48 -2.256 -12.555 3.452 1.00 0.46 H new ATOM 0 HG11 VAL A 48 -1.632 -14.571 2.173 1.00 0.49 H new ATOM 0 HG12 VAL A 48 -0.446 -13.260 1.967 1.00 0.49 H new ATOM 0 HG13 VAL A 48 -0.079 -14.631 3.040 1.00 0.49 H new ATOM 0 HG21 VAL A 48 -2.890 -14.797 4.263 1.00 0.49 H new ATOM 0 HG22 VAL A 48 -1.393 -14.864 5.223 1.00 0.49 H new ATOM 0 HG23 VAL A 48 -2.640 -13.653 5.603 1.00 0.49 H new ATOM 546 N ALA A 49 -0.634 -10.319 3.298 1.00 0.41 N ATOM 547 CA ALA A 49 -0.201 -9.259 2.394 1.00 0.43 C ATOM 548 C ALA A 49 1.017 -8.529 2.949 1.00 0.43 C ATOM 549 O ALA A 49 1.926 -8.177 2.204 1.00 0.48 O ATOM 550 CB ALA A 49 -1.334 -8.276 2.150 1.00 0.44 C ATOM 0 H ALA A 49 -1.577 -10.196 3.667 1.00 0.41 H new ATOM 0 HA ALA A 49 0.079 -9.719 1.446 1.00 0.43 H new ATOM 0 HB1 ALA A 49 -0.995 -7.491 1.474 1.00 0.44 H new ATOM 0 HB2 ALA A 49 -2.180 -8.799 1.704 1.00 0.44 H new ATOM 0 HB3 ALA A 49 -1.640 -7.832 3.097 1.00 0.44 H new ATOM 556 N ILE A 50 1.023 -8.318 4.260 1.00 0.40 N ATOM 557 CA ILE A 50 2.121 -7.647 4.945 1.00 0.40 C ATOM 558 C ILE A 50 3.452 -8.334 4.655 1.00 0.38 C ATOM 559 O ILE A 50 4.400 -7.695 4.201 1.00 0.41 O ATOM 560 CB ILE A 50 1.871 -7.597 6.474 1.00 0.43 C ATOM 561 CG1 ILE A 50 0.840 -6.513 6.813 1.00 0.53 C ATOM 562 CG2 ILE A 50 3.169 -7.362 7.237 1.00 0.47 C ATOM 563 CD1 ILE A 50 0.445 -6.472 8.277 1.00 0.61 C ATOM 0 H ILE A 50 0.266 -8.608 4.879 1.00 0.40 H new ATOM 0 HA ILE A 50 2.170 -6.626 4.566 1.00 0.40 H new ATOM 0 HB ILE A 50 1.473 -8.564 6.783 1.00 0.43 H new ATOM 0 HG12 ILE A 50 1.243 -5.541 6.529 1.00 0.53 H new ATOM 0 HG13 ILE A 50 -0.054 -6.675 6.211 1.00 0.53 H new ATOM 0 HG21 ILE A 50 2.962 -7.332 8.307 1.00 0.47 H new ATOM 0 HG22 ILE A 50 3.867 -8.172 7.025 1.00 0.47 H new ATOM 0 HG23 ILE A 50 3.608 -6.414 6.925 1.00 0.47 H new ATOM 0 HD11 ILE A 50 -0.287 -5.679 8.434 1.00 0.61 H new ATOM 0 HD12 ILE A 50 0.010 -7.430 8.563 1.00 0.61 H new ATOM 0 HD13 ILE A 50 1.327 -6.278 8.887 1.00 0.61 H new ATOM 575 N GLN A 51 3.510 -9.639 4.892 1.00 0.39 N ATOM 576 CA GLN A 51 4.735 -10.398 4.667 1.00 0.43 C ATOM 577 C GLN A 51 5.108 -10.414 3.189 1.00 0.43 C ATOM 578 O GLN A 51 6.289 -10.399 2.835 1.00 0.47 O ATOM 579 CB GLN A 51 4.588 -11.825 5.196 1.00 0.50 C ATOM 580 CG GLN A 51 4.494 -11.900 6.711 1.00 0.78 C ATOM 581 CD GLN A 51 5.730 -11.347 7.398 1.00 1.02 C ATOM 582 OE1 GLN A 51 5.716 -10.057 7.697 1.00 1.84 O flip ATOM 583 NE2 GLN A 51 6.687 -12.073 7.662 1.00 1.35 N flip ATOM 0 H GLN A 51 2.726 -10.192 5.239 1.00 0.39 H new ATOM 0 HA GLN A 51 5.539 -9.905 5.213 1.00 0.43 H new ATOM 0 HB2 GLN A 51 3.696 -12.276 4.761 1.00 0.50 H new ATOM 0 HB3 GLN A 51 5.440 -12.418 4.862 1.00 0.50 H new ATOM 0 HG2 GLN A 51 3.617 -11.345 7.045 1.00 0.78 H new ATOM 0 HG3 GLN A 51 4.348 -12.937 7.012 1.00 0.78 H new ATOM 0 HE21 GLN A 51 6.660 -13.062 7.415 1.00 1.35 H new ATOM 0 HE22 GLN A 51 7.508 -11.686 8.128 1.00 1.35 H new ATOM 592 N CYS A 52 4.101 -10.426 2.328 1.00 0.45 N ATOM 593 CA CYS A 52 4.334 -10.409 0.892 1.00 0.53 C ATOM 594 C CYS A 52 4.927 -9.068 0.456 1.00 0.53 C ATOM 595 O CYS A 52 5.920 -9.032 -0.265 1.00 0.60 O ATOM 596 CB CYS A 52 3.035 -10.694 0.139 1.00 0.59 C ATOM 597 SG CYS A 52 2.309 -12.306 0.519 1.00 0.69 S ATOM 0 H CYS A 52 3.118 -10.447 2.598 1.00 0.45 H new ATOM 0 HA CYS A 52 5.053 -11.192 0.650 1.00 0.53 H new ATOM 0 HB2 CYS A 52 2.310 -9.915 0.376 1.00 0.59 H new ATOM 0 HB3 CYS A 52 3.227 -10.636 -0.932 1.00 0.59 H new ATOM 0 HG CYS A 52 1.660 -12.236 1.643 1.00 0.69 H new ATOM 603 N LEU A 53 4.330 -7.972 0.917 1.00 0.50 N ATOM 604 CA LEU A 53 4.824 -6.633 0.599 1.00 0.54 C ATOM 605 C LEU A 53 6.219 -6.429 1.174 1.00 0.51 C ATOM 606 O LEU A 53 7.099 -5.870 0.516 1.00 0.58 O ATOM 607 CB LEU A 53 3.881 -5.563 1.156 1.00 0.63 C ATOM 608 CG LEU A 53 2.482 -5.527 0.536 1.00 0.54 C ATOM 609 CD1 LEU A 53 1.598 -4.545 1.288 1.00 0.76 C ATOM 610 CD2 LEU A 53 2.559 -5.151 -0.937 1.00 0.61 C ATOM 0 H LEU A 53 3.502 -7.984 1.513 1.00 0.50 H new ATOM 0 HA LEU A 53 4.866 -6.539 -0.486 1.00 0.54 H new ATOM 0 HB2 LEU A 53 3.779 -5.718 2.230 1.00 0.63 H new ATOM 0 HB3 LEU A 53 4.346 -4.587 1.017 1.00 0.63 H new ATOM 0 HG LEU A 53 2.044 -6.522 0.614 1.00 0.54 H new ATOM 0 HD11 LEU A 53 0.606 -4.529 0.837 1.00 0.76 H new ATOM 0 HD12 LEU A 53 1.518 -4.853 2.331 1.00 0.76 H new ATOM 0 HD13 LEU A 53 2.036 -3.548 1.237 1.00 0.76 H new ATOM 0 HD21 LEU A 53 1.555 -5.131 -1.360 1.00 0.61 H new ATOM 0 HD22 LEU A 53 3.015 -4.166 -1.038 1.00 0.61 H new ATOM 0 HD23 LEU A 53 3.162 -5.887 -1.469 1.00 0.61 H new ATOM 622 N GLU A 54 6.407 -6.898 2.404 1.00 0.47 N ATOM 623 CA GLU A 54 7.683 -6.785 3.095 1.00 0.51 C ATOM 624 C GLU A 54 8.792 -7.439 2.275 1.00 0.56 C ATOM 625 O GLU A 54 9.813 -6.818 1.975 1.00 0.65 O ATOM 626 CB GLU A 54 7.581 -7.441 4.477 1.00 0.56 C ATOM 627 CG GLU A 54 8.722 -7.087 5.414 1.00 0.73 C ATOM 628 CD GLU A 54 8.577 -7.715 6.784 1.00 1.05 C ATOM 629 OE1 GLU A 54 7.807 -7.188 7.607 1.00 1.62 O ATOM 630 OE2 GLU A 54 9.247 -8.737 7.046 1.00 1.65 O ATOM 0 H GLU A 54 5.680 -7.365 2.946 1.00 0.47 H new ATOM 0 HA GLU A 54 7.928 -5.730 3.220 1.00 0.51 H new ATOM 0 HB2 GLU A 54 6.639 -7.145 4.940 1.00 0.56 H new ATOM 0 HB3 GLU A 54 7.549 -8.523 4.353 1.00 0.56 H new ATOM 0 HG2 GLU A 54 9.664 -7.410 4.970 1.00 0.73 H new ATOM 0 HG3 GLU A 54 8.775 -6.004 5.520 1.00 0.73 H new ATOM 637 N THR A 55 8.561 -8.685 1.884 1.00 0.61 N ATOM 638 CA THR A 55 9.535 -9.441 1.110 1.00 0.78 C ATOM 639 C THR A 55 9.694 -8.862 -0.298 1.00 0.83 C ATOM 640 O THR A 55 10.786 -8.861 -0.864 1.00 0.98 O ATOM 641 CB THR A 55 9.115 -10.920 1.009 1.00 0.95 C ATOM 642 OG1 THR A 55 8.721 -11.404 2.301 1.00 1.00 O ATOM 643 CG2 THR A 55 10.253 -11.775 0.474 1.00 1.16 C ATOM 0 H THR A 55 7.703 -9.195 2.092 1.00 0.61 H new ATOM 0 HA THR A 55 10.491 -9.370 1.628 1.00 0.78 H new ATOM 0 HB THR A 55 8.275 -10.988 0.318 1.00 0.95 H new ATOM 0 HG1 THR A 55 7.767 -11.229 2.439 1.00 1.00 H new ATOM 0 HG21 THR A 55 9.930 -12.814 0.413 1.00 1.16 H new ATOM 0 HG22 THR A 55 10.536 -11.424 -0.518 1.00 1.16 H new ATOM 0 HG23 THR A 55 11.110 -11.700 1.144 1.00 1.16 H new ATOM 651 N ALA A 56 8.597 -8.351 -0.845 1.00 0.77 N ATOM 652 CA ALA A 56 8.587 -7.819 -2.202 1.00 0.88 C ATOM 653 C ALA A 56 9.486 -6.596 -2.337 1.00 0.88 C ATOM 654 O ALA A 56 10.392 -6.570 -3.165 1.00 1.15 O ATOM 655 CB ALA A 56 7.171 -7.472 -2.619 1.00 0.90 C ATOM 0 H ALA A 56 7.698 -8.294 -0.366 1.00 0.77 H new ATOM 0 HA ALA A 56 8.979 -8.594 -2.861 1.00 0.88 H new ATOM 0 HB1 ALA A 56 7.178 -7.076 -3.634 1.00 0.90 H new ATOM 0 HB2 ALA A 56 6.551 -8.368 -2.583 1.00 0.90 H new ATOM 0 HB3 ALA A 56 6.765 -6.723 -1.940 1.00 0.90 H new ATOM 661 N PHE A 57 9.244 -5.589 -1.509 1.00 0.76 N ATOM 662 CA PHE A 57 10.001 -4.351 -1.576 1.00 1.05 C ATOM 663 C PHE A 57 11.380 -4.506 -0.938 1.00 1.56 C ATOM 664 O PHE A 57 12.199 -3.586 -0.974 1.00 2.05 O ATOM 665 CB PHE A 57 9.226 -3.234 -0.886 1.00 1.04 C ATOM 666 CG PHE A 57 8.025 -2.754 -1.653 1.00 0.93 C ATOM 667 CD1 PHE A 57 6.787 -3.358 -1.487 1.00 1.50 C ATOM 668 CD2 PHE A 57 8.131 -1.687 -2.528 1.00 1.47 C ATOM 669 CE1 PHE A 57 5.682 -2.905 -2.182 1.00 1.50 C ATOM 670 CE2 PHE A 57 7.028 -1.229 -3.223 1.00 1.46 C ATOM 671 CZ PHE A 57 5.803 -1.838 -3.049 1.00 0.92 C ATOM 0 H PHE A 57 8.528 -5.607 -0.783 1.00 0.76 H new ATOM 0 HA PHE A 57 10.146 -4.098 -2.626 1.00 1.05 H new ATOM 0 HB2 PHE A 57 8.902 -3.584 0.094 1.00 1.04 H new ATOM 0 HB3 PHE A 57 9.897 -2.391 -0.718 1.00 1.04 H new ATOM 0 HD1 PHE A 57 6.686 -4.191 -0.807 1.00 1.50 H new ATOM 0 HD2 PHE A 57 9.088 -1.206 -2.669 1.00 1.47 H new ATOM 0 HE1 PHE A 57 4.724 -3.386 -2.047 1.00 1.50 H new ATOM 0 HE2 PHE A 57 7.125 -0.395 -3.902 1.00 1.46 H new ATOM 0 HZ PHE A 57 4.940 -1.481 -3.590 1.00 0.92 H new ATOM 681 N GLY A 58 11.626 -5.669 -0.350 1.00 1.71 N ATOM 682 CA GLY A 58 12.909 -5.938 0.266 1.00 2.29 C ATOM 683 C GLY A 58 13.078 -5.200 1.575 1.00 2.05 C ATOM 684 O GLY A 58 14.198 -4.943 2.014 1.00 2.60 O ATOM 0 H GLY A 58 10.955 -6.435 -0.289 1.00 1.71 H new ATOM 0 HA2 GLY A 58 13.010 -7.009 0.439 1.00 2.29 H new ATOM 0 HA3 GLY A 58 13.707 -5.649 -0.418 1.00 2.29 H new ATOM 688 N VAL A 59 11.961 -4.867 2.200 1.00 1.35 N ATOM 689 CA VAL A 59 11.976 -4.110 3.440 1.00 1.13 C ATOM 690 C VAL A 59 11.826 -5.034 4.634 1.00 1.04 C ATOM 691 O VAL A 59 11.375 -6.167 4.494 1.00 1.22 O ATOM 692 CB VAL A 59 10.861 -3.041 3.472 1.00 0.93 C ATOM 693 CG1 VAL A 59 11.143 -1.954 2.455 1.00 1.23 C ATOM 694 CG2 VAL A 59 9.497 -3.658 3.212 1.00 1.00 C ATOM 0 H VAL A 59 11.028 -5.111 1.867 1.00 1.35 H new ATOM 0 HA VAL A 59 12.939 -3.602 3.493 1.00 1.13 H new ATOM 0 HB VAL A 59 10.849 -2.601 4.469 1.00 0.93 H new ATOM 0 HG11 VAL A 59 10.349 -1.208 2.490 1.00 1.23 H new ATOM 0 HG12 VAL A 59 12.097 -1.479 2.685 1.00 1.23 H new ATOM 0 HG13 VAL A 59 11.187 -2.391 1.458 1.00 1.23 H new ATOM 0 HG21 VAL A 59 8.734 -2.880 3.241 1.00 1.00 H new ATOM 0 HG22 VAL A 59 9.494 -4.133 2.231 1.00 1.00 H new ATOM 0 HG23 VAL A 59 9.283 -4.404 3.977 1.00 1.00 H new ATOM 704 N THR A 60 12.235 -4.557 5.794 1.00 1.18 N ATOM 705 CA THR A 60 12.083 -5.302 7.031 1.00 1.30 C ATOM 706 C THR A 60 11.704 -4.361 8.167 1.00 1.16 C ATOM 707 O THR A 60 11.403 -3.189 7.928 1.00 1.15 O ATOM 708 CB THR A 60 13.380 -6.050 7.405 1.00 1.94 C ATOM 709 OG1 THR A 60 14.480 -5.133 7.419 1.00 2.24 O ATOM 710 CG2 THR A 60 13.668 -7.185 6.433 1.00 2.38 C ATOM 0 H THR A 60 12.680 -3.646 5.906 1.00 1.18 H new ATOM 0 HA THR A 60 11.292 -6.036 6.876 1.00 1.30 H new ATOM 0 HB THR A 60 13.247 -6.482 8.397 1.00 1.94 H new ATOM 0 HG1 THR A 60 15.301 -5.611 7.658 1.00 2.24 H new ATOM 0 HG21 THR A 60 14.588 -7.690 6.726 1.00 2.38 H new ATOM 0 HG22 THR A 60 12.842 -7.896 6.449 1.00 2.38 H new ATOM 0 HG23 THR A 60 13.780 -6.782 5.426 1.00 2.38 H new ATOM 718 N VAL A 61 11.729 -4.858 9.395 1.00 1.41 N ATOM 719 CA VAL A 61 11.476 -4.018 10.559 1.00 1.59 C ATOM 720 C VAL A 61 12.567 -2.944 10.702 1.00 1.83 C ATOM 721 O VAL A 61 12.362 -1.903 11.331 1.00 2.11 O ATOM 722 CB VAL A 61 11.368 -4.871 11.846 1.00 1.81 C ATOM 723 CG1 VAL A 61 12.674 -5.598 12.133 1.00 2.21 C ATOM 724 CG2 VAL A 61 10.945 -4.020 13.037 1.00 1.95 C ATOM 0 H VAL A 61 11.921 -5.836 9.612 1.00 1.41 H new ATOM 0 HA VAL A 61 10.521 -3.514 10.411 1.00 1.59 H new ATOM 0 HB VAL A 61 10.595 -5.622 11.681 1.00 1.81 H new ATOM 0 HG11 VAL A 61 12.569 -6.189 13.043 1.00 2.21 H new ATOM 0 HG12 VAL A 61 12.915 -6.256 11.298 1.00 2.21 H new ATOM 0 HG13 VAL A 61 13.475 -4.870 12.264 1.00 2.21 H new ATOM 0 HG21 VAL A 61 10.878 -4.647 13.926 1.00 1.95 H new ATOM 0 HG22 VAL A 61 11.681 -3.234 13.202 1.00 1.95 H new ATOM 0 HG23 VAL A 61 9.973 -3.570 12.836 1.00 1.95 H new ATOM 734 N GLU A 62 13.717 -3.184 10.077 1.00 1.89 N ATOM 735 CA GLU A 62 14.799 -2.205 10.059 1.00 2.16 C ATOM 736 C GLU A 62 14.354 -0.943 9.321 1.00 1.64 C ATOM 737 O GLU A 62 14.678 0.182 9.714 1.00 1.65 O ATOM 738 CB GLU A 62 16.038 -2.798 9.387 1.00 2.87 C ATOM 739 CG GLU A 62 16.601 -4.014 10.107 1.00 3.13 C ATOM 740 CD GLU A 62 17.012 -3.709 11.531 1.00 3.57 C ATOM 741 OE1 GLU A 62 17.971 -2.932 11.726 1.00 4.01 O ATOM 742 OE2 GLU A 62 16.369 -4.228 12.466 1.00 3.98 O ATOM 0 H GLU A 62 13.923 -4.048 9.576 1.00 1.89 H new ATOM 0 HA GLU A 62 15.050 -1.942 11.087 1.00 2.16 H new ATOM 0 HB2 GLU A 62 15.787 -3.077 8.364 1.00 2.87 H new ATOM 0 HB3 GLU A 62 16.811 -2.031 9.328 1.00 2.87 H new ATOM 0 HG2 GLU A 62 15.854 -4.808 10.111 1.00 3.13 H new ATOM 0 HG3 GLU A 62 17.463 -4.390 9.557 1.00 3.13 H new ATOM 749 N ASP A 63 13.583 -1.139 8.262 1.00 1.38 N ATOM 750 CA ASP A 63 13.045 -0.028 7.496 1.00 1.61 C ATOM 751 C ASP A 63 12.015 0.726 8.323 1.00 1.60 C ATOM 752 O ASP A 63 11.738 1.896 8.078 1.00 1.95 O ATOM 753 CB ASP A 63 12.420 -0.523 6.192 1.00 1.89 C ATOM 754 CG ASP A 63 13.440 -1.149 5.262 1.00 2.88 C ATOM 755 OD1 ASP A 63 13.722 -2.354 5.410 1.00 3.62 O ATOM 756 OD2 ASP A 63 13.962 -0.443 4.374 1.00 3.35 O ATOM 0 H ASP A 63 13.316 -2.060 7.914 1.00 1.38 H new ATOM 0 HA ASP A 63 13.862 0.649 7.247 1.00 1.61 H new ATOM 0 HB2 ASP A 63 11.643 -1.253 6.419 1.00 1.89 H new ATOM 0 HB3 ASP A 63 11.935 0.311 5.685 1.00 1.89 H new ATOM 761 N SER A 64 11.460 0.053 9.320 1.00 1.54 N ATOM 762 CA SER A 64 10.523 0.682 10.234 1.00 1.81 C ATOM 763 C SER A 64 11.267 1.640 11.163 1.00 1.74 C ATOM 764 O SER A 64 10.691 2.599 11.674 1.00 1.93 O ATOM 765 CB SER A 64 9.770 -0.378 11.042 1.00 2.41 C ATOM 766 OG SER A 64 8.825 0.212 11.919 1.00 2.91 O ATOM 0 H SER A 64 11.644 -0.931 9.516 1.00 1.54 H new ATOM 0 HA SER A 64 9.793 1.250 9.657 1.00 1.81 H new ATOM 0 HB2 SER A 64 9.260 -1.061 10.362 1.00 2.41 H new ATOM 0 HB3 SER A 64 10.481 -0.972 11.617 1.00 2.41 H new ATOM 0 HG SER A 64 8.171 -0.463 12.197 1.00 2.91 H new ATOM 772 N ASP A 65 12.554 1.379 11.374 1.00 1.69 N ATOM 773 CA ASP A 65 13.387 2.266 12.182 1.00 2.03 C ATOM 774 C ASP A 65 13.599 3.591 11.468 1.00 1.90 C ATOM 775 O ASP A 65 13.618 4.648 12.096 1.00 2.28 O ATOM 776 CB ASP A 65 14.743 1.632 12.497 1.00 2.26 C ATOM 777 CG ASP A 65 14.632 0.423 13.399 1.00 2.89 C ATOM 778 OD1 ASP A 65 14.141 0.565 14.541 1.00 3.35 O ATOM 779 OD2 ASP A 65 15.053 -0.673 12.980 1.00 3.46 O ATOM 0 H ASP A 65 13.041 0.565 10.999 1.00 1.69 H new ATOM 0 HA ASP A 65 12.863 2.439 13.122 1.00 2.03 H new ATOM 0 HB2 ASP A 65 15.227 1.341 11.565 1.00 2.26 H new ATOM 0 HB3 ASP A 65 15.385 2.375 12.971 1.00 2.26 H new ATOM 784 N LEU A 66 13.744 3.536 10.147 1.00 1.52 N ATOM 785 CA LEU A 66 13.906 4.755 9.350 1.00 1.61 C ATOM 786 C LEU A 66 12.545 5.385 9.020 1.00 1.45 C ATOM 787 O LEU A 66 12.382 6.049 7.994 1.00 1.72 O ATOM 788 CB LEU A 66 14.728 4.475 8.073 1.00 1.77 C ATOM 789 CG LEU A 66 14.224 3.347 7.158 1.00 1.59 C ATOM 790 CD1 LEU A 66 13.238 3.870 6.125 1.00 1.87 C ATOM 791 CD2 LEU A 66 15.392 2.664 6.464 1.00 1.57 C ATOM 0 H LEU A 66 13.753 2.671 9.607 1.00 1.52 H new ATOM 0 HA LEU A 66 14.463 5.478 9.947 1.00 1.61 H new ATOM 0 HB2 LEU A 66 14.770 5.394 7.488 1.00 1.77 H new ATOM 0 HB3 LEU A 66 15.750 4.240 8.371 1.00 1.77 H new ATOM 0 HG LEU A 66 13.706 2.620 7.783 1.00 1.59 H new ATOM 0 HD11 LEU A 66 12.901 3.047 5.494 1.00 1.87 H new ATOM 0 HD12 LEU A 66 12.381 4.313 6.632 1.00 1.87 H new ATOM 0 HD13 LEU A 66 13.724 4.625 5.507 1.00 1.87 H new ATOM 0 HD21 LEU A 66 15.018 1.868 5.820 1.00 1.57 H new ATOM 0 HD22 LEU A 66 15.934 3.393 5.862 1.00 1.57 H new ATOM 0 HD23 LEU A 66 16.062 2.241 7.212 1.00 1.57 H new ATOM 803 N ALA A 67 11.580 5.178 9.916 1.00 1.30 N ATOM 804 CA ALA A 67 10.221 5.695 9.764 1.00 1.26 C ATOM 805 C ALA A 67 10.198 7.191 9.453 1.00 1.27 C ATOM 806 O ALA A 67 11.019 7.964 9.954 1.00 1.53 O ATOM 807 CB ALA A 67 9.421 5.414 11.022 1.00 1.48 C ATOM 0 H ALA A 67 11.721 4.643 10.773 1.00 1.30 H new ATOM 0 HA ALA A 67 9.770 5.182 8.914 1.00 1.26 H new ATOM 0 HB1 ALA A 67 8.409 5.801 10.904 1.00 1.48 H new ATOM 0 HB2 ALA A 67 9.380 4.339 11.195 1.00 1.48 H new ATOM 0 HB3 ALA A 67 9.898 5.900 11.873 1.00 1.48 H new ATOM 813 N LEU A 68 9.254 7.580 8.609 1.00 1.15 N ATOM 814 CA LEU A 68 9.081 8.972 8.220 1.00 1.28 C ATOM 815 C LEU A 68 8.293 9.732 9.287 1.00 1.55 C ATOM 816 O LEU A 68 7.641 9.106 10.127 1.00 1.55 O ATOM 817 CB LEU A 68 8.375 9.031 6.861 1.00 1.24 C ATOM 818 CG LEU A 68 9.213 8.526 5.683 1.00 1.18 C ATOM 819 CD1 LEU A 68 8.368 8.427 4.426 1.00 1.20 C ATOM 820 CD2 LEU A 68 10.407 9.438 5.448 1.00 1.18 C ATOM 0 H LEU A 68 8.588 6.941 8.175 1.00 1.15 H new ATOM 0 HA LEU A 68 10.056 9.451 8.131 1.00 1.28 H new ATOM 0 HB2 LEU A 68 7.459 8.443 6.917 1.00 1.24 H new ATOM 0 HB3 LEU A 68 8.080 10.062 6.664 1.00 1.24 H new ATOM 0 HG LEU A 68 9.580 7.530 5.929 1.00 1.18 H new ATOM 0 HD11 LEU A 68 8.983 8.066 3.602 1.00 1.20 H new ATOM 0 HD12 LEU A 68 7.544 7.733 4.595 1.00 1.20 H new ATOM 0 HD13 LEU A 68 7.969 9.410 4.178 1.00 1.20 H new ATOM 0 HD21 LEU A 68 10.991 9.064 4.607 1.00 1.18 H new ATOM 0 HD22 LEU A 68 10.057 10.446 5.226 1.00 1.18 H new ATOM 0 HD23 LEU A 68 11.030 9.459 6.342 1.00 1.18 H new ATOM 832 N PRO A 69 8.359 11.083 9.286 1.00 1.93 N ATOM 833 CA PRO A 69 7.718 11.918 10.316 1.00 2.35 C ATOM 834 C PRO A 69 6.270 11.526 10.594 1.00 2.24 C ATOM 835 O PRO A 69 5.880 11.332 11.749 1.00 2.61 O ATOM 836 CB PRO A 69 7.783 13.323 9.719 1.00 2.74 C ATOM 837 CG PRO A 69 8.985 13.300 8.843 1.00 2.56 C ATOM 838 CD PRO A 69 9.066 11.907 8.284 1.00 2.06 C ATOM 0 HA PRO A 69 8.218 11.817 11.279 1.00 2.35 H new ATOM 0 HB2 PRO A 69 6.882 13.555 9.151 1.00 2.74 H new ATOM 0 HB3 PRO A 69 7.873 14.081 10.497 1.00 2.74 H new ATOM 0 HG2 PRO A 69 8.899 14.036 8.044 1.00 2.56 H new ATOM 0 HG3 PRO A 69 9.884 13.546 9.408 1.00 2.56 H new ATOM 0 HD2 PRO A 69 8.591 11.841 7.305 1.00 2.06 H new ATOM 0 HD3 PRO A 69 10.100 11.586 8.159 1.00 2.06 H new ATOM 846 N GLN A 70 5.479 11.401 9.540 1.00 1.83 N ATOM 847 CA GLN A 70 4.090 11.004 9.687 1.00 1.81 C ATOM 848 C GLN A 70 3.853 9.671 8.993 1.00 1.42 C ATOM 849 O GLN A 70 4.641 9.258 8.139 1.00 1.30 O ATOM 850 CB GLN A 70 3.160 12.078 9.115 1.00 1.92 C ATOM 851 CG GLN A 70 3.081 12.093 7.599 1.00 1.65 C ATOM 852 CD GLN A 70 2.139 13.164 7.092 1.00 2.17 C ATOM 853 OE1 GLN A 70 0.931 12.948 6.986 1.00 2.65 O ATOM 854 NE2 GLN A 70 2.686 14.313 6.730 1.00 2.75 N ATOM 0 H GLN A 70 5.774 11.568 8.578 1.00 1.83 H new ATOM 0 HA GLN A 70 3.869 10.892 10.748 1.00 1.81 H new ATOM 0 HB2 GLN A 70 2.159 11.927 9.518 1.00 1.92 H new ATOM 0 HB3 GLN A 70 3.498 13.055 9.459 1.00 1.92 H new ATOM 0 HG2 GLN A 70 4.076 12.259 7.186 1.00 1.65 H new ATOM 0 HG3 GLN A 70 2.747 11.118 7.243 1.00 1.65 H new ATOM 0 HE21 GLN A 70 3.691 14.454 6.833 1.00 2.75 H new ATOM 0 HE22 GLN A 70 2.103 15.057 6.348 1.00 2.75 H new ATOM 863 N THR A 71 2.779 8.994 9.372 1.00 1.36 N ATOM 864 CA THR A 71 2.427 7.734 8.751 1.00 1.13 C ATOM 865 C THR A 71 1.887 7.981 7.349 1.00 0.86 C ATOM 866 O THR A 71 1.184 8.959 7.094 1.00 0.83 O ATOM 867 CB THR A 71 1.387 6.963 9.586 1.00 1.23 C ATOM 868 OG1 THR A 71 0.263 7.800 9.878 1.00 1.53 O ATOM 869 CG2 THR A 71 1.998 6.458 10.883 1.00 1.55 C ATOM 0 H THR A 71 2.140 9.299 10.106 1.00 1.36 H new ATOM 0 HA THR A 71 3.329 7.124 8.694 1.00 1.13 H new ATOM 0 HB THR A 71 1.055 6.106 9.000 1.00 1.23 H new ATOM 0 HG1 THR A 71 -0.391 7.297 10.407 1.00 1.53 H new ATOM 0 HG21 THR A 71 1.244 5.917 11.454 1.00 1.55 H new ATOM 0 HG22 THR A 71 2.830 5.791 10.658 1.00 1.55 H new ATOM 0 HG23 THR A 71 2.359 7.303 11.468 1.00 1.55 H new ATOM 877 N LEU A 72 2.233 7.090 6.441 1.00 0.80 N ATOM 878 CA LEU A 72 1.932 7.279 5.031 1.00 0.65 C ATOM 879 C LEU A 72 0.470 6.985 4.687 1.00 0.65 C ATOM 880 O LEU A 72 -0.095 7.665 3.842 1.00 0.66 O ATOM 881 CB LEU A 72 2.893 6.465 4.166 1.00 0.78 C ATOM 882 CG LEU A 72 4.251 7.137 3.925 1.00 0.97 C ATOM 883 CD1 LEU A 72 4.968 7.421 5.238 1.00 1.47 C ATOM 884 CD2 LEU A 72 5.119 6.279 3.025 1.00 1.79 C ATOM 0 H LEU A 72 2.726 6.223 6.654 1.00 0.80 H new ATOM 0 HA LEU A 72 2.080 8.336 4.810 1.00 0.65 H new ATOM 0 HB2 LEU A 72 3.059 5.498 4.640 1.00 0.78 H new ATOM 0 HB3 LEU A 72 2.421 6.271 3.203 1.00 0.78 H new ATOM 0 HG LEU A 72 4.067 8.090 3.429 1.00 0.97 H new ATOM 0 HD11 LEU A 72 5.927 7.897 5.033 1.00 1.47 H new ATOM 0 HD12 LEU A 72 4.357 8.084 5.850 1.00 1.47 H new ATOM 0 HD13 LEU A 72 5.134 6.485 5.772 1.00 1.47 H new ATOM 0 HD21 LEU A 72 6.078 6.773 2.866 1.00 1.79 H new ATOM 0 HD22 LEU A 72 5.284 5.309 3.495 1.00 1.79 H new ATOM 0 HD23 LEU A 72 4.620 6.137 2.066 1.00 1.79 H new ATOM 896 N PRO A 73 -0.183 5.976 5.297 1.00 0.75 N ATOM 897 CA PRO A 73 -1.638 5.834 5.173 1.00 0.84 C ATOM 898 C PRO A 73 -2.368 7.124 5.554 1.00 0.80 C ATOM 899 O PRO A 73 -3.418 7.440 5.000 1.00 0.82 O ATOM 900 CB PRO A 73 -1.966 4.708 6.150 1.00 1.03 C ATOM 901 CG PRO A 73 -0.724 3.891 6.188 1.00 1.07 C ATOM 902 CD PRO A 73 0.410 4.869 6.072 1.00 0.84 C ATOM 0 HA PRO A 73 -1.953 5.622 4.151 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -2.218 5.097 7.137 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -2.820 4.121 5.811 1.00 1.03 H new ATOM 0 HG2 PRO A 73 -0.657 3.323 7.116 1.00 1.07 H new ATOM 0 HG3 PRO A 73 -0.704 3.170 5.371 1.00 1.07 H new ATOM 0 HD2 PRO A 73 0.757 5.202 7.050 1.00 0.84 H new ATOM 0 HD3 PRO A 73 1.268 4.433 5.561 1.00 0.84 H new ATOM 910 N GLU A 74 -1.783 7.877 6.484 1.00 0.78 N ATOM 911 CA GLU A 74 -2.327 9.168 6.888 1.00 0.78 C ATOM 912 C GLU A 74 -2.064 10.208 5.796 1.00 0.64 C ATOM 913 O GLU A 74 -2.888 11.094 5.554 1.00 0.64 O ATOM 914 CB GLU A 74 -1.710 9.602 8.219 1.00 0.87 C ATOM 915 CG GLU A 74 -2.337 10.846 8.821 1.00 1.22 C ATOM 916 CD GLU A 74 -1.826 11.125 10.218 1.00 1.48 C ATOM 917 OE1 GLU A 74 -2.432 10.616 11.185 1.00 2.28 O ATOM 918 OE2 GLU A 74 -0.820 11.849 10.362 1.00 1.67 O ATOM 0 H GLU A 74 -0.928 7.612 6.973 1.00 0.78 H new ATOM 0 HA GLU A 74 -3.405 9.080 7.025 1.00 0.78 H new ATOM 0 HB2 GLU A 74 -1.800 8.783 8.932 1.00 0.87 H new ATOM 0 HB3 GLU A 74 -0.645 9.781 8.071 1.00 0.87 H new ATOM 0 HG2 GLU A 74 -2.126 11.703 8.181 1.00 1.22 H new ATOM 0 HG3 GLU A 74 -3.420 10.728 8.849 1.00 1.22 H new ATOM 925 N ILE A 75 -0.904 10.089 5.144 1.00 0.58 N ATOM 926 CA ILE A 75 -0.608 10.853 3.931 1.00 0.53 C ATOM 927 C ILE A 75 -1.719 10.652 2.912 1.00 0.49 C ATOM 928 O ILE A 75 -2.251 11.609 2.350 1.00 0.53 O ATOM 929 CB ILE A 75 0.733 10.408 3.288 1.00 0.60 C ATOM 930 CG1 ILE A 75 1.932 10.957 4.062 1.00 0.73 C ATOM 931 CG2 ILE A 75 0.801 10.819 1.819 1.00 0.68 C ATOM 932 CD1 ILE A 75 2.180 12.427 3.830 1.00 1.38 C ATOM 0 H ILE A 75 -0.151 9.467 5.439 1.00 0.58 H new ATOM 0 HA ILE A 75 -0.531 11.902 4.216 1.00 0.53 H new ATOM 0 HB ILE A 75 0.775 9.320 3.338 1.00 0.60 H new ATOM 0 HG12 ILE A 75 1.775 10.788 5.127 1.00 0.73 H new ATOM 0 HG13 ILE A 75 2.824 10.398 3.779 1.00 0.73 H new ATOM 0 HG21 ILE A 75 1.751 10.495 1.394 1.00 0.68 H new ATOM 0 HG22 ILE A 75 -0.019 10.353 1.273 1.00 0.68 H new ATOM 0 HG23 ILE A 75 0.720 11.903 1.740 1.00 0.68 H new ATOM 0 HD11 ILE A 75 3.045 12.746 4.411 1.00 1.38 H new ATOM 0 HD12 ILE A 75 2.370 12.601 2.771 1.00 1.38 H new ATOM 0 HD13 ILE A 75 1.304 12.997 4.140 1.00 1.38 H new ATOM 944 N PHE A 76 -2.063 9.392 2.687 1.00 0.50 N ATOM 945 CA PHE A 76 -3.101 9.036 1.739 1.00 0.56 C ATOM 946 C PHE A 76 -4.449 9.617 2.144 1.00 0.60 C ATOM 947 O PHE A 76 -5.139 10.208 1.316 1.00 0.72 O ATOM 948 CB PHE A 76 -3.196 7.514 1.587 1.00 0.65 C ATOM 949 CG PHE A 76 -2.365 6.894 0.476 1.00 2.06 C ATOM 950 CD1 PHE A 76 -1.721 7.668 -0.487 1.00 2.12 C ATOM 951 CD2 PHE A 76 -2.256 5.519 0.384 1.00 2.34 C ATOM 952 CE1 PHE A 76 -0.998 7.075 -1.497 1.00 2.24 C ATOM 953 CE2 PHE A 76 -1.538 4.926 -0.634 1.00 2.35 C ATOM 954 CZ PHE A 76 -0.912 5.717 -1.576 1.00 2.36 C ATOM 0 H PHE A 76 -1.632 8.595 3.155 1.00 0.50 H new ATOM 0 HA PHE A 76 -2.829 9.466 0.775 1.00 0.56 H new ATOM 0 HB2 PHE A 76 -2.900 7.057 2.531 1.00 0.65 H new ATOM 0 HB3 PHE A 76 -4.241 7.252 1.420 1.00 0.65 H new ATOM 0 HD1 PHE A 76 -1.790 8.745 -0.440 1.00 2.12 H new ATOM 0 HD2 PHE A 76 -2.742 4.898 1.122 1.00 2.34 H new ATOM 0 HE1 PHE A 76 -0.496 7.689 -2.231 1.00 2.24 H new ATOM 0 HE2 PHE A 76 -1.466 3.850 -0.693 1.00 2.35 H new ATOM 0 HZ PHE A 76 -0.352 5.259 -2.378 1.00 2.36 H new ATOM 964 N GLU A 77 -4.819 9.477 3.410 1.00 0.63 N ATOM 965 CA GLU A 77 -6.091 10.013 3.884 1.00 0.73 C ATOM 966 C GLU A 77 -6.148 11.532 3.717 1.00 0.69 C ATOM 967 O GLU A 77 -7.229 12.119 3.670 1.00 0.80 O ATOM 968 CB GLU A 77 -6.335 9.638 5.346 1.00 0.90 C ATOM 969 CG GLU A 77 -6.431 8.140 5.586 1.00 1.56 C ATOM 970 CD GLU A 77 -6.915 7.800 6.979 1.00 1.94 C ATOM 971 OE1 GLU A 77 -6.204 8.107 7.959 1.00 2.52 O ATOM 972 OE2 GLU A 77 -8.019 7.232 7.104 1.00 2.41 O ATOM 0 H GLU A 77 -4.264 9.002 4.122 1.00 0.63 H new ATOM 0 HA GLU A 77 -6.878 9.569 3.275 1.00 0.73 H new ATOM 0 HB2 GLU A 77 -5.527 10.043 5.955 1.00 0.90 H new ATOM 0 HB3 GLU A 77 -7.257 10.111 5.684 1.00 0.90 H new ATOM 0 HG2 GLU A 77 -7.109 7.702 4.854 1.00 1.56 H new ATOM 0 HG3 GLU A 77 -5.453 7.687 5.425 1.00 1.56 H new ATOM 979 N ALA A 78 -4.983 12.159 3.622 1.00 0.61 N ATOM 980 CA ALA A 78 -4.906 13.598 3.418 1.00 0.62 C ATOM 981 C ALA A 78 -4.887 13.953 1.930 1.00 0.60 C ATOM 982 O ALA A 78 -5.817 14.572 1.418 1.00 0.65 O ATOM 983 CB ALA A 78 -3.671 14.159 4.109 1.00 0.64 C ATOM 0 H ALA A 78 -4.078 11.693 3.683 1.00 0.61 H new ATOM 0 HA ALA A 78 -5.798 14.047 3.856 1.00 0.62 H new ATOM 0 HB1 ALA A 78 -3.623 15.236 3.950 1.00 0.64 H new ATOM 0 HB2 ALA A 78 -3.726 13.952 5.178 1.00 0.64 H new ATOM 0 HB3 ALA A 78 -2.778 13.691 3.695 1.00 0.64 H new ATOM 989 N ALA A 79 -3.834 13.538 1.240 1.00 0.65 N ATOM 990 CA ALA A 79 -3.624 13.919 -0.151 1.00 0.75 C ATOM 991 C ALA A 79 -4.489 13.101 -1.100 1.00 0.86 C ATOM 992 O ALA A 79 -5.154 13.643 -1.983 1.00 0.99 O ATOM 993 CB ALA A 79 -2.160 13.749 -0.521 1.00 0.83 C ATOM 0 H ALA A 79 -3.107 12.934 1.623 1.00 0.65 H new ATOM 0 HA ALA A 79 -3.913 14.965 -0.252 1.00 0.75 H new ATOM 0 HB1 ALA A 79 -2.012 14.036 -1.562 1.00 0.83 H new ATOM 0 HB2 ALA A 79 -1.547 14.382 0.120 1.00 0.83 H new ATOM 0 HB3 ALA A 79 -1.870 12.707 -0.387 1.00 0.83 H new ATOM 999 N ALA A 80 -4.490 11.797 -0.891 1.00 0.91 N ATOM 1000 CA ALA A 80 -5.118 10.864 -1.816 1.00 1.12 C ATOM 1001 C ALA A 80 -6.623 10.764 -1.601 1.00 1.27 C ATOM 1002 O ALA A 80 -7.306 10.036 -2.309 1.00 1.56 O ATOM 1003 CB ALA A 80 -4.491 9.492 -1.662 1.00 1.25 C ATOM 0 H ALA A 80 -4.058 11.354 -0.080 1.00 0.91 H new ATOM 0 HA ALA A 80 -4.954 11.243 -2.825 1.00 1.12 H new ATOM 0 HB1 ALA A 80 -4.963 8.796 -2.356 1.00 1.25 H new ATOM 0 HB2 ALA A 80 -3.425 9.553 -1.879 1.00 1.25 H new ATOM 0 HB3 ALA A 80 -4.634 9.139 -0.641 1.00 1.25 H new ATOM 1009 N THR A 81 -7.144 11.489 -0.626 1.00 1.23 N ATOM 1010 CA THR A 81 -8.548 11.366 -0.264 1.00 1.46 C ATOM 1011 C THR A 81 -9.482 11.944 -1.339 1.00 1.63 C ATOM 1012 O THR A 81 -10.705 11.853 -1.216 1.00 1.89 O ATOM 1013 CB THR A 81 -8.837 12.028 1.100 1.00 1.60 C ATOM 1014 OG1 THR A 81 -10.110 11.600 1.601 1.00 2.33 O ATOM 1015 CG2 THR A 81 -8.817 13.543 0.989 1.00 1.65 C ATOM 0 H THR A 81 -6.620 12.166 -0.072 1.00 1.23 H new ATOM 0 HA THR A 81 -8.752 10.298 -0.187 1.00 1.46 H new ATOM 0 HB THR A 81 -8.053 11.721 1.792 1.00 1.60 H new ATOM 0 HG1 THR A 81 -10.281 12.026 2.467 1.00 2.33 H new ATOM 0 HG21 THR A 81 -9.024 13.982 1.965 1.00 1.65 H new ATOM 0 HG22 THR A 81 -7.836 13.870 0.645 1.00 1.65 H new ATOM 0 HG23 THR A 81 -9.577 13.866 0.278 1.00 1.65 H new ATOM 1023 N GLY A 82 -8.924 12.524 -2.399 1.00 1.69 N ATOM 1024 CA GLY A 82 -9.766 12.998 -3.481 1.00 2.14 C ATOM 1025 C GLY A 82 -9.091 13.997 -4.399 1.00 2.00 C ATOM 1026 O GLY A 82 -9.649 15.062 -4.671 1.00 2.59 O ATOM 0 H GLY A 82 -7.923 12.672 -2.526 1.00 1.69 H new ATOM 0 HA2 GLY A 82 -10.096 12.143 -4.072 1.00 2.14 H new ATOM 0 HA3 GLY A 82 -10.660 13.456 -3.057 1.00 2.14 H new ATOM 1030 N LYS A 83 -7.905 13.656 -4.892 1.00 1.89 N ATOM 1031 CA LYS A 83 -7.203 14.503 -5.852 1.00 2.11 C ATOM 1032 C LYS A 83 -5.987 13.778 -6.412 1.00 2.84 C ATOM 1033 O LYS A 83 -4.858 14.266 -6.209 1.00 3.20 O ATOM 1034 CB LYS A 83 -6.766 15.825 -5.204 1.00 2.31 C ATOM 1035 CG LYS A 83 -7.369 17.062 -5.860 1.00 2.78 C ATOM 1036 CD LYS A 83 -7.005 17.166 -7.336 1.00 3.44 C ATOM 1037 CE LYS A 83 -5.506 17.318 -7.548 1.00 3.93 C ATOM 1038 NZ LYS A 83 -4.979 18.577 -6.957 1.00 4.41 N ATOM 1039 OXT LYS A 83 -6.167 12.711 -7.031 1.00 3.62 O ATOM 0 H LYS A 83 -7.409 12.800 -4.643 1.00 1.89 H new ATOM 0 HA LYS A 83 -7.892 14.727 -6.666 1.00 2.11 H new ATOM 0 HB2 LYS A 83 -7.045 15.812 -4.150 1.00 2.31 H new ATOM 0 HB3 LYS A 83 -5.679 15.897 -5.245 1.00 2.31 H new ATOM 0 HG2 LYS A 83 -8.454 17.034 -5.756 1.00 2.78 H new ATOM 0 HG3 LYS A 83 -7.022 17.954 -5.338 1.00 2.78 H new ATOM 0 HD2 LYS A 83 -7.356 16.276 -7.859 1.00 3.44 H new ATOM 0 HD3 LYS A 83 -7.521 18.019 -7.777 1.00 3.44 H new ATOM 0 HE2 LYS A 83 -4.990 16.467 -7.104 1.00 3.93 H new ATOM 0 HE3 LYS A 83 -5.288 17.301 -8.616 1.00 3.93 H new ATOM 0 HZ1 LYS A 83 -3.997 18.722 -7.268 1.00 4.41 H new ATOM 0 HZ2 LYS A 83 -5.563 19.378 -7.270 1.00 4.41 H new ATOM 0 HZ3 LYS A 83 -5.007 18.512 -5.919 1.00 4.41 H new TER 1053 LYS A 83 ATOM 1054 N MET B 15 -16.091 7.596 0.085 1.00 2.24 N ATOM 1055 CA MET B 15 -15.229 8.661 0.646 1.00 1.67 C ATOM 1056 C MET B 15 -14.111 8.054 1.487 1.00 1.40 C ATOM 1057 O MET B 15 -13.269 8.769 2.033 1.00 1.55 O ATOM 1058 CB MET B 15 -16.060 9.619 1.504 1.00 1.81 C ATOM 1059 CG MET B 15 -17.260 10.204 0.777 1.00 2.21 C ATOM 1060 SD MET B 15 -16.801 11.360 -0.530 1.00 3.03 S ATOM 1061 CE MET B 15 -16.120 12.713 0.431 1.00 3.68 C ATOM 0 HA MET B 15 -14.787 9.216 -0.181 1.00 1.67 H new ATOM 0 HB2 MET B 15 -16.406 9.090 2.392 1.00 1.81 H new ATOM 0 HB3 MET B 15 -15.421 10.433 1.847 1.00 1.81 H new ATOM 0 HG2 MET B 15 -17.847 9.393 0.347 1.00 2.21 H new ATOM 0 HG3 MET B 15 -17.900 10.714 1.497 1.00 2.21 H new ATOM 0 HE1 MET B 15 -16.105 13.619 -0.175 1.00 3.68 H new ATOM 0 HE2 MET B 15 -16.736 12.878 1.315 1.00 3.68 H new ATOM 0 HE3 MET B 15 -15.104 12.466 0.738 1.00 3.68 H new ATOM 1073 N ASP B 16 -14.105 6.730 1.594 1.00 1.24 N ATOM 1074 CA ASP B 16 -13.094 6.026 2.371 1.00 1.13 C ATOM 1075 C ASP B 16 -11.793 5.933 1.582 1.00 0.91 C ATOM 1076 O ASP B 16 -11.758 5.369 0.490 1.00 1.01 O ATOM 1077 CB ASP B 16 -13.596 4.625 2.733 1.00 1.39 C ATOM 1078 CG ASP B 16 -12.601 3.838 3.562 1.00 1.84 C ATOM 1079 OD1 ASP B 16 -11.708 3.202 2.975 1.00 2.42 O ATOM 1080 OD2 ASP B 16 -12.721 3.845 4.806 1.00 2.27 O ATOM 0 H ASP B 16 -14.792 6.121 1.150 1.00 1.24 H new ATOM 0 HA ASP B 16 -12.904 6.581 3.290 1.00 1.13 H new ATOM 0 HB2 ASP B 16 -14.533 4.711 3.284 1.00 1.39 H new ATOM 0 HB3 ASP B 16 -13.814 4.075 1.818 1.00 1.39 H new ATOM 1085 N ASN B 17 -10.732 6.512 2.121 1.00 0.78 N ATOM 1086 CA ASN B 17 -9.432 6.495 1.456 1.00 0.75 C ATOM 1087 C ASN B 17 -8.757 5.139 1.593 1.00 0.62 C ATOM 1088 O ASN B 17 -7.988 4.738 0.727 1.00 0.65 O ATOM 1089 CB ASN B 17 -8.522 7.590 2.015 1.00 0.93 C ATOM 1090 CG ASN B 17 -7.082 7.414 1.577 1.00 1.57 C ATOM 1091 OD1 ASN B 17 -6.273 6.830 2.292 1.00 2.52 O ATOM 1092 ND2 ASN B 17 -6.758 7.896 0.390 1.00 1.71 N ATOM 0 H ASN B 17 -10.742 7.000 3.017 1.00 0.78 H new ATOM 0 HA ASN B 17 -9.605 6.686 0.397 1.00 0.75 H new ATOM 0 HB2 ASN B 17 -8.884 8.564 1.686 1.00 0.93 H new ATOM 0 HB3 ASN B 17 -8.573 7.582 3.104 1.00 0.93 H new ATOM 0 HD21 ASN B 17 -5.807 7.789 0.038 1.00 1.71 H new ATOM 0 HD22 ASN B 17 -7.459 8.375 -0.175 1.00 1.71 H new ATOM 1099 N LYS B 18 -9.078 4.428 2.659 1.00 0.59 N ATOM 1100 CA LYS B 18 -8.416 3.166 2.971 1.00 0.62 C ATOM 1101 C LYS B 18 -8.576 2.162 1.835 1.00 0.54 C ATOM 1102 O LYS B 18 -7.587 1.661 1.297 1.00 0.48 O ATOM 1103 CB LYS B 18 -8.977 2.591 4.268 1.00 0.82 C ATOM 1104 CG LYS B 18 -8.979 3.586 5.414 1.00 1.09 C ATOM 1105 CD LYS B 18 -7.571 4.023 5.790 1.00 1.04 C ATOM 1106 CE LYS B 18 -6.805 2.901 6.469 1.00 1.43 C ATOM 1107 NZ LYS B 18 -7.491 2.432 7.705 1.00 1.89 N ATOM 0 H LYS B 18 -9.797 4.702 3.329 1.00 0.59 H new ATOM 0 HA LYS B 18 -7.351 3.362 3.096 1.00 0.62 H new ATOM 0 HB2 LYS B 18 -9.996 2.246 4.094 1.00 0.82 H new ATOM 0 HB3 LYS B 18 -8.390 1.718 4.554 1.00 0.82 H new ATOM 0 HG2 LYS B 18 -9.568 4.460 5.135 1.00 1.09 H new ATOM 0 HG3 LYS B 18 -9.464 3.139 6.282 1.00 1.09 H new ATOM 0 HD2 LYS B 18 -7.036 4.341 4.895 1.00 1.04 H new ATOM 0 HD3 LYS B 18 -7.621 4.885 6.455 1.00 1.04 H new ATOM 0 HE2 LYS B 18 -6.693 2.067 5.777 1.00 1.43 H new ATOM 0 HE3 LYS B 18 -5.801 3.245 6.719 1.00 1.43 H new ATOM 0 HZ1 LYS B 18 -6.875 1.764 8.212 1.00 1.89 H new ATOM 0 HZ2 LYS B 18 -7.697 3.246 8.318 1.00 1.89 H new ATOM 0 HZ3 LYS B 18 -8.380 1.957 7.450 1.00 1.89 H new ATOM 1121 N LYS B 19 -9.814 1.885 1.451 1.00 0.61 N ATOM 1122 CA LYS B 19 -10.064 0.941 0.369 1.00 0.61 C ATOM 1123 C LYS B 19 -9.648 1.525 -0.980 1.00 0.53 C ATOM 1124 O LYS B 19 -9.356 0.786 -1.923 1.00 0.55 O ATOM 1125 CB LYS B 19 -11.530 0.464 0.355 1.00 0.77 C ATOM 1126 CG LYS B 19 -12.592 1.554 0.517 1.00 0.82 C ATOM 1127 CD LYS B 19 -12.704 2.476 -0.691 1.00 1.20 C ATOM 1128 CE LYS B 19 -13.043 1.722 -1.971 1.00 1.06 C ATOM 1129 NZ LYS B 19 -14.310 0.953 -1.866 1.00 1.49 N ATOM 0 H LYS B 19 -10.652 2.294 1.866 1.00 0.61 H new ATOM 0 HA LYS B 19 -9.446 0.062 0.552 1.00 0.61 H new ATOM 0 HB2 LYS B 19 -11.713 -0.057 -0.585 1.00 0.77 H new ATOM 0 HB3 LYS B 19 -11.662 -0.265 1.154 1.00 0.77 H new ATOM 0 HG2 LYS B 19 -13.559 1.084 0.697 1.00 0.82 H new ATOM 0 HG3 LYS B 19 -12.358 2.150 1.399 1.00 0.82 H new ATOM 0 HD2 LYS B 19 -13.471 3.227 -0.501 1.00 1.20 H new ATOM 0 HD3 LYS B 19 -11.763 3.009 -0.826 1.00 1.20 H new ATOM 0 HE2 LYS B 19 -13.120 2.431 -2.795 1.00 1.06 H new ATOM 0 HE3 LYS B 19 -12.228 1.040 -2.213 1.00 1.06 H new ATOM 0 HZ1 LYS B 19 -14.510 0.487 -2.774 1.00 1.49 H new ATOM 0 HZ2 LYS B 19 -14.219 0.233 -1.121 1.00 1.49 H new ATOM 0 HZ3 LYS B 19 -15.090 1.599 -1.630 1.00 1.49 H new ATOM 1143 N ARG B 20 -9.596 2.849 -1.066 1.00 0.55 N ATOM 1144 CA ARG B 20 -9.186 3.504 -2.300 1.00 0.59 C ATOM 1145 C ARG B 20 -7.681 3.403 -2.483 1.00 0.55 C ATOM 1146 O ARG B 20 -7.187 3.269 -3.602 1.00 0.61 O ATOM 1147 CB ARG B 20 -9.627 4.970 -2.335 1.00 0.70 C ATOM 1148 CG ARG B 20 -11.110 5.155 -2.615 1.00 0.82 C ATOM 1149 CD ARG B 20 -11.472 6.622 -2.761 1.00 1.01 C ATOM 1150 NE ARG B 20 -11.373 7.338 -1.492 1.00 1.31 N ATOM 1151 CZ ARG B 20 -11.445 8.663 -1.378 1.00 1.46 C ATOM 1152 NH1 ARG B 20 -11.626 9.417 -2.455 1.00 1.33 N ATOM 1153 NH2 ARG B 20 -11.353 9.235 -0.185 1.00 2.34 N ATOM 0 H ARG B 20 -9.830 3.484 -0.303 1.00 0.55 H new ATOM 0 HA ARG B 20 -9.679 2.988 -3.124 1.00 0.59 H new ATOM 0 HB2 ARG B 20 -9.386 5.436 -1.380 1.00 0.70 H new ATOM 0 HB3 ARG B 20 -9.054 5.495 -3.099 1.00 0.70 H new ATOM 0 HG2 ARG B 20 -11.378 4.621 -3.527 1.00 0.82 H new ATOM 0 HG3 ARG B 20 -11.692 4.715 -1.805 1.00 0.82 H new ATOM 0 HD2 ARG B 20 -10.812 7.087 -3.493 1.00 1.01 H new ATOM 0 HD3 ARG B 20 -12.487 6.708 -3.148 1.00 1.01 H new ATOM 0 HE ARG B 20 -11.241 6.790 -0.642 1.00 1.31 H new ATOM 0 HH11 ARG B 20 -11.710 8.982 -3.374 1.00 1.33 H new ATOM 0 HH12 ARG B 20 -11.681 10.431 -2.364 1.00 1.33 H new ATOM 0 HH21 ARG B 20 -11.227 8.660 0.648 1.00 2.34 H new ATOM 0 HH22 ARG B 20 -11.408 10.250 -0.100 1.00 2.34 H new ATOM 1167 N LEU B 21 -6.960 3.452 -1.376 1.00 0.54 N ATOM 1168 CA LEU B 21 -5.516 3.337 -1.403 1.00 0.58 C ATOM 1169 C LEU B 21 -5.122 1.943 -1.876 1.00 0.57 C ATOM 1170 O LEU B 21 -4.144 1.776 -2.603 1.00 0.64 O ATOM 1171 CB LEU B 21 -4.938 3.675 -0.010 1.00 0.64 C ATOM 1172 CG LEU B 21 -4.453 2.507 0.867 1.00 0.60 C ATOM 1173 CD1 LEU B 21 -3.069 2.061 0.447 1.00 0.70 C ATOM 1174 CD2 LEU B 21 -4.413 2.916 2.323 1.00 0.61 C ATOM 0 H LEU B 21 -7.356 3.571 -0.444 1.00 0.54 H new ATOM 0 HA LEU B 21 -5.094 4.052 -2.109 1.00 0.58 H new ATOM 0 HB2 LEU B 21 -4.101 4.358 -0.151 1.00 0.64 H new ATOM 0 HB3 LEU B 21 -5.702 4.218 0.547 1.00 0.64 H new ATOM 0 HG LEU B 21 -5.155 1.683 0.738 1.00 0.60 H new ATOM 0 HD11 LEU B 21 -2.745 1.235 1.080 1.00 0.70 H new ATOM 0 HD12 LEU B 21 -3.092 1.735 -0.593 1.00 0.70 H new ATOM 0 HD13 LEU B 21 -2.372 2.892 0.551 1.00 0.70 H new ATOM 0 HD21 LEU B 21 -4.068 2.077 2.927 1.00 0.61 H new ATOM 0 HD22 LEU B 21 -3.731 3.757 2.446 1.00 0.61 H new ATOM 0 HD23 LEU B 21 -5.412 3.209 2.646 1.00 0.61 H new ATOM 1186 N ALA B 22 -5.920 0.957 -1.490 1.00 0.55 N ATOM 1187 CA ALA B 22 -5.652 -0.429 -1.835 1.00 0.63 C ATOM 1188 C ALA B 22 -5.655 -0.651 -3.343 1.00 0.51 C ATOM 1189 O ALA B 22 -4.637 -1.037 -3.913 1.00 0.44 O ATOM 1190 CB ALA B 22 -6.666 -1.337 -1.168 1.00 0.83 C ATOM 0 H ALA B 22 -6.764 1.095 -0.934 1.00 0.55 H new ATOM 0 HA ALA B 22 -4.654 -0.673 -1.471 1.00 0.63 H new ATOM 0 HB1 ALA B 22 -6.456 -2.373 -1.433 1.00 0.83 H new ATOM 0 HB2 ALA B 22 -6.604 -1.219 -0.086 1.00 0.83 H new ATOM 0 HB3 ALA B 22 -7.668 -1.072 -1.505 1.00 0.83 H new ATOM 1196 N TYR B 23 -6.790 -0.392 -3.991 1.00 0.62 N ATOM 1197 CA TYR B 23 -6.924 -0.684 -5.419 1.00 0.75 C ATOM 1198 C TYR B 23 -5.964 0.169 -6.235 1.00 0.66 C ATOM 1199 O TYR B 23 -5.439 -0.270 -7.257 1.00 0.66 O ATOM 1200 CB TYR B 23 -8.371 -0.481 -5.895 1.00 1.10 C ATOM 1201 CG TYR B 23 -8.765 0.953 -6.189 1.00 1.02 C ATOM 1202 CD1 TYR B 23 -8.478 1.542 -7.417 1.00 1.86 C ATOM 1203 CD2 TYR B 23 -9.432 1.711 -5.241 1.00 1.46 C ATOM 1204 CE1 TYR B 23 -8.842 2.848 -7.683 1.00 2.48 C ATOM 1205 CE2 TYR B 23 -9.799 3.015 -5.504 1.00 1.83 C ATOM 1206 CZ TYR B 23 -9.504 3.579 -6.720 1.00 2.22 C ATOM 1207 OH TYR B 23 -9.868 4.881 -6.965 1.00 2.99 O ATOM 0 H TYR B 23 -7.620 0.014 -3.558 1.00 0.62 H new ATOM 0 HA TYR B 23 -6.667 -1.732 -5.571 1.00 0.75 H new ATOM 0 HB2 TYR B 23 -8.525 -1.074 -6.796 1.00 1.10 H new ATOM 0 HB3 TYR B 23 -9.044 -0.876 -5.134 1.00 1.10 H new ATOM 0 HD1 TYR B 23 -7.963 0.969 -8.174 1.00 1.86 H new ATOM 0 HD2 TYR B 23 -9.668 1.275 -4.282 1.00 1.46 H new ATOM 0 HE1 TYR B 23 -8.609 3.293 -8.639 1.00 2.48 H new ATOM 0 HE2 TYR B 23 -10.318 3.592 -4.753 1.00 1.83 H new ATOM 0 HH TYR B 23 -10.326 5.246 -6.179 1.00 2.99 H new ATOM 1217 N ALA B 24 -5.743 1.389 -5.771 1.00 0.72 N ATOM 1218 CA ALA B 24 -4.817 2.303 -6.429 1.00 0.87 C ATOM 1219 C ALA B 24 -3.405 1.732 -6.436 1.00 0.75 C ATOM 1220 O ALA B 24 -2.704 1.792 -7.446 1.00 0.84 O ATOM 1221 CB ALA B 24 -4.837 3.660 -5.753 1.00 1.14 C ATOM 0 H ALA B 24 -6.193 1.772 -4.939 1.00 0.72 H new ATOM 0 HA ALA B 24 -5.140 2.427 -7.463 1.00 0.87 H new ATOM 0 HB1 ALA B 24 -4.140 4.328 -6.258 1.00 1.14 H new ATOM 0 HB2 ALA B 24 -5.842 4.078 -5.805 1.00 1.14 H new ATOM 0 HB3 ALA B 24 -4.543 3.551 -4.709 1.00 1.14 H new ATOM 1227 N ILE B 25 -2.995 1.177 -5.301 1.00 0.63 N ATOM 1228 CA ILE B 25 -1.709 0.504 -5.209 1.00 0.71 C ATOM 1229 C ILE B 25 -1.724 -0.767 -6.051 1.00 0.61 C ATOM 1230 O ILE B 25 -0.767 -1.057 -6.759 1.00 0.66 O ATOM 1231 CB ILE B 25 -1.344 0.166 -3.744 1.00 0.80 C ATOM 1232 CG1 ILE B 25 -1.090 1.451 -2.955 1.00 0.97 C ATOM 1233 CG2 ILE B 25 -0.126 -0.745 -3.678 1.00 0.91 C ATOM 1234 CD1 ILE B 25 -0.715 1.211 -1.511 1.00 0.89 C ATOM 0 H ILE B 25 -3.534 1.181 -4.435 1.00 0.63 H new ATOM 0 HA ILE B 25 -0.949 1.185 -5.592 1.00 0.71 H new ATOM 0 HB ILE B 25 -2.185 -0.364 -3.298 1.00 0.80 H new ATOM 0 HG12 ILE B 25 -0.292 2.013 -3.440 1.00 0.97 H new ATOM 0 HG13 ILE B 25 -1.985 2.072 -2.991 1.00 0.97 H new ATOM 0 HG21 ILE B 25 0.107 -0.966 -2.636 1.00 0.91 H new ATOM 0 HG22 ILE B 25 -0.337 -1.674 -4.207 1.00 0.91 H new ATOM 0 HG23 ILE B 25 0.726 -0.248 -4.143 1.00 0.91 H new ATOM 0 HD11 ILE B 25 -0.550 2.167 -1.014 1.00 0.89 H new ATOM 0 HD12 ILE B 25 -1.522 0.676 -1.010 1.00 0.89 H new ATOM 0 HD13 ILE B 25 0.197 0.616 -1.466 1.00 0.89 H new ATOM 1246 N ILE B 26 -2.831 -1.499 -5.984 1.00 0.53 N ATOM 1247 CA ILE B 26 -3.003 -2.724 -6.760 1.00 0.53 C ATOM 1248 C ILE B 26 -2.778 -2.484 -8.254 1.00 0.51 C ATOM 1249 O ILE B 26 -1.941 -3.137 -8.875 1.00 0.53 O ATOM 1250 CB ILE B 26 -4.412 -3.325 -6.557 1.00 0.58 C ATOM 1251 CG1 ILE B 26 -4.555 -3.904 -5.145 1.00 0.67 C ATOM 1252 CG2 ILE B 26 -4.696 -4.387 -7.608 1.00 0.62 C ATOM 1253 CD1 ILE B 26 -5.947 -4.416 -4.833 1.00 0.78 C ATOM 0 H ILE B 26 -3.630 -1.263 -5.395 1.00 0.53 H new ATOM 0 HA ILE B 26 -2.254 -3.427 -6.396 1.00 0.53 H new ATOM 0 HB ILE B 26 -5.146 -2.527 -6.672 1.00 0.58 H new ATOM 0 HG12 ILE B 26 -3.842 -4.719 -5.023 1.00 0.67 H new ATOM 0 HG13 ILE B 26 -4.289 -3.136 -4.419 1.00 0.67 H new ATOM 0 HG21 ILE B 26 -5.693 -4.799 -7.449 1.00 0.62 H new ATOM 0 HG22 ILE B 26 -4.642 -3.940 -8.601 1.00 0.62 H new ATOM 0 HG23 ILE B 26 -3.957 -5.184 -7.529 1.00 0.62 H new ATOM 0 HD11 ILE B 26 -5.970 -4.810 -3.817 1.00 0.78 H new ATOM 0 HD12 ILE B 26 -6.663 -3.599 -4.922 1.00 0.78 H new ATOM 0 HD13 ILE B 26 -6.210 -5.207 -5.535 1.00 0.78 H new ATOM 1265 N GLN B 27 -3.525 -1.541 -8.820 1.00 0.54 N ATOM 1266 CA GLN B 27 -3.453 -1.261 -10.251 1.00 0.62 C ATOM 1267 C GLN B 27 -2.052 -0.820 -10.654 1.00 0.55 C ATOM 1268 O GLN B 27 -1.526 -1.250 -11.683 1.00 0.57 O ATOM 1269 CB GLN B 27 -4.475 -0.189 -10.637 1.00 0.79 C ATOM 1270 CG GLN B 27 -5.917 -0.620 -10.420 1.00 0.89 C ATOM 1271 CD GLN B 27 -6.307 -1.809 -11.278 1.00 1.10 C ATOM 1272 OE1 GLN B 27 -6.783 -1.650 -12.402 1.00 1.58 O ATOM 1273 NE2 GLN B 27 -6.120 -3.008 -10.753 1.00 1.34 N ATOM 0 H GLN B 27 -4.188 -0.957 -8.310 1.00 0.54 H new ATOM 0 HA GLN B 27 -3.687 -2.182 -10.786 1.00 0.62 H new ATOM 0 HB2 GLN B 27 -4.282 0.712 -10.055 1.00 0.79 H new ATOM 0 HB3 GLN B 27 -4.336 0.073 -11.686 1.00 0.79 H new ATOM 0 HG2 GLN B 27 -6.063 -0.872 -9.369 1.00 0.89 H new ATOM 0 HG3 GLN B 27 -6.580 0.216 -10.642 1.00 0.89 H new ATOM 0 HE21 GLN B 27 -5.723 -3.099 -9.818 1.00 1.34 H new ATOM 0 HE22 GLN B 27 -6.373 -3.842 -11.283 1.00 1.34 H new ATOM 1282 N PHE B 28 -1.445 0.020 -9.829 1.00 0.52 N ATOM 1283 CA PHE B 28 -0.098 0.496 -10.091 1.00 0.51 C ATOM 1284 C PHE B 28 0.896 -0.655 -10.001 1.00 0.43 C ATOM 1285 O PHE B 28 1.762 -0.803 -10.859 1.00 0.42 O ATOM 1286 CB PHE B 28 0.284 1.599 -9.104 1.00 0.60 C ATOM 1287 CG PHE B 28 1.641 2.193 -9.361 1.00 0.90 C ATOM 1288 CD1 PHE B 28 1.807 3.184 -10.314 1.00 1.60 C ATOM 1289 CD2 PHE B 28 2.749 1.758 -8.651 1.00 1.62 C ATOM 1290 CE1 PHE B 28 3.051 3.732 -10.555 1.00 1.98 C ATOM 1291 CE2 PHE B 28 3.996 2.301 -8.888 1.00 1.96 C ATOM 1292 CZ PHE B 28 4.147 3.289 -9.842 1.00 1.83 C ATOM 0 H PHE B 28 -1.864 0.385 -8.974 1.00 0.52 H new ATOM 0 HA PHE B 28 -0.069 0.908 -11.100 1.00 0.51 H new ATOM 0 HB2 PHE B 28 -0.464 2.390 -9.149 1.00 0.60 H new ATOM 0 HB3 PHE B 28 0.259 1.194 -8.092 1.00 0.60 H new ATOM 0 HD1 PHE B 28 0.953 3.532 -10.876 1.00 1.60 H new ATOM 0 HD2 PHE B 28 2.636 0.986 -7.904 1.00 1.62 H new ATOM 0 HE1 PHE B 28 3.167 4.506 -11.300 1.00 1.98 H new ATOM 0 HE2 PHE B 28 4.852 1.954 -8.329 1.00 1.96 H new ATOM 0 HZ PHE B 28 5.122 3.714 -10.030 1.00 1.83 H new ATOM 1302 N LEU B 29 0.754 -1.472 -8.963 1.00 0.45 N ATOM 1303 CA LEU B 29 1.632 -2.616 -8.755 1.00 0.45 C ATOM 1304 C LEU B 29 1.454 -3.651 -9.853 1.00 0.45 C ATOM 1305 O LEU B 29 2.377 -4.394 -10.158 1.00 0.48 O ATOM 1306 CB LEU B 29 1.383 -3.257 -7.386 1.00 0.53 C ATOM 1307 CG LEU B 29 2.392 -2.890 -6.292 1.00 0.59 C ATOM 1308 CD1 LEU B 29 2.454 -1.384 -6.083 1.00 0.57 C ATOM 1309 CD2 LEU B 29 2.042 -3.595 -4.991 1.00 0.70 C ATOM 0 H LEU B 29 0.034 -1.361 -8.249 1.00 0.45 H new ATOM 0 HA LEU B 29 2.658 -2.250 -8.788 1.00 0.45 H new ATOM 0 HB2 LEU B 29 0.387 -2.973 -7.047 1.00 0.53 H new ATOM 0 HB3 LEU B 29 1.382 -4.340 -7.506 1.00 0.53 H new ATOM 0 HG LEU B 29 3.378 -3.223 -6.617 1.00 0.59 H new ATOM 0 HD11 LEU B 29 3.178 -1.155 -5.301 1.00 0.57 H new ATOM 0 HD12 LEU B 29 2.757 -0.900 -7.011 1.00 0.57 H new ATOM 0 HD13 LEU B 29 1.471 -1.017 -5.786 1.00 0.57 H new ATOM 0 HD21 LEU B 29 2.768 -3.324 -4.224 1.00 0.70 H new ATOM 0 HD22 LEU B 29 1.045 -3.293 -4.670 1.00 0.70 H new ATOM 0 HD23 LEU B 29 2.062 -4.674 -5.145 1.00 0.70 H new ATOM 1321 N HIS B 30 0.267 -3.695 -10.444 1.00 0.47 N ATOM 1322 CA HIS B 30 0.000 -4.607 -11.549 1.00 0.53 C ATOM 1323 C HIS B 30 0.747 -4.152 -12.799 1.00 0.48 C ATOM 1324 O HIS B 30 1.387 -4.955 -13.481 1.00 0.49 O ATOM 1325 CB HIS B 30 -1.503 -4.687 -11.829 1.00 0.67 C ATOM 1326 CG HIS B 30 -1.860 -5.668 -12.902 1.00 0.94 C ATOM 1327 ND1 HIS B 30 -2.377 -5.296 -14.124 1.00 1.11 N ATOM 1328 CD2 HIS B 30 -1.779 -7.017 -12.926 1.00 1.18 C ATOM 1329 CE1 HIS B 30 -2.600 -6.374 -14.850 1.00 1.38 C ATOM 1330 NE2 HIS B 30 -2.245 -7.431 -14.147 1.00 1.41 N ATOM 0 H HIS B 30 -0.525 -3.111 -10.177 1.00 0.47 H new ATOM 0 HA HIS B 30 0.352 -5.600 -11.271 1.00 0.53 H new ATOM 0 HB2 HIS B 30 -2.021 -4.961 -10.910 1.00 0.67 H new ATOM 0 HB3 HIS B 30 -1.864 -3.699 -12.116 1.00 0.67 H new ATOM 0 HD2 HIS B 30 -1.415 -7.651 -12.131 1.00 1.18 H new ATOM 0 HE1 HIS B 30 -3.005 -6.388 -15.851 1.00 1.38 H new ATOM 0 HE2 HIS B 30 -2.307 -8.400 -14.461 1.00 1.41 H new ATOM 1339 N ASP B 31 0.667 -2.861 -13.088 1.00 0.48 N ATOM 1340 CA ASP B 31 1.391 -2.278 -14.214 1.00 0.52 C ATOM 1341 C ASP B 31 2.894 -2.380 -13.979 1.00 0.45 C ATOM 1342 O ASP B 31 3.660 -2.760 -14.866 1.00 0.50 O ATOM 1343 CB ASP B 31 0.982 -0.814 -14.391 1.00 0.63 C ATOM 1344 CG ASP B 31 1.757 -0.116 -15.486 1.00 1.24 C ATOM 1345 OD1 ASP B 31 1.327 -0.178 -16.659 1.00 1.79 O ATOM 1346 OD2 ASP B 31 2.795 0.506 -15.176 1.00 1.98 O ATOM 0 H ASP B 31 0.107 -2.194 -12.558 1.00 0.48 H new ATOM 0 HA ASP B 31 1.141 -2.828 -15.122 1.00 0.52 H new ATOM 0 HB2 ASP B 31 -0.083 -0.764 -14.618 1.00 0.63 H new ATOM 0 HB3 ASP B 31 1.133 -0.283 -13.451 1.00 0.63 H new ATOM 1351 N GLN B 32 3.292 -2.048 -12.763 1.00 0.42 N ATOM 1352 CA GLN B 32 4.674 -2.157 -12.313 1.00 0.44 C ATOM 1353 C GLN B 32 5.157 -3.606 -12.373 1.00 0.38 C ATOM 1354 O GLN B 32 6.331 -3.876 -12.637 1.00 0.43 O ATOM 1355 CB GLN B 32 4.751 -1.612 -10.886 1.00 0.52 C ATOM 1356 CG GLN B 32 5.984 -2.010 -10.103 1.00 0.57 C ATOM 1357 CD GLN B 32 5.869 -1.589 -8.653 1.00 1.17 C ATOM 1358 OE1 GLN B 32 6.324 -0.515 -8.265 1.00 1.93 O ATOM 1359 NE2 GLN B 32 5.215 -2.414 -7.850 1.00 1.31 N ATOM 0 H GLN B 32 2.658 -1.690 -12.049 1.00 0.42 H new ATOM 0 HA GLN B 32 5.325 -1.578 -12.968 1.00 0.44 H new ATOM 0 HB2 GLN B 32 4.704 -0.524 -10.928 1.00 0.52 H new ATOM 0 HB3 GLN B 32 3.870 -1.948 -10.339 1.00 0.52 H new ATOM 0 HG2 GLN B 32 6.123 -3.090 -10.161 1.00 0.57 H new ATOM 0 HG3 GLN B 32 6.866 -1.551 -10.549 1.00 0.57 H new ATOM 0 HE21 GLN B 32 4.853 -3.297 -8.211 1.00 1.31 H new ATOM 0 HE22 GLN B 32 5.073 -2.167 -6.871 1.00 1.31 H new ATOM 1368 N LEU B 33 4.238 -4.532 -12.131 1.00 0.37 N ATOM 1369 CA LEU B 33 4.537 -5.957 -12.175 1.00 0.42 C ATOM 1370 C LEU B 33 4.927 -6.356 -13.592 1.00 0.46 C ATOM 1371 O LEU B 33 5.962 -6.981 -13.811 1.00 0.53 O ATOM 1372 CB LEU B 33 3.311 -6.761 -11.714 1.00 0.53 C ATOM 1373 CG LEU B 33 3.591 -8.101 -11.021 1.00 0.80 C ATOM 1374 CD1 LEU B 33 4.199 -9.109 -11.985 1.00 1.22 C ATOM 1375 CD2 LEU B 33 4.501 -7.891 -9.824 1.00 0.83 C ATOM 0 H LEU B 33 3.268 -4.317 -11.900 1.00 0.37 H new ATOM 0 HA LEU B 33 5.370 -6.172 -11.506 1.00 0.42 H new ATOM 0 HB2 LEU B 33 2.732 -6.139 -11.032 1.00 0.53 H new ATOM 0 HB3 LEU B 33 2.682 -6.952 -12.583 1.00 0.53 H new ATOM 0 HG LEU B 33 2.640 -8.507 -10.675 1.00 0.80 H new ATOM 0 HD11 LEU B 33 4.385 -10.047 -11.461 1.00 1.22 H new ATOM 0 HD12 LEU B 33 3.509 -9.285 -12.811 1.00 1.22 H new ATOM 0 HD13 LEU B 33 5.139 -8.719 -12.374 1.00 1.22 H new ATOM 0 HD21 LEU B 33 4.693 -8.849 -9.340 1.00 0.83 H new ATOM 0 HD22 LEU B 33 5.444 -7.457 -10.156 1.00 0.83 H new ATOM 0 HD23 LEU B 33 4.020 -7.216 -9.115 1.00 0.83 H new ATOM 1387 N ARG B 34 4.102 -5.958 -14.552 1.00 0.47 N ATOM 1388 CA ARG B 34 4.347 -6.278 -15.951 1.00 0.59 C ATOM 1389 C ARG B 34 5.561 -5.516 -16.477 1.00 0.58 C ATOM 1390 O ARG B 34 6.224 -5.955 -17.416 1.00 0.69 O ATOM 1391 CB ARG B 34 3.114 -5.952 -16.797 1.00 0.70 C ATOM 1392 CG ARG B 34 1.859 -6.703 -16.370 1.00 1.41 C ATOM 1393 CD ARG B 34 2.050 -8.211 -16.432 1.00 1.46 C ATOM 1394 NE ARG B 34 2.430 -8.665 -17.769 1.00 2.18 N ATOM 1395 CZ ARG B 34 2.670 -9.937 -18.084 1.00 2.53 C ATOM 1396 NH1 ARG B 34 2.537 -10.894 -17.173 1.00 2.19 N ATOM 1397 NH2 ARG B 34 3.040 -10.254 -19.318 1.00 3.50 N ATOM 0 H ARG B 34 3.256 -5.412 -14.386 1.00 0.47 H new ATOM 0 HA ARG B 34 4.552 -7.346 -16.024 1.00 0.59 H new ATOM 0 HB2 ARG B 34 2.921 -4.881 -16.743 1.00 0.70 H new ATOM 0 HB3 ARG B 34 3.329 -6.185 -17.840 1.00 0.70 H new ATOM 0 HG2 ARG B 34 1.591 -6.413 -15.354 1.00 1.41 H new ATOM 0 HG3 ARG B 34 1.028 -6.416 -17.014 1.00 1.41 H new ATOM 0 HD2 ARG B 34 2.818 -8.508 -15.717 1.00 1.46 H new ATOM 0 HD3 ARG B 34 1.126 -8.705 -16.131 1.00 1.46 H new ATOM 0 HE ARG B 34 2.517 -7.965 -18.506 1.00 2.18 H new ATOM 0 HH11 ARG B 34 2.249 -10.658 -16.223 1.00 2.19 H new ATOM 0 HH12 ARG B 34 2.723 -11.865 -17.423 1.00 2.19 H new ATOM 0 HH21 ARG B 34 3.140 -9.524 -20.024 1.00 3.50 H new ATOM 0 HH22 ARG B 34 3.224 -11.227 -19.561 1.00 3.50 H new ATOM 1411 N HIS B 35 5.855 -4.378 -15.862 1.00 0.53 N ATOM 1412 CA HIS B 35 7.017 -3.586 -16.248 1.00 0.59 C ATOM 1413 C HIS B 35 8.289 -4.106 -15.588 1.00 0.58 C ATOM 1414 O HIS B 35 9.384 -3.606 -15.845 1.00 0.74 O ATOM 1415 CB HIS B 35 6.815 -2.107 -15.903 1.00 0.59 C ATOM 1416 CG HIS B 35 6.022 -1.355 -16.926 1.00 1.17 C ATOM 1417 ND1 HIS B 35 4.952 -0.543 -16.616 1.00 1.99 N ATOM 1418 CD2 HIS B 35 6.171 -1.275 -18.270 1.00 1.62 C ATOM 1419 CE1 HIS B 35 4.481 0.002 -17.720 1.00 2.69 C ATOM 1420 NE2 HIS B 35 5.202 -0.425 -18.735 1.00 2.43 N ATOM 0 H HIS B 35 5.308 -3.983 -15.097 1.00 0.53 H new ATOM 0 HA HIS B 35 7.127 -3.681 -17.328 1.00 0.59 H new ATOM 0 HB2 HIS B 35 6.311 -2.033 -14.939 1.00 0.59 H new ATOM 0 HB3 HIS B 35 7.790 -1.632 -15.791 1.00 0.59 H new ATOM 0 HD1 HIS B 35 4.582 -0.388 -15.678 1.00 1.99 H new ATOM 0 HD2 HIS B 35 6.914 -1.786 -18.864 1.00 1.62 H new ATOM 0 HE1 HIS B 35 3.645 0.683 -17.781 1.00 2.69 H new ATOM 1429 N GLY B 36 8.134 -5.119 -14.740 1.00 0.49 N ATOM 1430 CA GLY B 36 9.271 -5.732 -14.080 1.00 0.51 C ATOM 1431 C GLY B 36 9.999 -4.775 -13.159 1.00 0.47 C ATOM 1432 O GLY B 36 11.229 -4.773 -13.108 1.00 0.53 O ATOM 0 H GLY B 36 7.232 -5.529 -14.497 1.00 0.49 H new ATOM 0 HA2 GLY B 36 8.931 -6.594 -13.506 1.00 0.51 H new ATOM 0 HA3 GLY B 36 9.966 -6.104 -14.833 1.00 0.51 H new ATOM 1436 N GLY B 37 9.241 -3.952 -12.442 1.00 0.41 N ATOM 1437 CA GLY B 37 9.838 -2.996 -11.526 1.00 0.40 C ATOM 1438 C GLY B 37 10.621 -3.673 -10.419 1.00 0.39 C ATOM 1439 O GLY B 37 11.748 -3.287 -10.116 1.00 0.53 O ATOM 0 H GLY B 37 8.222 -3.930 -12.479 1.00 0.41 H new ATOM 0 HA2 GLY B 37 10.499 -2.329 -12.080 1.00 0.40 H new ATOM 0 HA3 GLY B 37 9.055 -2.377 -11.088 1.00 0.40 H new ATOM 1443 N LEU B 38 10.020 -4.687 -9.819 1.00 0.36 N ATOM 1444 CA LEU B 38 10.668 -5.444 -8.756 1.00 0.41 C ATOM 1445 C LEU B 38 11.377 -6.666 -9.334 1.00 0.49 C ATOM 1446 O LEU B 38 11.307 -6.917 -10.539 1.00 0.83 O ATOM 1447 CB LEU B 38 9.642 -5.881 -7.697 1.00 0.44 C ATOM 1448 CG LEU B 38 9.129 -4.788 -6.743 1.00 0.44 C ATOM 1449 CD1 LEU B 38 10.274 -4.172 -5.957 1.00 0.51 C ATOM 1450 CD2 LEU B 38 8.364 -3.713 -7.494 1.00 0.47 C ATOM 0 H LEU B 38 9.080 -5.008 -10.050 1.00 0.36 H new ATOM 0 HA LEU B 38 11.406 -4.800 -8.278 1.00 0.41 H new ATOM 0 HB2 LEU B 38 8.784 -6.314 -8.212 1.00 0.44 H new ATOM 0 HB3 LEU B 38 10.088 -6.675 -7.098 1.00 0.44 H new ATOM 0 HG LEU B 38 8.443 -5.262 -6.041 1.00 0.44 H new ATOM 0 HD11 LEU B 38 9.885 -3.402 -5.290 1.00 0.51 H new ATOM 0 HD12 LEU B 38 10.769 -4.945 -5.369 1.00 0.51 H new ATOM 0 HD13 LEU B 38 10.990 -3.726 -6.647 1.00 0.51 H new ATOM 0 HD21 LEU B 38 8.015 -2.956 -6.791 1.00 0.47 H new ATOM 0 HD22 LEU B 38 9.018 -3.249 -8.232 1.00 0.47 H new ATOM 0 HD23 LEU B 38 7.508 -4.161 -7.999 1.00 0.47 H new ATOM 1462 N SER B 39 12.062 -7.419 -8.480 1.00 0.47 N ATOM 1463 CA SER B 39 12.750 -8.629 -8.909 1.00 0.54 C ATOM 1464 C SER B 39 11.739 -9.759 -9.131 1.00 0.48 C ATOM 1465 O SER B 39 10.559 -9.598 -8.823 1.00 0.45 O ATOM 1466 CB SER B 39 13.798 -9.036 -7.868 1.00 0.67 C ATOM 1467 OG SER B 39 14.626 -10.081 -8.351 1.00 1.42 O ATOM 0 H SER B 39 12.155 -7.211 -7.486 1.00 0.47 H new ATOM 0 HA SER B 39 13.260 -8.433 -9.852 1.00 0.54 H new ATOM 0 HB2 SER B 39 14.412 -8.173 -7.610 1.00 0.67 H new ATOM 0 HB3 SER B 39 13.299 -9.357 -6.954 1.00 0.67 H new ATOM 0 HG SER B 39 15.286 -10.319 -7.666 1.00 1.42 H new ATOM 1473 N SER B 40 12.198 -10.894 -9.649 1.00 0.59 N ATOM 1474 CA SER B 40 11.304 -11.984 -10.035 1.00 0.61 C ATOM 1475 C SER B 40 10.471 -12.475 -8.850 1.00 0.53 C ATOM 1476 O SER B 40 9.241 -12.537 -8.929 1.00 0.49 O ATOM 1477 CB SER B 40 12.107 -13.143 -10.628 1.00 0.77 C ATOM 1478 OG SER B 40 11.256 -14.143 -11.167 1.00 1.63 O ATOM 0 H SER B 40 13.187 -11.085 -9.812 1.00 0.59 H new ATOM 0 HA SER B 40 10.618 -11.598 -10.789 1.00 0.61 H new ATOM 0 HB2 SER B 40 12.768 -12.767 -11.409 1.00 0.77 H new ATOM 0 HB3 SER B 40 12.741 -13.580 -9.857 1.00 0.77 H new ATOM 0 HG SER B 40 11.799 -14.869 -11.540 1.00 1.63 H new ATOM 1484 N ASP B 41 11.142 -12.808 -7.750 1.00 0.57 N ATOM 1485 CA ASP B 41 10.459 -13.306 -6.558 1.00 0.58 C ATOM 1486 C ASP B 41 9.549 -12.233 -5.975 1.00 0.53 C ATOM 1487 O ASP B 41 8.431 -12.514 -5.533 1.00 0.55 O ATOM 1488 CB ASP B 41 11.477 -13.752 -5.506 1.00 0.71 C ATOM 1489 CG ASP B 41 10.819 -14.267 -4.242 1.00 1.26 C ATOM 1490 OD1 ASP B 41 10.356 -15.430 -4.235 1.00 1.69 O ATOM 1491 OD2 ASP B 41 10.762 -13.517 -3.248 1.00 2.21 O ATOM 0 H ASP B 41 12.156 -12.742 -7.659 1.00 0.57 H new ATOM 0 HA ASP B 41 9.851 -14.163 -6.847 1.00 0.58 H new ATOM 0 HB2 ASP B 41 12.110 -14.533 -5.926 1.00 0.71 H new ATOM 0 HB3 ASP B 41 12.128 -12.914 -5.257 1.00 0.71 H new ATOM 1496 N ALA B 42 10.033 -10.999 -5.994 1.00 0.51 N ATOM 1497 CA ALA B 42 9.271 -9.862 -5.506 1.00 0.50 C ATOM 1498 C ALA B 42 8.024 -9.641 -6.357 1.00 0.47 C ATOM 1499 O ALA B 42 6.965 -9.290 -5.841 1.00 0.52 O ATOM 1500 CB ALA B 42 10.143 -8.620 -5.505 1.00 0.54 C ATOM 0 H ALA B 42 10.960 -10.760 -6.346 1.00 0.51 H new ATOM 0 HA ALA B 42 8.949 -10.069 -4.485 1.00 0.50 H new ATOM 0 HB1 ALA B 42 9.566 -7.771 -5.138 1.00 0.54 H new ATOM 0 HB2 ALA B 42 11.004 -8.781 -4.857 1.00 0.54 H new ATOM 0 HB3 ALA B 42 10.485 -8.415 -6.519 1.00 0.54 H new ATOM 1506 N GLN B 43 8.167 -9.851 -7.660 1.00 0.44 N ATOM 1507 CA GLN B 43 7.047 -9.774 -8.591 1.00 0.45 C ATOM 1508 C GLN B 43 5.946 -10.741 -8.191 1.00 0.45 C ATOM 1509 O GLN B 43 4.809 -10.342 -7.940 1.00 0.48 O ATOM 1510 CB GLN B 43 7.517 -10.096 -10.005 1.00 0.49 C ATOM 1511 CG GLN B 43 8.096 -8.908 -10.750 1.00 0.82 C ATOM 1512 CD GLN B 43 8.746 -9.316 -12.052 1.00 0.85 C ATOM 1513 OE1 GLN B 43 9.953 -9.548 -12.119 1.00 1.57 O ATOM 1514 NE2 GLN B 43 7.939 -9.452 -13.083 1.00 1.12 N ATOM 0 H GLN B 43 9.059 -10.079 -8.100 1.00 0.44 H new ATOM 0 HA GLN B 43 6.651 -8.759 -8.562 1.00 0.45 H new ATOM 0 HB2 GLN B 43 8.270 -10.883 -9.956 1.00 0.49 H new ATOM 0 HB3 GLN B 43 6.677 -10.494 -10.574 1.00 0.49 H new ATOM 0 HG2 GLN B 43 7.305 -8.186 -10.951 1.00 0.82 H new ATOM 0 HG3 GLN B 43 8.831 -8.408 -10.119 1.00 0.82 H new ATOM 0 HE21 GLN B 43 6.945 -9.249 -12.983 1.00 1.12 H new ATOM 0 HE22 GLN B 43 8.308 -9.761 -13.982 1.00 1.12 H new ATOM 1523 N GLU B 44 6.299 -12.015 -8.154 1.00 0.49 N ATOM 1524 CA GLU B 44 5.400 -13.066 -7.682 1.00 0.54 C ATOM 1525 C GLU B 44 4.732 -12.665 -6.366 1.00 0.51 C ATOM 1526 O GLU B 44 3.524 -12.832 -6.192 1.00 0.50 O ATOM 1527 CB GLU B 44 6.177 -14.368 -7.479 1.00 0.68 C ATOM 1528 CG GLU B 44 6.939 -14.829 -8.711 1.00 1.20 C ATOM 1529 CD GLU B 44 6.035 -15.076 -9.897 1.00 1.65 C ATOM 1530 OE1 GLU B 44 5.370 -16.131 -9.932 1.00 2.36 O ATOM 1531 OE2 GLU B 44 5.992 -14.220 -10.804 1.00 2.20 O ATOM 0 H GLU B 44 7.215 -12.354 -8.449 1.00 0.49 H new ATOM 0 HA GLU B 44 4.627 -13.213 -8.437 1.00 0.54 H new ATOM 0 HB2 GLU B 44 6.881 -14.235 -6.657 1.00 0.68 H new ATOM 0 HB3 GLU B 44 5.481 -15.152 -7.180 1.00 0.68 H new ATOM 0 HG2 GLU B 44 7.682 -14.077 -8.976 1.00 1.20 H new ATOM 0 HG3 GLU B 44 7.482 -15.745 -8.476 1.00 1.20 H new ATOM 1538 N SER B 45 5.529 -12.118 -5.457 1.00 0.54 N ATOM 1539 CA SER B 45 5.046 -11.719 -4.143 1.00 0.59 C ATOM 1540 C SER B 45 4.023 -10.582 -4.249 1.00 0.55 C ATOM 1541 O SER B 45 3.078 -10.518 -3.457 1.00 0.58 O ATOM 1542 CB SER B 45 6.228 -11.300 -3.261 1.00 0.71 C ATOM 1543 OG SER B 45 5.841 -11.175 -1.904 1.00 1.04 O ATOM 0 H SER B 45 6.522 -11.940 -5.609 1.00 0.54 H new ATOM 0 HA SER B 45 4.544 -12.572 -3.686 1.00 0.59 H new ATOM 0 HB2 SER B 45 7.027 -12.036 -3.347 1.00 0.71 H new ATOM 0 HB3 SER B 45 6.630 -10.351 -3.615 1.00 0.71 H new ATOM 0 HG SER B 45 6.000 -10.256 -1.602 1.00 1.04 H new ATOM 1549 N LEU B 46 4.198 -9.695 -5.230 1.00 0.56 N ATOM 1550 CA LEU B 46 3.262 -8.590 -5.426 1.00 0.60 C ATOM 1551 C LEU B 46 1.886 -9.114 -5.786 1.00 0.50 C ATOM 1552 O LEU B 46 0.894 -8.678 -5.222 1.00 0.48 O ATOM 1553 CB LEU B 46 3.723 -7.623 -6.523 1.00 0.74 C ATOM 1554 CG LEU B 46 5.002 -6.837 -6.236 1.00 0.75 C ATOM 1555 CD1 LEU B 46 5.202 -5.738 -7.267 1.00 1.28 C ATOM 1556 CD2 LEU B 46 4.970 -6.246 -4.836 1.00 1.14 C ATOM 0 H LEU B 46 4.972 -9.720 -5.894 1.00 0.56 H new ATOM 0 HA LEU B 46 3.224 -8.047 -4.482 1.00 0.60 H new ATOM 0 HB2 LEU B 46 3.869 -8.191 -7.442 1.00 0.74 H new ATOM 0 HB3 LEU B 46 2.919 -6.912 -6.713 1.00 0.74 H new ATOM 0 HG LEU B 46 5.842 -7.528 -6.300 1.00 0.75 H new ATOM 0 HD11 LEU B 46 6.118 -5.191 -7.043 1.00 1.28 H new ATOM 0 HD12 LEU B 46 5.277 -6.180 -8.260 1.00 1.28 H new ATOM 0 HD13 LEU B 46 4.355 -5.053 -7.238 1.00 1.28 H new ATOM 0 HD21 LEU B 46 5.890 -5.691 -4.654 1.00 1.14 H new ATOM 0 HD22 LEU B 46 4.117 -5.574 -4.744 1.00 1.14 H new ATOM 0 HD23 LEU B 46 4.880 -7.049 -4.104 1.00 1.14 H new ATOM 1568 N GLU B 47 1.834 -10.063 -6.715 1.00 0.49 N ATOM 1569 CA GLU B 47 0.562 -10.605 -7.179 1.00 0.48 C ATOM 1570 C GLU B 47 -0.190 -11.271 -6.030 1.00 0.43 C ATOM 1571 O GLU B 47 -1.417 -11.163 -5.926 1.00 0.45 O ATOM 1572 CB GLU B 47 0.781 -11.600 -8.319 1.00 0.55 C ATOM 1573 CG GLU B 47 -0.513 -12.077 -8.959 1.00 0.81 C ATOM 1574 CD GLU B 47 -0.280 -13.041 -10.100 1.00 1.06 C ATOM 1575 OE1 GLU B 47 -0.215 -14.264 -9.852 1.00 1.75 O ATOM 1576 OE2 GLU B 47 -0.165 -12.583 -11.255 1.00 1.52 O ATOM 0 H GLU B 47 2.656 -10.472 -7.160 1.00 0.49 H new ATOM 0 HA GLU B 47 -0.042 -9.779 -7.555 1.00 0.48 H new ATOM 0 HB2 GLU B 47 1.406 -11.136 -9.082 1.00 0.55 H new ATOM 0 HB3 GLU B 47 1.329 -12.462 -7.939 1.00 0.55 H new ATOM 0 HG2 GLU B 47 -1.131 -12.559 -8.202 1.00 0.81 H new ATOM 0 HG3 GLU B 47 -1.071 -11.215 -9.325 1.00 0.81 H new ATOM 1583 N VAL B 48 0.550 -11.954 -5.164 1.00 0.41 N ATOM 1584 CA VAL B 48 -0.036 -12.568 -3.980 1.00 0.42 C ATOM 1585 C VAL B 48 -0.593 -11.491 -3.052 1.00 0.41 C ATOM 1586 O VAL B 48 -1.739 -11.571 -2.604 1.00 0.43 O ATOM 1587 CB VAL B 48 0.993 -13.424 -3.211 1.00 0.45 C ATOM 1588 CG1 VAL B 48 0.350 -14.102 -2.012 1.00 0.49 C ATOM 1589 CG2 VAL B 48 1.623 -14.460 -4.127 1.00 0.48 C ATOM 0 H VAL B 48 1.555 -12.096 -5.260 1.00 0.41 H new ATOM 0 HA VAL B 48 -0.841 -13.222 -4.315 1.00 0.42 H new ATOM 0 HB VAL B 48 1.777 -12.759 -2.849 1.00 0.45 H new ATOM 0 HG11 VAL B 48 1.096 -14.699 -1.488 1.00 0.49 H new ATOM 0 HG12 VAL B 48 -0.049 -13.345 -1.337 1.00 0.49 H new ATOM 0 HG13 VAL B 48 -0.459 -14.749 -2.351 1.00 0.49 H new ATOM 0 HG21 VAL B 48 2.345 -15.052 -3.564 1.00 0.48 H new ATOM 0 HG22 VAL B 48 0.847 -15.115 -4.524 1.00 0.48 H new ATOM 0 HG23 VAL B 48 2.129 -13.957 -4.951 1.00 0.48 H new ATOM 1599 N ALA B 49 0.222 -10.472 -2.790 1.00 0.41 N ATOM 1600 CA ALA B 49 -0.178 -9.361 -1.934 1.00 0.43 C ATOM 1601 C ALA B 49 -1.375 -8.618 -2.519 1.00 0.43 C ATOM 1602 O ALA B 49 -2.272 -8.207 -1.790 1.00 0.48 O ATOM 1603 CB ALA B 49 0.984 -8.402 -1.732 1.00 0.44 C ATOM 0 H ALA B 49 1.169 -10.394 -3.161 1.00 0.41 H new ATOM 0 HA ALA B 49 -0.471 -9.772 -0.968 1.00 0.43 H new ATOM 0 HB1 ALA B 49 0.669 -7.579 -1.091 1.00 0.44 H new ATOM 0 HB2 ALA B 49 1.814 -8.930 -1.263 1.00 0.44 H new ATOM 0 HB3 ALA B 49 1.303 -8.009 -2.697 1.00 0.44 H new ATOM 1609 N ILE B 50 -1.374 -8.464 -3.838 1.00 0.40 N ATOM 1610 CA ILE B 50 -2.452 -7.790 -4.551 1.00 0.41 C ATOM 1611 C ILE B 50 -3.804 -8.423 -4.233 1.00 0.38 C ATOM 1612 O ILE B 50 -4.732 -7.737 -3.809 1.00 0.41 O ATOM 1613 CB ILE B 50 -2.202 -7.811 -6.081 1.00 0.43 C ATOM 1614 CG1 ILE B 50 -1.139 -6.774 -6.463 1.00 0.53 C ATOM 1615 CG2 ILE B 50 -3.493 -7.572 -6.853 1.00 0.47 C ATOM 1616 CD1 ILE B 50 -0.745 -6.807 -7.928 1.00 0.62 C ATOM 0 H ILE B 50 -0.626 -8.803 -4.443 1.00 0.40 H new ATOM 0 HA ILE B 50 -2.469 -6.753 -4.214 1.00 0.41 H new ATOM 0 HB ILE B 50 -1.833 -8.801 -6.351 1.00 0.43 H new ATOM 0 HG12 ILE B 50 -1.512 -5.779 -6.220 1.00 0.53 H new ATOM 0 HG13 ILE B 50 -0.250 -6.938 -5.854 1.00 0.53 H new ATOM 0 HG21 ILE B 50 -3.286 -7.592 -7.923 1.00 0.47 H new ATOM 0 HG22 ILE B 50 -4.213 -8.352 -6.608 1.00 0.47 H new ATOM 0 HG23 ILE B 50 -3.905 -6.600 -6.581 1.00 0.47 H new ATOM 0 HD11 ILE B 50 0.010 -6.045 -8.119 1.00 0.62 H new ATOM 0 HD12 ILE B 50 -0.340 -7.789 -8.174 1.00 0.62 H new ATOM 0 HD13 ILE B 50 -1.622 -6.611 -8.545 1.00 0.62 H new ATOM 1628 N GLN B 51 -3.899 -9.736 -4.411 1.00 0.39 N ATOM 1629 CA GLN B 51 -5.146 -10.448 -4.156 1.00 0.43 C ATOM 1630 C GLN B 51 -5.517 -10.392 -2.679 1.00 0.43 C ATOM 1631 O GLN B 51 -6.697 -10.332 -2.327 1.00 0.47 O ATOM 1632 CB GLN B 51 -5.042 -11.900 -4.624 1.00 0.51 C ATOM 1633 CG GLN B 51 -4.951 -12.042 -6.134 1.00 0.78 C ATOM 1634 CD GLN B 51 -6.170 -11.482 -6.842 1.00 1.02 C ATOM 1635 OE1 GLN B 51 -6.120 -10.209 -7.196 1.00 1.84 O flip ATOM 1636 NE2 GLN B 51 -7.152 -12.191 -7.070 1.00 1.35 N flip ATOM 0 H GLN B 51 -3.131 -10.327 -4.729 1.00 0.39 H new ATOM 0 HA GLN B 51 -5.935 -9.955 -4.723 1.00 0.43 H new ATOM 0 HB2 GLN B 51 -4.164 -12.358 -4.170 1.00 0.51 H new ATOM 0 HB3 GLN B 51 -5.911 -12.452 -4.266 1.00 0.51 H new ATOM 0 HG2 GLN B 51 -4.059 -11.528 -6.491 1.00 0.78 H new ATOM 0 HG3 GLN B 51 -4.837 -13.095 -6.391 1.00 0.78 H new ATOM 0 HE21 GLN B 51 -7.153 -13.169 -6.781 1.00 1.35 H new ATOM 0 HE22 GLN B 51 -7.964 -11.800 -7.548 1.00 1.35 H new ATOM 1645 N CYS B 52 -4.510 -10.396 -1.818 1.00 0.45 N ATOM 1646 CA CYS B 52 -4.742 -10.312 -0.386 1.00 0.52 C ATOM 1647 C CYS B 52 -5.296 -8.938 -0.008 1.00 0.53 C ATOM 1648 O CYS B 52 -6.291 -8.842 0.707 1.00 0.59 O ATOM 1649 CB CYS B 52 -3.453 -10.603 0.379 1.00 0.59 C ATOM 1650 SG CYS B 52 -2.774 -12.249 0.067 1.00 0.69 S ATOM 0 H CYS B 52 -3.528 -10.456 -2.086 1.00 0.45 H new ATOM 0 HA CYS B 52 -5.483 -11.063 -0.112 1.00 0.52 H new ATOM 0 HB2 CYS B 52 -2.706 -9.856 0.111 1.00 0.59 H new ATOM 0 HB3 CYS B 52 -3.643 -10.495 1.447 1.00 0.59 H new ATOM 0 HG CYS B 52 -2.292 -12.298 -1.140 1.00 0.69 H new ATOM 1656 N LEU B 53 -4.666 -7.880 -0.513 1.00 0.49 N ATOM 1657 CA LEU B 53 -5.120 -6.514 -0.253 1.00 0.53 C ATOM 1658 C LEU B 53 -6.509 -6.295 -0.837 1.00 0.50 C ATOM 1659 O LEU B 53 -7.373 -5.685 -0.203 1.00 0.57 O ATOM 1660 CB LEU B 53 -4.147 -5.496 -0.854 1.00 0.63 C ATOM 1661 CG LEU B 53 -2.747 -5.474 -0.236 1.00 0.54 C ATOM 1662 CD1 LEU B 53 -1.834 -4.552 -1.028 1.00 0.76 C ATOM 1663 CD2 LEU B 53 -2.810 -5.035 1.220 1.00 0.61 C ATOM 0 H LEU B 53 -3.838 -7.942 -1.106 1.00 0.49 H new ATOM 0 HA LEU B 53 -5.158 -6.372 0.827 1.00 0.53 H new ATOM 0 HB2 LEU B 53 -4.051 -5.698 -1.921 1.00 0.63 H new ATOM 0 HB3 LEU B 53 -4.583 -4.502 -0.756 1.00 0.63 H new ATOM 0 HG LEU B 53 -2.339 -6.484 -0.273 1.00 0.54 H new ATOM 0 HD11 LEU B 53 -0.842 -4.547 -0.577 1.00 0.76 H new ATOM 0 HD12 LEU B 53 -1.763 -4.906 -2.056 1.00 0.76 H new ATOM 0 HD13 LEU B 53 -2.242 -3.541 -1.020 1.00 0.76 H new ATOM 0 HD21 LEU B 53 -1.805 -5.026 1.641 1.00 0.61 H new ATOM 0 HD22 LEU B 53 -3.238 -4.034 1.280 1.00 0.61 H new ATOM 0 HD23 LEU B 53 -3.433 -5.730 1.783 1.00 0.61 H new ATOM 1675 N GLU B 54 -6.712 -6.810 -2.045 1.00 0.46 N ATOM 1676 CA GLU B 54 -7.984 -6.688 -2.741 1.00 0.50 C ATOM 1677 C GLU B 54 -9.112 -7.272 -1.892 1.00 0.56 C ATOM 1678 O GLU B 54 -10.110 -6.606 -1.616 1.00 0.65 O ATOM 1679 CB GLU B 54 -7.904 -7.405 -4.093 1.00 0.55 C ATOM 1680 CG GLU B 54 -9.037 -7.059 -5.041 1.00 0.73 C ATOM 1681 CD GLU B 54 -8.912 -7.744 -6.385 1.00 1.06 C ATOM 1682 OE1 GLU B 54 -8.138 -7.258 -7.232 1.00 1.62 O ATOM 1683 OE2 GLU B 54 -9.598 -8.766 -6.606 1.00 1.66 O ATOM 0 H GLU B 54 -6.000 -7.322 -2.566 1.00 0.46 H new ATOM 0 HA GLU B 54 -8.196 -5.633 -2.912 1.00 0.50 H new ATOM 0 HB2 GLU B 54 -6.956 -7.156 -4.570 1.00 0.55 H new ATOM 0 HB3 GLU B 54 -7.902 -8.482 -3.923 1.00 0.55 H new ATOM 0 HG2 GLU B 54 -9.985 -7.340 -4.583 1.00 0.73 H new ATOM 0 HG3 GLU B 54 -9.062 -5.980 -5.190 1.00 0.73 H new ATOM 1690 N THR B 55 -8.919 -8.505 -1.447 1.00 0.61 N ATOM 1691 CA THR B 55 -9.914 -9.199 -0.643 1.00 0.77 C ATOM 1692 C THR B 55 -10.053 -8.559 0.739 1.00 0.83 C ATOM 1693 O THR B 55 -11.145 -8.508 1.308 1.00 0.98 O ATOM 1694 CB THR B 55 -9.536 -10.683 -0.480 1.00 0.95 C ATOM 1695 OG1 THR B 55 -9.157 -11.227 -1.752 1.00 0.99 O ATOM 1696 CG2 THR B 55 -10.697 -11.483 0.087 1.00 1.15 C ATOM 0 H THR B 55 -8.076 -9.049 -1.631 1.00 0.61 H new ATOM 0 HA THR B 55 -10.869 -9.121 -1.163 1.00 0.77 H new ATOM 0 HB THR B 55 -8.699 -10.748 0.216 1.00 0.95 H new ATOM 0 HG1 THR B 55 -8.208 -11.047 -1.915 1.00 0.99 H new ATOM 0 HG21 THR B 55 -10.403 -12.527 0.192 1.00 1.15 H new ATOM 0 HG22 THR B 55 -10.972 -11.084 1.063 1.00 1.15 H new ATOM 0 HG23 THR B 55 -11.551 -11.413 -0.587 1.00 1.15 H new ATOM 1704 N ALA B 56 -8.942 -8.055 1.264 1.00 0.76 N ATOM 1705 CA ALA B 56 -8.914 -7.467 2.597 1.00 0.87 C ATOM 1706 C ALA B 56 -9.778 -6.215 2.677 1.00 0.88 C ATOM 1707 O ALA B 56 -10.686 -6.129 3.500 1.00 1.14 O ATOM 1708 CB ALA B 56 -7.488 -7.146 2.998 1.00 0.89 C ATOM 0 H ALA B 56 -8.043 -8.042 0.782 1.00 0.76 H new ATOM 0 HA ALA B 56 -9.326 -8.199 3.291 1.00 0.87 H new ATOM 0 HB1 ALA B 56 -7.481 -6.707 3.996 1.00 0.89 H new ATOM 0 HB2 ALA B 56 -6.896 -8.061 3.000 1.00 0.89 H new ATOM 0 HB3 ALA B 56 -7.061 -6.439 2.287 1.00 0.89 H new ATOM 1714 N PHE B 57 -9.504 -5.251 1.809 1.00 0.76 N ATOM 1715 CA PHE B 57 -10.224 -3.990 1.823 1.00 1.05 C ATOM 1716 C PHE B 57 -11.609 -4.129 1.194 1.00 1.57 C ATOM 1717 O PHE B 57 -12.404 -3.186 1.198 1.00 2.06 O ATOM 1718 CB PHE B 57 -9.417 -2.926 1.085 1.00 1.04 C ATOM 1719 CG PHE B 57 -8.202 -2.450 1.832 1.00 0.92 C ATOM 1720 CD1 PHE B 57 -6.983 -3.097 1.693 1.00 1.49 C ATOM 1721 CD2 PHE B 57 -8.276 -1.344 2.662 1.00 1.47 C ATOM 1722 CE1 PHE B 57 -5.864 -2.648 2.368 1.00 1.50 C ATOM 1723 CE2 PHE B 57 -7.160 -0.889 3.337 1.00 1.47 C ATOM 1724 CZ PHE B 57 -5.953 -1.541 3.189 1.00 0.92 C ATOM 0 H PHE B 57 -8.787 -5.320 1.087 1.00 0.76 H new ATOM 0 HA PHE B 57 -10.359 -3.689 2.862 1.00 1.05 H new ATOM 0 HB2 PHE B 57 -9.104 -3.326 0.121 1.00 1.04 H new ATOM 0 HB3 PHE B 57 -10.063 -2.072 0.881 1.00 1.04 H new ATOM 0 HD1 PHE B 57 -6.908 -3.961 1.050 1.00 1.49 H new ATOM 0 HD2 PHE B 57 -9.218 -0.831 2.783 1.00 1.47 H new ATOM 0 HE1 PHE B 57 -4.921 -3.162 2.254 1.00 1.50 H new ATOM 0 HE2 PHE B 57 -7.232 -0.024 3.980 1.00 1.47 H new ATOM 0 HZ PHE B 57 -5.079 -1.186 3.715 1.00 0.92 H new ATOM 1734 N GLY B 58 -11.890 -5.311 0.652 1.00 1.71 N ATOM 1735 CA GLY B 58 -13.182 -5.566 0.046 1.00 2.29 C ATOM 1736 C GLY B 58 -13.329 -4.875 -1.291 1.00 2.05 C ATOM 1737 O GLY B 58 -14.441 -4.594 -1.739 1.00 2.60 O ATOM 0 H GLY B 58 -11.242 -6.098 0.623 1.00 1.71 H new ATOM 0 HA2 GLY B 58 -13.315 -6.640 -0.085 1.00 2.29 H new ATOM 0 HA3 GLY B 58 -13.970 -5.227 0.718 1.00 2.29 H new ATOM 1741 N VAL B 59 -12.203 -4.606 -1.930 1.00 1.35 N ATOM 1742 CA VAL B 59 -12.195 -3.902 -3.200 1.00 1.13 C ATOM 1743 C VAL B 59 -12.071 -4.878 -4.356 1.00 1.04 C ATOM 1744 O VAL B 59 -11.652 -6.018 -4.172 1.00 1.22 O ATOM 1745 CB VAL B 59 -11.050 -2.868 -3.276 1.00 0.93 C ATOM 1746 CG1 VAL B 59 -11.300 -1.732 -2.305 1.00 1.23 C ATOM 1747 CG2 VAL B 59 -9.704 -3.515 -2.991 1.00 1.00 C ATOM 0 H VAL B 59 -11.278 -4.866 -1.587 1.00 1.35 H new ATOM 0 HA VAL B 59 -13.144 -3.370 -3.274 1.00 1.13 H new ATOM 0 HB VAL B 59 -11.026 -2.469 -4.290 1.00 0.93 H new ATOM 0 HG11 VAL B 59 -10.485 -1.012 -2.370 1.00 1.23 H new ATOM 0 HG12 VAL B 59 -12.240 -1.240 -2.555 1.00 1.23 H new ATOM 0 HG13 VAL B 59 -11.356 -2.126 -1.290 1.00 1.23 H new ATOM 0 HG21 VAL B 59 -8.918 -2.762 -3.052 1.00 1.00 H new ATOM 0 HG22 VAL B 59 -9.714 -3.950 -1.991 1.00 1.00 H new ATOM 0 HG23 VAL B 59 -9.514 -4.298 -3.725 1.00 1.00 H new ATOM 1757 N THR B 60 -12.471 -4.437 -5.535 1.00 1.17 N ATOM 1758 CA THR B 60 -12.351 -5.238 -6.739 1.00 1.30 C ATOM 1759 C THR B 60 -11.948 -4.356 -7.914 1.00 1.16 C ATOM 1760 O THR B 60 -11.613 -3.185 -7.726 1.00 1.14 O ATOM 1761 CB THR B 60 -13.668 -5.968 -7.077 1.00 1.94 C ATOM 1762 OG1 THR B 60 -14.753 -5.034 -7.126 1.00 2.24 O ATOM 1763 CG2 THR B 60 -13.977 -7.052 -6.058 1.00 2.38 C ATOM 0 H THR B 60 -12.886 -3.517 -5.684 1.00 1.17 H new ATOM 0 HA THR B 60 -11.583 -5.990 -6.556 1.00 1.30 H new ATOM 0 HB THR B 60 -13.545 -6.438 -8.053 1.00 1.94 H new ATOM 0 HG1 THR B 60 -15.583 -5.508 -7.343 1.00 2.24 H new ATOM 0 HG21 THR B 60 -14.911 -7.547 -6.325 1.00 2.38 H new ATOM 0 HG22 THR B 60 -13.169 -7.783 -6.048 1.00 2.38 H new ATOM 0 HG23 THR B 60 -14.073 -6.605 -5.069 1.00 2.38 H new ATOM 1771 N VAL B 61 -11.974 -4.908 -9.118 1.00 1.40 N ATOM 1772 CA VAL B 61 -11.697 -4.126 -10.318 1.00 1.59 C ATOM 1773 C VAL B 61 -12.757 -3.028 -10.507 1.00 1.83 C ATOM 1774 O VAL B 61 -12.520 -2.021 -11.180 1.00 2.11 O ATOM 1775 CB VAL B 61 -11.618 -5.035 -11.568 1.00 1.80 C ATOM 1776 CG1 VAL B 61 -12.945 -5.736 -11.823 1.00 2.21 C ATOM 1777 CG2 VAL B 61 -11.173 -4.249 -12.793 1.00 1.95 C ATOM 0 H VAL B 61 -12.183 -5.891 -9.292 1.00 1.40 H new ATOM 0 HA VAL B 61 -10.727 -3.646 -10.191 1.00 1.59 H new ATOM 0 HB VAL B 61 -10.868 -5.801 -11.372 1.00 1.80 H new ATOM 0 HG11 VAL B 61 -12.859 -6.367 -12.707 1.00 2.21 H new ATOM 0 HG12 VAL B 61 -13.203 -6.352 -10.961 1.00 2.21 H new ATOM 0 HG13 VAL B 61 -13.725 -4.992 -11.983 1.00 2.21 H new ATOM 0 HG21 VAL B 61 -11.127 -4.914 -13.655 1.00 1.95 H new ATOM 0 HG22 VAL B 61 -11.886 -3.448 -12.990 1.00 1.95 H new ATOM 0 HG23 VAL B 61 -10.187 -3.821 -12.612 1.00 1.95 H new ATOM 1787 N GLU B 62 -13.914 -3.208 -9.875 1.00 1.89 N ATOM 1788 CA GLU B 62 -14.967 -2.198 -9.898 1.00 2.15 C ATOM 1789 C GLU B 62 -14.485 -0.919 -9.215 1.00 1.63 C ATOM 1790 O GLU B 62 -14.774 0.198 -9.657 1.00 1.65 O ATOM 1791 CB GLU B 62 -16.222 -2.725 -9.198 1.00 2.86 C ATOM 1792 CG GLU B 62 -16.825 -3.952 -9.861 1.00 3.13 C ATOM 1793 CD GLU B 62 -17.241 -3.690 -11.290 1.00 3.56 C ATOM 1794 OE1 GLU B 62 -18.187 -2.903 -11.504 1.00 4.00 O ATOM 1795 OE2 GLU B 62 -16.619 -4.257 -12.209 1.00 3.97 O ATOM 0 H GLU B 62 -14.146 -4.045 -9.340 1.00 1.89 H new ATOM 0 HA GLU B 62 -15.212 -1.973 -10.936 1.00 2.15 H new ATOM 0 HB2 GLU B 62 -15.976 -2.967 -8.164 1.00 2.86 H new ATOM 0 HB3 GLU B 62 -16.971 -1.933 -9.171 1.00 2.86 H new ATOM 0 HG2 GLU B 62 -16.100 -4.766 -9.840 1.00 3.13 H new ATOM 0 HG3 GLU B 62 -17.692 -4.282 -9.288 1.00 3.13 H new ATOM 1802 N ASP B 63 -13.721 -1.092 -8.145 1.00 1.36 N ATOM 1803 CA ASP B 63 -13.149 0.035 -7.426 1.00 1.61 C ATOM 1804 C ASP B 63 -12.098 0.723 -8.283 1.00 1.59 C ATOM 1805 O ASP B 63 -11.789 1.891 -8.087 1.00 1.93 O ATOM 1806 CB ASP B 63 -12.537 -0.425 -6.102 1.00 1.89 C ATOM 1807 CG ASP B 63 -13.574 -0.981 -5.148 1.00 2.88 C ATOM 1808 OD1 ASP B 63 -13.893 -2.182 -5.255 1.00 3.62 O ATOM 1809 OD2 ASP B 63 -14.067 -0.227 -4.286 1.00 3.35 O ATOM 0 H ASP B 63 -13.483 -2.005 -7.756 1.00 1.36 H new ATOM 0 HA ASP B 63 -13.945 0.746 -7.207 1.00 1.61 H new ATOM 0 HB2 ASP B 63 -11.783 -1.187 -6.299 1.00 1.89 H new ATOM 0 HB3 ASP B 63 -12.026 0.414 -5.630 1.00 1.89 H new ATOM 1814 N SER B 64 -11.564 -0.009 -9.249 1.00 1.56 N ATOM 1815 CA SER B 64 -10.609 0.555 -10.189 1.00 1.82 C ATOM 1816 C SER B 64 -11.326 1.494 -11.157 1.00 1.73 C ATOM 1817 O SER B 64 -10.721 2.409 -11.714 1.00 1.91 O ATOM 1818 CB SER B 64 -9.887 -0.562 -10.950 1.00 2.42 C ATOM 1819 OG SER B 64 -8.921 -0.039 -11.846 1.00 2.92 O ATOM 0 H SER B 64 -11.776 -0.995 -9.402 1.00 1.56 H new ATOM 0 HA SER B 64 -9.863 1.127 -9.638 1.00 1.82 H new ATOM 0 HB2 SER B 64 -9.402 -1.232 -10.241 1.00 2.42 H new ATOM 0 HB3 SER B 64 -10.614 -1.156 -11.503 1.00 2.42 H new ATOM 0 HG SER B 64 -8.290 -0.746 -12.097 1.00 2.92 H new ATOM 1825 N ASP B 65 -12.621 1.262 -11.357 1.00 1.68 N ATOM 1826 CA ASP B 65 -13.429 2.138 -12.205 1.00 2.03 C ATOM 1827 C ASP B 65 -13.601 3.500 -11.549 1.00 1.91 C ATOM 1828 O ASP B 65 -13.587 4.528 -12.221 1.00 2.28 O ATOM 1829 CB ASP B 65 -14.804 1.531 -12.494 1.00 2.26 C ATOM 1830 CG ASP B 65 -14.728 0.279 -13.338 1.00 2.89 C ATOM 1831 OD1 ASP B 65 -14.251 0.352 -14.490 1.00 3.35 O ATOM 1832 OD2 ASP B 65 -15.155 -0.788 -12.860 1.00 3.46 O ATOM 0 H ASP B 65 -13.132 0.480 -10.947 1.00 1.68 H new ATOM 0 HA ASP B 65 -12.901 2.253 -13.151 1.00 2.03 H new ATOM 0 HB2 ASP B 65 -15.298 1.298 -11.551 1.00 2.26 H new ATOM 0 HB3 ASP B 65 -15.422 2.270 -13.004 1.00 2.26 H new ATOM 1837 N LEU B 66 -13.743 3.505 -10.228 1.00 1.52 N ATOM 1838 CA LEU B 66 -13.870 4.755 -9.477 1.00 1.62 C ATOM 1839 C LEU B 66 -12.495 5.371 -9.183 1.00 1.45 C ATOM 1840 O LEU B 66 -12.317 6.085 -8.195 1.00 1.72 O ATOM 1841 CB LEU B 66 -14.697 4.552 -8.189 1.00 1.77 C ATOM 1842 CG LEU B 66 -14.224 3.453 -7.227 1.00 1.59 C ATOM 1843 CD1 LEU B 66 -13.221 3.992 -6.218 1.00 1.87 C ATOM 1844 CD2 LEU B 66 -15.409 2.833 -6.504 1.00 1.57 C ATOM 0 H LEU B 66 -13.773 2.662 -9.654 1.00 1.52 H new ATOM 0 HA LEU B 66 -14.413 5.465 -10.100 1.00 1.62 H new ATOM 0 HB2 LEU B 66 -14.714 5.496 -7.644 1.00 1.77 H new ATOM 0 HB3 LEU B 66 -15.725 4.332 -8.477 1.00 1.77 H new ATOM 0 HG LEU B 66 -13.728 2.685 -7.821 1.00 1.59 H new ATOM 0 HD11 LEU B 66 -12.907 3.188 -5.552 1.00 1.87 H new ATOM 0 HD12 LEU B 66 -12.352 4.388 -6.744 1.00 1.87 H new ATOM 0 HD13 LEU B 66 -13.684 4.787 -5.633 1.00 1.87 H new ATOM 0 HD21 LEU B 66 -15.056 2.056 -5.826 1.00 1.57 H new ATOM 0 HD22 LEU B 66 -15.930 3.602 -5.934 1.00 1.57 H new ATOM 0 HD23 LEU B 66 -16.092 2.396 -7.233 1.00 1.57 H new ATOM 1856 N ALA B 67 -11.531 5.079 -10.057 1.00 1.30 N ATOM 1857 CA ALA B 67 -10.156 5.566 -9.929 1.00 1.26 C ATOM 1858 C ALA B 67 -10.087 7.072 -9.685 1.00 1.28 C ATOM 1859 O ALA B 67 -10.880 7.847 -10.228 1.00 1.54 O ATOM 1860 CB ALA B 67 -9.367 5.210 -11.175 1.00 1.48 C ATOM 0 H ALA B 67 -11.683 4.494 -10.879 1.00 1.30 H new ATOM 0 HA ALA B 67 -9.721 5.078 -9.057 1.00 1.26 H new ATOM 0 HB1 ALA B 67 -8.345 5.575 -11.075 1.00 1.48 H new ATOM 0 HB2 ALA B 67 -9.355 4.127 -11.301 1.00 1.48 H new ATOM 0 HB3 ALA B 67 -9.833 5.672 -12.045 1.00 1.48 H new ATOM 1866 N LEU B 68 -9.133 7.473 -8.859 1.00 1.16 N ATOM 1867 CA LEU B 68 -8.920 8.873 -8.528 1.00 1.29 C ATOM 1868 C LEU B 68 -8.111 9.567 -9.625 1.00 1.56 C ATOM 1869 O LEU B 68 -7.481 8.889 -10.438 1.00 1.55 O ATOM 1870 CB LEU B 68 -8.212 8.971 -7.172 1.00 1.25 C ATOM 1871 CG LEU B 68 -9.063 8.539 -5.974 1.00 1.19 C ATOM 1872 CD1 LEU B 68 -8.220 8.470 -4.712 1.00 1.21 C ATOM 1873 CD2 LEU B 68 -10.230 9.495 -5.777 1.00 1.18 C ATOM 0 H LEU B 68 -8.484 6.835 -8.399 1.00 1.16 H new ATOM 0 HA LEU B 68 -9.882 9.380 -8.459 1.00 1.29 H new ATOM 0 HB2 LEU B 68 -7.312 8.357 -7.202 1.00 1.25 H new ATOM 0 HB3 LEU B 68 -7.890 10.001 -7.019 1.00 1.25 H new ATOM 0 HG LEU B 68 -9.458 7.544 -6.179 1.00 1.19 H new ATOM 0 HD11 LEU B 68 -8.845 8.161 -3.874 1.00 1.21 H new ATOM 0 HD12 LEU B 68 -7.416 7.747 -4.851 1.00 1.21 H new ATOM 0 HD13 LEU B 68 -7.794 9.452 -4.505 1.00 1.21 H new ATOM 0 HD21 LEU B 68 -10.824 9.173 -4.922 1.00 1.18 H new ATOM 0 HD22 LEU B 68 -9.850 10.501 -5.597 1.00 1.18 H new ATOM 0 HD23 LEU B 68 -10.853 9.497 -6.671 1.00 1.18 H new ATOM 1885 N PRO B 69 -8.138 10.917 -9.682 1.00 1.93 N ATOM 1886 CA PRO B 69 -7.475 11.688 -10.748 1.00 2.36 C ATOM 1887 C PRO B 69 -6.037 11.245 -11.010 1.00 2.25 C ATOM 1888 O PRO B 69 -5.654 10.992 -12.156 1.00 2.62 O ATOM 1889 CB PRO B 69 -7.498 13.119 -10.213 1.00 2.75 C ATOM 1890 CG PRO B 69 -8.699 13.170 -9.335 1.00 2.57 C ATOM 1891 CD PRO B 69 -8.821 11.803 -8.716 1.00 2.06 C ATOM 0 HA PRO B 69 -7.980 11.557 -11.705 1.00 2.36 H new ATOM 0 HB2 PRO B 69 -6.590 13.349 -9.656 1.00 2.75 H new ATOM 0 HB3 PRO B 69 -7.568 13.845 -11.023 1.00 2.75 H new ATOM 0 HG2 PRO B 69 -8.589 13.937 -8.568 1.00 2.57 H new ATOM 0 HG3 PRO B 69 -9.591 13.419 -9.909 1.00 2.57 H new ATOM 0 HD2 PRO B 69 -8.349 11.765 -7.734 1.00 2.06 H new ATOM 0 HD3 PRO B 69 -9.864 11.517 -8.579 1.00 2.06 H new ATOM 1899 N GLN B 70 -5.251 11.135 -9.951 1.00 1.85 N ATOM 1900 CA GLN B 70 -3.872 10.696 -10.081 1.00 1.82 C ATOM 1901 C GLN B 70 -3.675 9.387 -9.336 1.00 1.41 C ATOM 1902 O GLN B 70 -4.478 9.029 -8.471 1.00 1.29 O ATOM 1903 CB GLN B 70 -2.911 11.764 -9.552 1.00 1.93 C ATOM 1904 CG GLN B 70 -2.830 11.841 -8.035 1.00 1.65 C ATOM 1905 CD GLN B 70 -1.857 12.903 -7.572 1.00 2.18 C ATOM 1906 OE1 GLN B 70 -0.657 12.655 -7.452 1.00 2.66 O ATOM 1907 NE2 GLN B 70 -2.368 14.082 -7.264 1.00 2.76 N ATOM 0 H GLN B 70 -5.543 11.343 -8.996 1.00 1.85 H new ATOM 0 HA GLN B 70 -3.653 10.539 -11.137 1.00 1.82 H new ATOM 0 HB2 GLN B 70 -1.915 11.567 -9.947 1.00 1.93 H new ATOM 0 HB3 GLN B 70 -3.220 12.736 -9.937 1.00 1.93 H new ATOM 0 HG2 GLN B 70 -3.819 12.054 -7.630 1.00 1.65 H new ATOM 0 HG3 GLN B 70 -2.525 10.872 -7.639 1.00 1.65 H new ATOM 0 HE21 GLN B 70 -3.368 14.250 -7.377 1.00 2.76 H new ATOM 0 HE22 GLN B 70 -1.763 14.824 -6.913 1.00 2.76 H new ATOM 1916 N THR B 71 -2.620 8.662 -9.682 1.00 1.34 N ATOM 1917 CA THR B 71 -2.317 7.420 -9.003 1.00 1.13 C ATOM 1918 C THR B 71 -1.778 7.720 -7.611 1.00 0.85 C ATOM 1919 O THR B 71 -1.053 8.692 -7.400 1.00 0.83 O ATOM 1920 CB THR B 71 -1.295 6.583 -9.800 1.00 1.22 C ATOM 1921 OG1 THR B 71 -0.150 7.380 -10.125 1.00 1.53 O ATOM 1922 CG2 THR B 71 -1.917 6.040 -11.076 1.00 1.55 C ATOM 0 H THR B 71 -1.967 8.914 -10.424 1.00 1.34 H new ATOM 0 HA THR B 71 -3.235 6.837 -8.922 1.00 1.13 H new ATOM 0 HB THR B 71 -0.987 5.743 -9.177 1.00 1.22 H new ATOM 0 HG1 THR B 71 0.493 6.839 -10.629 1.00 1.53 H new ATOM 0 HG21 THR B 71 -1.177 5.453 -11.620 1.00 1.55 H new ATOM 0 HG22 THR B 71 -2.768 5.407 -10.825 1.00 1.55 H new ATOM 0 HG23 THR B 71 -2.252 6.869 -11.699 1.00 1.55 H new ATOM 1930 N LEU B 72 -2.121 6.861 -6.671 1.00 0.80 N ATOM 1931 CA LEU B 72 -1.818 7.104 -5.270 1.00 0.66 C ATOM 1932 C LEU B 72 -0.367 6.784 -4.911 1.00 0.66 C ATOM 1933 O LEU B 72 0.217 7.485 -4.095 1.00 0.67 O ATOM 1934 CB LEU B 72 -2.805 6.357 -4.371 1.00 0.78 C ATOM 1935 CG LEU B 72 -4.141 7.080 -4.158 1.00 0.97 C ATOM 1936 CD1 LEU B 72 -4.851 7.331 -5.479 1.00 1.47 C ATOM 1937 CD2 LEU B 72 -5.036 6.287 -3.222 1.00 1.79 C ATOM 0 H LEU B 72 -2.611 5.985 -6.851 1.00 0.80 H new ATOM 0 HA LEU B 72 -1.936 8.173 -5.095 1.00 0.66 H new ATOM 0 HB2 LEU B 72 -3.002 5.376 -4.804 1.00 0.78 H new ATOM 0 HB3 LEU B 72 -2.338 6.189 -3.401 1.00 0.78 H new ATOM 0 HG LEU B 72 -3.925 8.046 -3.702 1.00 0.97 H new ATOM 0 HD11 LEU B 72 -5.794 7.845 -5.293 1.00 1.47 H new ATOM 0 HD12 LEU B 72 -4.221 7.949 -6.119 1.00 1.47 H new ATOM 0 HD13 LEU B 72 -5.047 6.379 -5.973 1.00 1.47 H new ATOM 0 HD21 LEU B 72 -5.978 6.817 -3.084 1.00 1.79 H new ATOM 0 HD22 LEU B 72 -5.232 5.304 -3.651 1.00 1.79 H new ATOM 0 HD23 LEU B 72 -4.541 6.170 -2.258 1.00 1.79 H new ATOM 1949 N PRO B 73 0.254 5.731 -5.477 1.00 0.75 N ATOM 1950 CA PRO B 73 1.705 5.551 -5.345 1.00 0.84 C ATOM 1951 C PRO B 73 2.471 6.804 -5.781 1.00 0.80 C ATOM 1952 O PRO B 73 3.529 7.114 -5.239 1.00 0.82 O ATOM 1953 CB PRO B 73 1.998 4.377 -6.274 1.00 1.03 C ATOM 1954 CG PRO B 73 0.733 3.595 -6.281 1.00 1.06 C ATOM 1955 CD PRO B 73 -0.372 4.610 -6.206 1.00 0.84 C ATOM 0 HA PRO B 73 2.015 5.372 -4.315 1.00 0.84 H new ATOM 0 HB2 PRO B 73 2.262 4.717 -7.275 1.00 1.03 H new ATOM 0 HB3 PRO B 73 2.834 3.780 -5.910 1.00 1.03 H new ATOM 0 HG2 PRO B 73 0.650 2.992 -7.185 1.00 1.06 H new ATOM 0 HG3 PRO B 73 0.692 2.908 -5.435 1.00 1.06 H new ATOM 0 HD2 PRO B 73 -0.710 4.912 -7.197 1.00 0.84 H new ATOM 0 HD3 PRO B 73 -1.242 4.221 -5.677 1.00 0.84 H new ATOM 1963 N GLU B 74 1.908 7.532 -6.744 1.00 0.78 N ATOM 1964 CA GLU B 74 2.490 8.788 -7.203 1.00 0.78 C ATOM 1965 C GLU B 74 2.260 9.880 -6.155 1.00 0.64 C ATOM 1966 O GLU B 74 3.112 10.748 -5.950 1.00 0.64 O ATOM 1967 CB GLU B 74 1.884 9.182 -8.552 1.00 0.86 C ATOM 1968 CG GLU B 74 2.551 10.378 -9.209 1.00 1.21 C ATOM 1969 CD GLU B 74 2.047 10.616 -10.617 1.00 1.47 C ATOM 1970 OE1 GLU B 74 2.625 10.043 -11.567 1.00 2.27 O ATOM 1971 OE2 GLU B 74 1.073 11.380 -10.787 1.00 1.67 O ATOM 0 H GLU B 74 1.046 7.270 -7.222 1.00 0.78 H new ATOM 0 HA GLU B 74 3.565 8.663 -7.337 1.00 0.78 H new ATOM 0 HB2 GLU B 74 1.945 8.329 -9.228 1.00 0.86 H new ATOM 0 HB3 GLU B 74 0.826 9.402 -8.412 1.00 0.86 H new ATOM 0 HG2 GLU B 74 2.371 11.268 -8.606 1.00 1.21 H new ATOM 0 HG3 GLU B 74 3.629 10.222 -9.233 1.00 1.21 H new ATOM 1978 N ILE B 75 1.096 9.824 -5.498 1.00 0.58 N ATOM 1979 CA ILE B 75 0.824 10.648 -4.319 1.00 0.53 C ATOM 1980 C ILE B 75 1.930 10.458 -3.291 1.00 0.49 C ATOM 1981 O ILE B 75 2.487 11.422 -2.767 1.00 0.53 O ATOM 1982 CB ILE B 75 -0.528 10.270 -3.659 1.00 0.60 C ATOM 1983 CG1 ILE B 75 -1.713 10.819 -4.455 1.00 0.74 C ATOM 1984 CG2 ILE B 75 -0.583 10.744 -2.208 1.00 0.68 C ATOM 1985 CD1 ILE B 75 -1.918 12.305 -4.286 1.00 1.37 C ATOM 0 H ILE B 75 0.325 9.213 -5.766 1.00 0.58 H new ATOM 0 HA ILE B 75 0.778 11.686 -4.648 1.00 0.53 H new ATOM 0 HB ILE B 75 -0.600 9.182 -3.664 1.00 0.60 H new ATOM 0 HG12 ILE B 75 -1.563 10.599 -5.512 1.00 0.74 H new ATOM 0 HG13 ILE B 75 -2.620 10.298 -4.147 1.00 0.74 H new ATOM 0 HG21 ILE B 75 -1.542 10.466 -1.770 1.00 0.68 H new ATOM 0 HG22 ILE B 75 0.223 10.278 -1.642 1.00 0.68 H new ATOM 0 HG23 ILE B 75 -0.470 11.828 -2.175 1.00 0.68 H new ATOM 0 HD11 ILE B 75 -2.775 12.624 -4.879 1.00 1.37 H new ATOM 0 HD12 ILE B 75 -2.100 12.530 -3.235 1.00 1.37 H new ATOM 0 HD13 ILE B 75 -1.027 12.836 -4.622 1.00 1.37 H new ATOM 1997 N PHE B 76 2.236 9.199 -3.015 1.00 0.50 N ATOM 1998 CA PHE B 76 3.263 8.854 -2.052 1.00 0.56 C ATOM 1999 C PHE B 76 4.627 9.377 -2.479 1.00 0.59 C ATOM 2000 O PHE B 76 5.334 9.983 -1.676 1.00 0.72 O ATOM 2001 CB PHE B 76 3.314 7.337 -1.835 1.00 0.65 C ATOM 2002 CG PHE B 76 2.467 6.818 -0.700 1.00 2.05 C ATOM 2003 CD1 PHE B 76 1.842 7.650 0.229 1.00 2.12 C ATOM 2004 CD2 PHE B 76 2.325 5.451 -0.547 1.00 2.34 C ATOM 2005 CE1 PHE B 76 1.105 7.119 1.263 1.00 2.24 C ATOM 2006 CE2 PHE B 76 1.593 4.921 0.497 1.00 2.34 C ATOM 2007 CZ PHE B 76 0.980 5.743 1.400 1.00 2.37 C ATOM 0 H PHE B 76 1.782 8.396 -3.450 1.00 0.50 H new ATOM 0 HA PHE B 76 3.003 9.333 -1.108 1.00 0.56 H new ATOM 0 HB2 PHE B 76 3.000 6.844 -2.755 1.00 0.65 H new ATOM 0 HB3 PHE B 76 4.349 7.047 -1.656 1.00 0.65 H new ATOM 0 HD1 PHE B 76 1.937 8.722 0.136 1.00 2.12 H new ATOM 0 HD2 PHE B 76 2.795 4.786 -1.257 1.00 2.34 H new ATOM 0 HE1 PHE B 76 0.622 7.776 1.971 1.00 2.24 H new ATOM 0 HE2 PHE B 76 1.504 3.850 0.600 1.00 2.34 H new ATOM 0 HZ PHE B 76 0.404 5.326 2.213 1.00 2.37 H new ATOM 2017 N GLU B 77 4.993 9.170 -3.737 1.00 0.62 N ATOM 2018 CA GLU B 77 6.281 9.646 -4.231 1.00 0.73 C ATOM 2019 C GLU B 77 6.382 11.168 -4.121 1.00 0.69 C ATOM 2020 O GLU B 77 7.477 11.724 -4.086 1.00 0.79 O ATOM 2021 CB GLU B 77 6.512 9.204 -5.678 1.00 0.89 C ATOM 2022 CG GLU B 77 6.565 7.695 -5.853 1.00 1.56 C ATOM 2023 CD GLU B 77 7.037 7.285 -7.231 1.00 1.93 C ATOM 2024 OE1 GLU B 77 6.327 7.564 -8.218 1.00 2.51 O ATOM 2025 OE2 GLU B 77 8.135 6.694 -7.339 1.00 2.40 O ATOM 0 H GLU B 77 4.424 8.681 -4.429 1.00 0.62 H new ATOM 0 HA GLU B 77 7.057 9.203 -3.607 1.00 0.73 H new ATOM 0 HB2 GLU B 77 5.715 9.606 -6.303 1.00 0.89 H new ATOM 0 HB3 GLU B 77 7.447 9.636 -6.036 1.00 0.89 H new ATOM 0 HG2 GLU B 77 7.232 7.269 -5.103 1.00 1.56 H new ATOM 0 HG3 GLU B 77 5.575 7.277 -5.673 1.00 1.56 H new ATOM 2032 N ALA B 78 5.235 11.835 -4.076 1.00 0.60 N ATOM 2033 CA ALA B 78 5.199 13.283 -3.925 1.00 0.61 C ATOM 2034 C ALA B 78 5.198 13.702 -2.454 1.00 0.60 C ATOM 2035 O ALA B 78 6.149 14.316 -1.970 1.00 0.64 O ATOM 2036 CB ALA B 78 3.979 13.851 -4.636 1.00 0.64 C ATOM 0 H ALA B 78 4.317 11.395 -4.142 1.00 0.60 H new ATOM 0 HA ALA B 78 6.104 13.687 -4.380 1.00 0.61 H new ATOM 0 HB1 ALA B 78 3.960 14.934 -4.518 1.00 0.64 H new ATOM 0 HB2 ALA B 78 4.027 13.603 -5.696 1.00 0.64 H new ATOM 0 HB3 ALA B 78 3.074 13.423 -4.204 1.00 0.64 H new ATOM 2042 N ALA B 79 4.136 13.347 -1.740 1.00 0.64 N ATOM 2043 CA ALA B 79 3.938 13.797 -0.365 1.00 0.75 C ATOM 2044 C ALA B 79 4.781 12.999 0.622 1.00 0.86 C ATOM 2045 O ALA B 79 5.474 13.557 1.471 1.00 0.99 O ATOM 2046 CB ALA B 79 2.468 13.683 0.011 1.00 0.83 C ATOM 0 H ALA B 79 3.393 12.744 -2.093 1.00 0.64 H new ATOM 0 HA ALA B 79 4.256 14.838 -0.311 1.00 0.75 H new ATOM 0 HB1 ALA B 79 2.328 14.020 1.038 1.00 0.83 H new ATOM 0 HB2 ALA B 79 1.872 14.303 -0.659 1.00 0.83 H new ATOM 0 HB3 ALA B 79 2.150 12.644 -0.076 1.00 0.83 H new ATOM 2052 N ALA B 80 4.733 11.692 0.472 1.00 0.90 N ATOM 2053 CA ALA B 80 5.332 10.759 1.418 1.00 1.11 C ATOM 2054 C ALA B 80 6.842 10.652 1.244 1.00 1.26 C ATOM 2055 O ALA B 80 7.507 9.966 2.007 1.00 1.55 O ATOM 2056 CB ALA B 80 4.677 9.399 1.310 1.00 1.25 C ATOM 0 H ALA B 80 4.273 11.237 -0.317 1.00 0.90 H new ATOM 0 HA ALA B 80 5.156 11.153 2.419 1.00 1.11 H new ATOM 0 HB1 ALA B 80 5.137 8.716 2.024 1.00 1.25 H new ATOM 0 HB2 ALA B 80 3.613 9.489 1.528 1.00 1.25 H new ATOM 0 HB3 ALA B 80 4.808 9.011 0.300 1.00 1.25 H new ATOM 2062 N THR B 81 7.375 11.266 0.200 1.00 1.23 N ATOM 2063 CA THR B 81 8.778 11.088 -0.147 1.00 1.46 C ATOM 2064 C THR B 81 9.728 11.701 0.900 1.00 1.63 C ATOM 2065 O THR B 81 10.946 11.577 0.778 1.00 1.88 O ATOM 2066 CB THR B 81 9.086 11.684 -1.538 1.00 1.59 C ATOM 2067 OG1 THR B 81 10.344 11.199 -2.016 1.00 2.33 O ATOM 2068 CG2 THR B 81 9.112 13.206 -1.492 1.00 1.64 C ATOM 0 H THR B 81 6.860 11.890 -0.421 1.00 1.23 H new ATOM 0 HA THR B 81 8.953 10.012 -0.167 1.00 1.46 H new ATOM 0 HB THR B 81 8.293 11.372 -2.217 1.00 1.59 H new ATOM 0 HG1 THR B 81 10.528 11.582 -2.899 1.00 2.33 H new ATOM 0 HG21 THR B 81 9.331 13.596 -2.486 1.00 1.64 H new ATOM 0 HG22 THR B 81 8.141 13.577 -1.163 1.00 1.64 H new ATOM 0 HG23 THR B 81 9.882 13.536 -0.795 1.00 1.64 H new ATOM 2076 N GLY B 82 9.190 12.338 1.935 1.00 1.68 N ATOM 2077 CA GLY B 82 10.048 12.830 2.997 1.00 2.13 C ATOM 2078 C GLY B 82 9.403 13.887 3.870 1.00 1.99 C ATOM 2079 O GLY B 82 9.990 14.947 4.086 1.00 2.59 O ATOM 0 H GLY B 82 8.194 12.520 2.057 1.00 1.68 H new ATOM 0 HA2 GLY B 82 10.351 11.991 3.624 1.00 2.13 H new ATOM 0 HA3 GLY B 82 10.955 13.242 2.556 1.00 2.13 H new ATOM 2083 N LYS B 83 8.211 13.603 4.380 1.00 1.88 N ATOM 2084 CA LYS B 83 7.534 14.511 5.303 1.00 2.11 C ATOM 2085 C LYS B 83 6.297 13.846 5.890 1.00 2.84 C ATOM 2086 O LYS B 83 5.183 14.356 5.657 1.00 3.19 O ATOM 2087 CB LYS B 83 7.138 15.817 4.600 1.00 2.30 C ATOM 2088 CG LYS B 83 7.777 17.063 5.202 1.00 2.77 C ATOM 2089 CD LYS B 83 7.417 17.238 6.673 1.00 3.43 C ATOM 2090 CE LYS B 83 5.923 17.443 6.876 1.00 3.92 C ATOM 2091 NZ LYS B 83 5.435 18.691 6.232 1.00 4.40 N ATOM 2092 OXT LYS B 83 6.444 12.804 6.559 1.00 3.61 O ATOM 0 H LYS B 83 7.691 12.751 4.171 1.00 1.88 H new ATOM 0 HA LYS B 83 8.229 14.749 6.109 1.00 2.11 H new ATOM 0 HB2 LYS B 83 7.416 15.750 3.548 1.00 2.30 H new ATOM 0 HB3 LYS B 83 6.054 15.923 4.637 1.00 2.30 H new ATOM 0 HG2 LYS B 83 8.860 17.000 5.099 1.00 2.77 H new ATOM 0 HG3 LYS B 83 7.454 17.941 4.643 1.00 2.77 H new ATOM 0 HD2 LYS B 83 7.741 16.360 7.232 1.00 3.43 H new ATOM 0 HD3 LYS B 83 7.958 18.093 7.079 1.00 3.43 H new ATOM 0 HE2 LYS B 83 5.382 16.590 6.467 1.00 3.92 H new ATOM 0 HE3 LYS B 83 5.704 17.477 7.943 1.00 3.92 H new ATOM 0 HZ1 LYS B 83 4.464 18.888 6.548 1.00 4.40 H new ATOM 0 HZ2 LYS B 83 6.053 19.484 6.498 1.00 4.40 H new ATOM 0 HZ3 LYS B 83 5.446 18.576 5.198 1.00 4.40 H new TER 2106 LYS B 83