USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1106 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: B 61 HIS : +bothHN:sc= -2.45! C(o=-6.3!,f=-14!) USER MOD Set 1.2: B 63 GLN : amide:sc= -3.83! C(o=-6.3!,f=-8.3!) USER MOD Set 2.1: A 61 HIS : +bothHN:sc= -1.94! C(o=-5.8!,f=-14!) USER MOD Set 2.2: A 63 GLN : amide:sc= -3.86! C(o=-5.8!,f=-8.2!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 19:sc= 0.649 USER MOD Single : A 10 SER OG : rot -168:sc= 0.16 USER MOD Single : A 13 GLN : amide:sc= -3.18! C(o=-3.2!,f=-5.6!) USER MOD Single : A 14 LYS NZ :NH3+ -142:sc= -2.59! (180deg=-5.24!) USER MOD Single : A 15 LYS NZ :NH3+ -179:sc= 0.738 (180deg=0.689) USER MOD Single : A 22 TYR OH : rot -30:sc= 0.116 USER MOD Single : A 28 THR OG1 : rot -97:sc= 0.723 USER MOD Single : A 34 TYR OH : rot 165:sc= -0.454 USER MOD Single : A 36 SER OG : rot 160:sc= 0.632 USER MOD Single : A 37 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.25) USER MOD Single : A 42 ASN : amide:sc= -0.0502 K(o=-0.05,f=-2.4!) USER MOD Single : A 45 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.26) USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= -1.24! (180deg=-2.01!) USER MOD Single : A 55 GLN : amide:sc= -2.45! C(o=-2.4!,f=-5.9!) USER MOD Single : A 56 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.21) USER MOD Single : A 60 SER OG : rot 180:sc= -0.676 USER MOD Single : B 3 LYS NZ :NH3+ -156:sc= 0.407 (180deg=-0.115) USER MOD Single : B 7 THR OG1 : rot 13:sc= 0.734 USER MOD Single : B 10 SER OG : rot -166:sc= 0.177 USER MOD Single : B 13 GLN : amide:sc= -3.22! C(o=-3.2!,f=-5.7!) USER MOD Single : B 14 LYS NZ :NH3+ -141:sc= -2.93! (180deg=-5.56!) USER MOD Single : B 15 LYS NZ :NH3+ 178:sc= 0.76 (180deg=0.754) USER MOD Single : B 22 TYR OH : rot -34:sc= 0.0159 USER MOD Single : B 28 THR OG1 : rot -112:sc= 0.743 USER MOD Single : B 34 TYR OH : rot 165:sc= -0.462 USER MOD Single : B 36 SER OG : rot 164:sc= 0.711 USER MOD Single : B 37 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.28) USER MOD Single : B 42 ASN : amide:sc= -0.0518 K(o=-0.052,f=-2.3!) USER MOD Single : B 45 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.16) USER MOD Single : B 53 LYS NZ :NH3+ 176:sc= -1.57! (180deg=-1.85!) USER MOD Single : B 55 GLN : amide:sc= -2.46! C(o=-2.5!,f=-6!) USER MOD Single : B 56 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.17) USER MOD Single : B 60 SER OG : rot 180:sc= -0.666 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -3.161 -16.708 -0.249 1.00 2.52 N ATOM 21 CA GLU A 2 -2.912 -15.436 0.338 1.00 2.21 C ATOM 22 C GLU A 2 -3.020 -14.332 -0.621 1.00 1.84 C ATOM 23 O GLU A 2 -3.708 -13.335 -0.309 1.00 1.98 O ATOM 24 CB GLU A 2 -1.541 -15.382 1.017 1.00 2.47 C ATOM 25 CG GLU A 2 -1.640 -15.893 2.456 1.00 2.84 C ATOM 26 CD GLU A 2 -2.008 -17.306 2.478 1.00 3.40 C ATOM 27 OE1 GLU A 2 -3.117 -17.669 2.031 1.00 3.98 O ATOM 28 OE2 GLU A 2 -1.219 -18.149 2.957 1.00 3.74 O ATOM 0 HA GLU A 2 -3.692 -15.308 1.089 1.00 2.21 H new ATOM 0 HB2 GLU A 2 -0.827 -15.986 0.458 1.00 2.47 H new ATOM 0 HB3 GLU A 2 -1.165 -14.359 1.012 1.00 2.47 H new ATOM 0 HG2 GLU A 2 -0.686 -15.753 2.963 1.00 2.84 H new ATOM 0 HG3 GLU A 2 -2.381 -15.311 3.004 1.00 2.84 H new ATOM 35 N LYS A 3 -2.414 -14.381 -1.819 1.00 1.84 N ATOM 36 CA LYS A 3 -2.587 -13.363 -2.778 1.00 1.95 C ATOM 37 C LYS A 3 -3.946 -13.438 -3.307 1.00 1.67 C ATOM 38 O LYS A 3 -4.699 -14.375 -2.963 1.00 1.92 O ATOM 39 CB LYS A 3 -1.516 -13.508 -3.865 1.00 2.60 C ATOM 40 CG LYS A 3 -1.636 -14.847 -4.600 1.00 3.26 C ATOM 41 CD LYS A 3 -2.505 -14.691 -5.851 1.00 3.92 C ATOM 42 CE LYS A 3 -1.842 -13.685 -6.795 1.00 4.14 C ATOM 43 NZ LYS A 3 -2.622 -13.555 -8.025 1.00 4.84 N ATOM 0 H LYS A 3 -1.800 -15.139 -2.116 1.00 1.84 H new ATOM 0 HA LYS A 3 -2.463 -12.376 -2.333 1.00 1.95 H new ATOM 0 HB2 LYS A 3 -1.609 -12.690 -4.580 1.00 2.60 H new ATOM 0 HB3 LYS A 3 -0.527 -13.427 -3.415 1.00 2.60 H new ATOM 0 HG2 LYS A 3 -0.646 -15.206 -4.880 1.00 3.26 H new ATOM 0 HG3 LYS A 3 -2.071 -15.595 -3.938 1.00 3.26 H new ATOM 0 HD2 LYS A 3 -2.624 -15.653 -6.349 1.00 3.92 H new ATOM 0 HD3 LYS A 3 -3.503 -14.349 -5.576 1.00 3.92 H new ATOM 0 HE2 LYS A 3 -1.759 -12.715 -6.304 1.00 4.14 H new ATOM 0 HE3 LYS A 3 -0.829 -14.010 -7.031 1.00 4.14 H new ATOM 0 HZ1 LYS A 3 -2.162 -12.869 -8.657 1.00 4.84 H new ATOM 0 HZ2 LYS A 3 -2.679 -14.479 -8.499 1.00 4.84 H new ATOM 0 HZ3 LYS A 3 -3.581 -13.224 -7.795 1.00 4.84 H new ATOM 57 N ARG A 4 -4.404 -12.515 -4.162 1.00 1.50 N ATOM 58 CA ARG A 4 -5.746 -12.583 -4.583 1.00 1.29 C ATOM 59 C ARG A 4 -5.857 -12.913 -6.002 1.00 1.50 C ATOM 60 O ARG A 4 -5.705 -12.017 -6.857 1.00 1.81 O ATOM 61 CB ARG A 4 -6.373 -11.206 -4.360 1.00 1.45 C ATOM 62 CG ARG A 4 -7.860 -11.245 -4.706 1.00 1.70 C ATOM 63 CD ARG A 4 -8.657 -11.903 -3.578 1.00 2.73 C ATOM 64 NE ARG A 4 -8.417 -13.289 -3.561 1.00 3.33 N ATOM 65 CZ ARG A 4 -8.911 -14.040 -2.566 1.00 4.45 C ATOM 66 NH1 ARG A 4 -9.627 -13.467 -1.589 1.00 5.09 N ATOM 67 NH2 ARG A 4 -8.689 -15.361 -2.547 1.00 5.20 N ATOM 0 H ARG A 4 -3.857 -11.745 -4.548 1.00 1.50 H new ATOM 0 HA ARG A 4 -6.251 -13.364 -4.014 1.00 1.29 H new ATOM 0 HB2 ARG A 4 -6.241 -10.901 -3.322 1.00 1.45 H new ATOM 0 HB3 ARG A 4 -5.867 -10.463 -4.977 1.00 1.45 H new ATOM 0 HG2 ARG A 4 -8.226 -10.232 -4.875 1.00 1.70 H new ATOM 0 HG3 ARG A 4 -8.009 -11.797 -5.634 1.00 1.70 H new ATOM 0 HD2 ARG A 4 -8.375 -11.466 -2.620 1.00 2.73 H new ATOM 0 HD3 ARG A 4 -9.721 -11.712 -3.715 1.00 2.73 H new ATOM 0 HE ARG A 4 -7.868 -13.722 -4.304 1.00 3.33 H new ATOM 0 HH11 ARG A 4 -9.796 -12.461 -1.603 1.00 5.09 H new ATOM 0 HH12 ARG A 4 -10.004 -14.037 -0.831 1.00 5.09 H new ATOM 0 HH21 ARG A 4 -8.143 -15.797 -3.290 1.00 5.20 H new ATOM 0 HH22 ARG A 4 -9.066 -15.931 -1.789 1.00 5.20 H new ATOM 81 N PRO A 5 -6.130 -14.160 -6.419 1.00 1.56 N ATOM 82 CA PRO A 5 -6.317 -14.448 -7.787 1.00 1.84 C ATOM 83 C PRO A 5 -7.687 -14.228 -8.146 1.00 1.57 C ATOM 84 O PRO A 5 -8.055 -14.434 -9.291 1.00 1.86 O ATOM 85 CB PRO A 5 -6.018 -15.943 -7.860 1.00 2.15 C ATOM 86 CG PRO A 5 -6.538 -16.442 -6.513 1.00 2.06 C ATOM 87 CD PRO A 5 -6.240 -15.288 -5.550 1.00 1.65 C ATOM 0 HA PRO A 5 -5.701 -13.837 -8.447 1.00 1.84 H new ATOM 0 HB2 PRO A 5 -6.529 -16.420 -8.696 1.00 2.15 H new ATOM 0 HB3 PRO A 5 -4.953 -16.140 -7.984 1.00 2.15 H new ATOM 0 HG2 PRO A 5 -7.605 -16.662 -6.554 1.00 2.06 H new ATOM 0 HG3 PRO A 5 -6.035 -17.359 -6.206 1.00 2.06 H new ATOM 0 HD2 PRO A 5 -7.038 -15.157 -4.819 1.00 1.65 H new ATOM 0 HD3 PRO A 5 -5.320 -15.457 -4.991 1.00 1.65 H new ATOM 95 N ARG A 6 -8.549 -13.831 -7.241 1.00 1.20 N ATOM 96 CA ARG A 6 -9.909 -13.638 -7.558 1.00 1.13 C ATOM 97 C ARG A 6 -10.193 -12.251 -7.921 1.00 1.07 C ATOM 98 O ARG A 6 -11.379 -11.943 -8.168 1.00 1.44 O ATOM 99 CB ARG A 6 -10.757 -14.028 -6.348 1.00 1.21 C ATOM 100 CG ARG A 6 -10.580 -15.517 -6.052 1.00 1.55 C ATOM 101 CD ARG A 6 -11.423 -15.893 -4.831 1.00 1.87 C ATOM 102 NE ARG A 6 -12.775 -15.575 -5.073 1.00 2.69 N ATOM 103 CZ ARG A 6 -13.740 -16.456 -4.775 1.00 3.24 C ATOM 104 NH1 ARG A 6 -13.425 -17.656 -4.270 1.00 3.20 N ATOM 105 NH2 ARG A 6 -15.024 -16.136 -4.985 1.00 4.22 N ATOM 0 H ARG A 6 -8.309 -13.637 -6.269 1.00 1.20 H new ATOM 0 HA ARG A 6 -10.150 -14.262 -8.419 1.00 1.13 H new ATOM 0 HB2 ARG A 6 -10.463 -13.438 -5.480 1.00 1.21 H new ATOM 0 HB3 ARG A 6 -11.807 -13.808 -6.542 1.00 1.21 H new ATOM 0 HG2 ARG A 6 -10.884 -16.110 -6.915 1.00 1.55 H new ATOM 0 HG3 ARG A 6 -9.529 -15.740 -5.866 1.00 1.55 H new ATOM 0 HD2 ARG A 6 -11.322 -16.958 -4.620 1.00 1.87 H new ATOM 0 HD3 ARG A 6 -11.065 -15.359 -3.951 1.00 1.87 H new ATOM 0 HE ARG A 6 -13.020 -14.671 -5.477 1.00 2.69 H new ATOM 0 HH11 ARG A 6 -12.448 -17.902 -4.111 1.00 3.20 H new ATOM 0 HH12 ARG A 6 -14.162 -18.324 -4.044 1.00 3.20 H new ATOM 0 HH21 ARG A 6 -15.266 -15.223 -5.371 1.00 4.22 H new ATOM 0 HH22 ARG A 6 -15.760 -16.805 -4.759 1.00 4.22 H new ATOM 119 N THR A 7 -9.211 -11.337 -7.983 1.00 0.98 N ATOM 120 CA THR A 7 -9.448 -9.990 -8.354 1.00 0.88 C ATOM 121 C THR A 7 -10.489 -9.354 -7.546 1.00 0.88 C ATOM 122 O THR A 7 -11.490 -8.842 -8.092 1.00 0.89 O ATOM 123 CB THR A 7 -9.779 -9.869 -9.846 1.00 0.87 C ATOM 124 OG1 THR A 7 -10.959 -10.589 -10.167 1.00 0.95 O ATOM 125 CG2 THR A 7 -8.607 -10.412 -10.666 1.00 0.90 C ATOM 0 H THR A 7 -8.235 -11.543 -7.770 1.00 0.98 H new ATOM 0 HA THR A 7 -8.518 -9.456 -8.159 1.00 0.88 H new ATOM 0 HB THR A 7 -9.947 -8.818 -10.082 1.00 0.87 H new ATOM 0 HG1 THR A 7 -11.473 -10.757 -9.349 1.00 0.95 H new ATOM 0 HG21 THR A 7 -8.837 -10.329 -11.728 1.00 0.90 H new ATOM 0 HG22 THR A 7 -7.709 -9.836 -10.443 1.00 0.90 H new ATOM 0 HG23 THR A 7 -8.439 -11.459 -10.412 1.00 0.90 H new ATOM 133 N GLU A 8 -10.339 -9.299 -6.215 1.00 0.91 N ATOM 134 CA GLU A 8 -11.304 -8.694 -5.381 1.00 0.98 C ATOM 135 C GLU A 8 -10.698 -8.384 -4.086 1.00 0.96 C ATOM 136 O GLU A 8 -11.420 -8.373 -3.067 1.00 1.30 O ATOM 137 CB GLU A 8 -12.540 -9.581 -5.208 1.00 1.20 C ATOM 138 CG GLU A 8 -12.165 -10.949 -4.639 1.00 1.29 C ATOM 139 CD GLU A 8 -13.378 -11.756 -4.530 1.00 1.75 C ATOM 140 OE1 GLU A 8 -14.301 -11.390 -3.770 1.00 2.22 O ATOM 141 OE2 GLU A 8 -13.507 -12.800 -5.206 1.00 2.27 O ATOM 0 H GLU A 8 -9.535 -9.682 -5.718 1.00 0.91 H new ATOM 0 HA GLU A 8 -11.641 -7.771 -5.853 1.00 0.98 H new ATOM 0 HB2 GLU A 8 -13.252 -9.091 -4.544 1.00 1.20 H new ATOM 0 HB3 GLU A 8 -13.037 -9.708 -6.170 1.00 1.20 H new ATOM 0 HG2 GLU A 8 -11.439 -11.442 -5.286 1.00 1.29 H new ATOM 0 HG3 GLU A 8 -11.696 -10.837 -3.661 1.00 1.29 H new ATOM 148 N PHE A 9 -9.375 -8.137 -4.051 1.00 0.75 N ATOM 149 CA PHE A 9 -8.598 -7.803 -2.907 1.00 0.68 C ATOM 150 C PHE A 9 -8.696 -8.744 -1.788 1.00 0.81 C ATOM 151 O PHE A 9 -9.782 -9.049 -1.251 1.00 0.93 O ATOM 152 CB PHE A 9 -8.779 -6.347 -2.449 1.00 0.55 C ATOM 153 CG PHE A 9 -10.141 -5.996 -2.050 1.00 0.57 C ATOM 154 CD1 PHE A 9 -10.612 -6.348 -0.791 1.00 0.87 C ATOM 155 CD2 PHE A 9 -10.971 -5.316 -2.935 1.00 0.82 C ATOM 156 CE1 PHE A 9 -11.906 -6.009 -0.412 1.00 0.92 C ATOM 157 CE2 PHE A 9 -12.267 -4.983 -2.559 1.00 0.89 C ATOM 158 CZ PHE A 9 -12.734 -5.327 -1.296 1.00 0.72 C ATOM 0 H PHE A 9 -8.808 -8.176 -4.898 1.00 0.75 H new ATOM 0 HA PHE A 9 -7.574 -7.902 -3.268 1.00 0.68 H new ATOM 0 HB2 PHE A 9 -8.109 -6.159 -1.610 1.00 0.55 H new ATOM 0 HB3 PHE A 9 -8.470 -5.685 -3.258 1.00 0.55 H new ATOM 0 HD1 PHE A 9 -9.972 -6.885 -0.106 1.00 0.87 H new ATOM 0 HD2 PHE A 9 -10.608 -5.046 -3.916 1.00 0.82 H new ATOM 0 HE1 PHE A 9 -12.268 -6.276 0.570 1.00 0.92 H new ATOM 0 HE2 PHE A 9 -12.911 -4.457 -3.248 1.00 0.89 H new ATOM 0 HZ PHE A 9 -13.739 -5.065 -1.002 1.00 0.72 H new ATOM 168 N SER A 10 -7.543 -9.248 -1.322 1.00 0.92 N ATOM 169 CA SER A 10 -7.489 -10.182 -0.265 1.00 1.07 C ATOM 170 C SER A 10 -7.152 -9.514 0.985 1.00 0.95 C ATOM 171 O SER A 10 -6.849 -8.302 0.986 1.00 0.79 O ATOM 172 CB SER A 10 -6.387 -11.203 -0.569 1.00 1.27 C ATOM 173 OG SER A 10 -6.274 -12.149 0.484 1.00 1.65 O ATOM 0 H SER A 10 -6.628 -8.994 -1.696 1.00 0.92 H new ATOM 0 HA SER A 10 -8.461 -10.666 -0.170 1.00 1.07 H new ATOM 0 HB2 SER A 10 -6.609 -11.717 -1.504 1.00 1.27 H new ATOM 0 HB3 SER A 10 -5.436 -10.689 -0.706 1.00 1.27 H new ATOM 0 HG SER A 10 -5.452 -12.670 0.369 1.00 1.65 H new ATOM 179 N GLU A 11 -7.142 -10.218 2.126 1.00 1.08 N ATOM 180 CA GLU A 11 -6.782 -9.613 3.350 1.00 1.08 C ATOM 181 C GLU A 11 -5.371 -9.242 3.319 1.00 0.96 C ATOM 182 O GLU A 11 -4.933 -8.394 4.128 1.00 0.94 O ATOM 183 CB GLU A 11 -7.036 -10.573 4.516 1.00 1.26 C ATOM 184 CG GLU A 11 -6.613 -9.908 5.828 1.00 1.21 C ATOM 185 CD GLU A 11 -7.476 -8.764 6.111 1.00 1.81 C ATOM 186 OE1 GLU A 11 -7.550 -7.821 5.295 1.00 2.60 O ATOM 187 OE2 GLU A 11 -8.134 -8.723 7.173 1.00 2.29 O ATOM 0 H GLU A 11 -7.385 -11.206 2.194 1.00 1.08 H new ATOM 0 HA GLU A 11 -7.391 -8.720 3.491 1.00 1.08 H new ATOM 0 HB2 GLU A 11 -8.092 -10.842 4.556 1.00 1.26 H new ATOM 0 HB3 GLU A 11 -6.477 -11.497 4.368 1.00 1.26 H new ATOM 0 HG2 GLU A 11 -6.670 -10.628 6.645 1.00 1.21 H new ATOM 0 HG3 GLU A 11 -5.575 -9.583 5.762 1.00 1.21 H new ATOM 194 N GLU A 12 -4.542 -9.831 2.446 1.00 0.93 N ATOM 195 CA GLU A 12 -3.185 -9.462 2.408 1.00 0.82 C ATOM 196 C GLU A 12 -2.983 -8.409 1.417 1.00 0.71 C ATOM 197 O GLU A 12 -1.845 -7.910 1.277 1.00 0.70 O ATOM 198 CB GLU A 12 -2.314 -10.675 2.078 1.00 0.85 C ATOM 199 CG GLU A 12 -2.512 -11.749 3.149 1.00 1.17 C ATOM 200 CD GLU A 12 -2.316 -11.149 4.467 1.00 2.13 C ATOM 201 OE1 GLU A 12 -1.288 -10.481 4.711 1.00 2.46 O ATOM 202 OE2 GLU A 12 -3.196 -11.280 5.345 1.00 2.73 O ATOM 0 H GLU A 12 -4.815 -10.552 1.779 1.00 0.93 H new ATOM 0 HA GLU A 12 -2.895 -9.084 3.388 1.00 0.82 H new ATOM 0 HB2 GLU A 12 -2.579 -11.071 1.097 1.00 0.85 H new ATOM 0 HB3 GLU A 12 -1.265 -10.382 2.031 1.00 0.85 H new ATOM 0 HG2 GLU A 12 -3.513 -12.175 3.074 1.00 1.17 H new ATOM 0 HG3 GLU A 12 -1.806 -12.566 2.998 1.00 1.17 H new ATOM 209 N GLN A 13 -4.002 -7.967 0.665 1.00 0.67 N ATOM 210 CA GLN A 13 -3.796 -6.928 -0.264 1.00 0.57 C ATOM 211 C GLN A 13 -4.451 -5.723 0.234 1.00 0.52 C ATOM 212 O GLN A 13 -4.121 -4.603 -0.212 1.00 0.47 O ATOM 213 CB GLN A 13 -4.361 -7.304 -1.635 1.00 0.62 C ATOM 214 CG GLN A 13 -3.633 -8.540 -2.167 1.00 0.82 C ATOM 215 CD GLN A 13 -2.275 -8.171 -2.559 1.00 1.48 C ATOM 216 OE1 GLN A 13 -1.499 -7.668 -1.718 1.00 2.34 O ATOM 217 NE2 GLN A 13 -1.859 -8.366 -3.817 1.00 2.04 N ATOM 0 H GLN A 13 -4.954 -8.330 0.705 1.00 0.67 H new ATOM 0 HA GLN A 13 -2.726 -6.753 -0.380 1.00 0.57 H new ATOM 0 HB2 GLN A 13 -5.430 -7.504 -1.557 1.00 0.62 H new ATOM 0 HB3 GLN A 13 -4.242 -6.472 -2.329 1.00 0.62 H new ATOM 0 HG2 GLN A 13 -3.605 -9.316 -1.402 1.00 0.82 H new ATOM 0 HG3 GLN A 13 -4.170 -8.953 -3.021 1.00 0.82 H new ATOM 0 HE21 GLN A 13 -2.490 -8.776 -4.505 1.00 2.04 H new ATOM 0 HE22 GLN A 13 -0.911 -8.104 -4.087 1.00 2.04 H new ATOM 226 N LYS A 14 -5.402 -5.814 1.177 1.00 0.57 N ATOM 227 CA LYS A 14 -6.068 -4.662 1.653 1.00 0.57 C ATOM 228 C LYS A 14 -5.155 -3.722 2.306 1.00 0.60 C ATOM 229 O LYS A 14 -5.569 -2.572 2.568 1.00 0.60 O ATOM 230 CB LYS A 14 -7.171 -5.089 2.624 1.00 0.65 C ATOM 231 CG LYS A 14 -8.367 -5.604 1.819 1.00 0.67 C ATOM 232 CD LYS A 14 -9.286 -6.463 2.692 1.00 1.04 C ATOM 233 CE LYS A 14 -9.927 -5.621 3.795 1.00 1.36 C ATOM 234 NZ LYS A 14 -8.919 -5.280 4.798 1.00 1.71 N ATOM 0 H LYS A 14 -5.704 -6.689 1.605 1.00 0.57 H new ATOM 0 HA LYS A 14 -6.498 -4.142 0.797 1.00 0.57 H new ATOM 0 HB2 LYS A 14 -6.804 -5.867 3.293 1.00 0.65 H new ATOM 0 HB3 LYS A 14 -7.471 -4.247 3.248 1.00 0.65 H new ATOM 0 HG2 LYS A 14 -8.927 -4.761 1.414 1.00 0.67 H new ATOM 0 HG3 LYS A 14 -8.014 -6.190 0.970 1.00 0.67 H new ATOM 0 HD2 LYS A 14 -10.063 -6.915 2.075 1.00 1.04 H new ATOM 0 HD3 LYS A 14 -8.716 -7.279 3.136 1.00 1.04 H new ATOM 0 HE2 LYS A 14 -10.355 -4.713 3.371 1.00 1.36 H new ATOM 0 HE3 LYS A 14 -10.745 -6.172 4.259 1.00 1.36 H new ATOM 0 HZ1 LYS A 14 -9.347 -5.314 5.745 1.00 1.71 H new ATOM 0 HZ2 LYS A 14 -8.135 -5.961 4.747 1.00 1.71 H new ATOM 0 HZ3 LYS A 14 -8.558 -4.322 4.616 1.00 1.71 H new ATOM 248 N LYS A 15 -3.896 -4.061 2.627 1.00 0.68 N ATOM 249 CA LYS A 15 -3.005 -3.091 3.130 1.00 0.73 C ATOM 250 C LYS A 15 -2.690 -2.167 2.041 1.00 0.66 C ATOM 251 O LYS A 15 -2.732 -0.933 2.229 1.00 0.70 O ATOM 252 CB LYS A 15 -1.705 -3.747 3.605 1.00 0.82 C ATOM 253 CG LYS A 15 -1.787 -4.070 5.100 1.00 0.97 C ATOM 254 CD LYS A 15 -2.552 -5.369 5.368 1.00 1.51 C ATOM 255 CE LYS A 15 -1.719 -6.574 4.923 1.00 1.07 C ATOM 256 NZ LYS A 15 -2.345 -7.802 5.416 1.00 1.94 N ATOM 0 H LYS A 15 -3.507 -4.999 2.536 1.00 0.68 H new ATOM 0 HA LYS A 15 -3.465 -2.575 3.973 1.00 0.73 H new ATOM 0 HB2 LYS A 15 -1.522 -4.660 3.038 1.00 0.82 H new ATOM 0 HB3 LYS A 15 -0.863 -3.081 3.416 1.00 0.82 H new ATOM 0 HG2 LYS A 15 -0.780 -4.152 5.508 1.00 0.97 H new ATOM 0 HG3 LYS A 15 -2.276 -3.248 5.622 1.00 0.97 H new ATOM 0 HD2 LYS A 15 -2.784 -5.450 6.430 1.00 1.51 H new ATOM 0 HD3 LYS A 15 -3.502 -5.357 4.834 1.00 1.51 H new ATOM 0 HE2 LYS A 15 -1.647 -6.600 3.836 1.00 1.07 H new ATOM 0 HE3 LYS A 15 -0.703 -6.490 5.308 1.00 1.07 H new ATOM 0 HZ1 LYS A 15 -1.773 -8.622 5.130 1.00 1.94 H new ATOM 0 HZ2 LYS A 15 -2.407 -7.768 6.454 1.00 1.94 H new ATOM 0 HZ3 LYS A 15 -3.300 -7.890 5.015 1.00 1.94 H new ATOM 270 N ALA A 16 -2.385 -2.649 0.827 1.00 0.58 N ATOM 271 CA ALA A 16 -2.074 -1.781 -0.243 1.00 0.53 C ATOM 272 C ALA A 16 -3.229 -0.957 -0.596 1.00 0.50 C ATOM 273 O ALA A 16 -3.057 0.228 -0.958 1.00 0.60 O ATOM 274 CB ALA A 16 -1.661 -2.620 -1.452 1.00 0.46 C ATOM 0 H ALA A 16 -2.356 -3.641 0.594 1.00 0.58 H new ATOM 0 HA ALA A 16 -1.260 -1.122 0.059 1.00 0.53 H new ATOM 0 HB1 ALA A 16 -1.418 -1.962 -2.286 1.00 0.46 H new ATOM 0 HB2 ALA A 16 -0.788 -3.220 -1.197 1.00 0.46 H new ATOM 0 HB3 ALA A 16 -2.483 -3.278 -1.736 1.00 0.46 H new ATOM 280 N LEU A 17 -4.479 -1.438 -0.505 1.00 0.44 N ATOM 281 CA LEU A 17 -5.573 -0.606 -0.839 1.00 0.46 C ATOM 282 C LEU A 17 -5.791 0.415 0.194 1.00 0.57 C ATOM 283 O LEU A 17 -6.706 1.257 0.048 1.00 0.71 O ATOM 284 CB LEU A 17 -6.854 -1.428 -1.022 1.00 0.42 C ATOM 285 CG LEU A 17 -6.815 -2.178 -2.357 1.00 0.36 C ATOM 286 CD1 LEU A 17 -5.914 -3.404 -2.229 1.00 0.39 C ATOM 287 CD2 LEU A 17 -8.221 -2.636 -2.749 1.00 0.38 C ATOM 0 H LEU A 17 -4.723 -2.382 -0.206 1.00 0.44 H new ATOM 0 HA LEU A 17 -5.331 -0.113 -1.781 1.00 0.46 H new ATOM 0 HB2 LEU A 17 -6.960 -2.137 -0.201 1.00 0.42 H new ATOM 0 HB3 LEU A 17 -7.724 -0.772 -0.991 1.00 0.42 H new ATOM 0 HG LEU A 17 -6.427 -1.507 -3.123 1.00 0.36 H new ATOM 0 HD11 LEU A 17 -5.887 -3.937 -3.180 1.00 0.39 H new ATOM 0 HD12 LEU A 17 -4.906 -3.088 -1.961 1.00 0.39 H new ATOM 0 HD13 LEU A 17 -6.305 -4.064 -1.454 1.00 0.39 H new ATOM 0 HD21 LEU A 17 -8.179 -3.168 -3.700 1.00 0.38 H new ATOM 0 HD22 LEU A 17 -8.615 -3.300 -1.979 1.00 0.38 H new ATOM 0 HD23 LEU A 17 -8.872 -1.768 -2.848 1.00 0.38 H new ATOM 299 N ASP A 18 -5.028 0.471 1.296 1.00 0.59 N ATOM 300 CA ASP A 18 -5.208 1.513 2.223 1.00 0.70 C ATOM 301 C ASP A 18 -4.151 2.502 2.058 1.00 0.73 C ATOM 302 O ASP A 18 -4.412 3.721 2.158 1.00 0.82 O ATOM 303 CB ASP A 18 -5.225 0.981 3.655 1.00 0.76 C ATOM 304 CG ASP A 18 -5.429 2.112 4.555 1.00 0.97 C ATOM 305 OD1 ASP A 18 -6.437 2.842 4.429 1.00 1.24 O ATOM 306 OD2 ASP A 18 -4.574 2.376 5.428 1.00 1.76 O ATOM 0 H ASP A 18 -4.298 -0.201 1.534 1.00 0.59 H new ATOM 0 HA ASP A 18 -6.173 1.983 2.034 1.00 0.70 H new ATOM 0 HB2 ASP A 18 -6.021 0.247 3.779 1.00 0.76 H new ATOM 0 HB3 ASP A 18 -4.287 0.476 3.885 1.00 0.76 H new ATOM 311 N LEU A 19 -2.906 2.102 1.768 1.00 0.68 N ATOM 312 CA LEU A 19 -1.870 3.046 1.607 1.00 0.70 C ATOM 313 C LEU A 19 -2.007 3.775 0.341 1.00 0.71 C ATOM 314 O LEU A 19 -1.232 4.725 0.097 1.00 0.85 O ATOM 315 CB LEU A 19 -0.535 2.298 1.637 1.00 0.60 C ATOM 316 CG LEU A 19 -0.095 2.023 3.079 1.00 0.67 C ATOM 317 CD1 LEU A 19 -1.249 1.417 3.879 1.00 1.15 C ATOM 318 CD2 LEU A 19 1.078 1.040 3.060 1.00 0.69 C ATOM 0 H LEU A 19 -2.624 1.129 1.647 1.00 0.68 H new ATOM 0 HA LEU A 19 -1.919 3.777 2.414 1.00 0.70 H new ATOM 0 HB2 LEU A 19 -0.629 1.357 1.095 1.00 0.60 H new ATOM 0 HB3 LEU A 19 0.227 2.886 1.126 1.00 0.60 H new ATOM 0 HG LEU A 19 0.205 2.960 3.548 1.00 0.67 H new ATOM 0 HD11 LEU A 19 -0.922 1.227 4.901 1.00 1.15 H new ATOM 0 HD12 LEU A 19 -2.089 2.112 3.890 1.00 1.15 H new ATOM 0 HD13 LEU A 19 -1.559 0.480 3.417 1.00 1.15 H new ATOM 0 HD21 LEU A 19 1.399 0.837 4.082 1.00 0.69 H new ATOM 0 HD22 LEU A 19 0.765 0.109 2.586 1.00 0.69 H new ATOM 0 HD23 LEU A 19 1.906 1.472 2.498 1.00 0.69 H new ATOM 330 N ALA A 20 -2.947 3.456 -0.562 1.00 0.62 N ATOM 331 CA ALA A 20 -3.071 4.204 -1.754 1.00 0.70 C ATOM 332 C ALA A 20 -3.922 5.382 -1.557 1.00 0.84 C ATOM 333 O ALA A 20 -4.101 6.174 -2.507 1.00 1.21 O ATOM 334 CB ALA A 20 -3.699 3.320 -2.833 1.00 0.72 C ATOM 0 H ALA A 20 -3.611 2.688 -0.462 1.00 0.62 H new ATOM 0 HA ALA A 20 -2.078 4.538 -2.054 1.00 0.70 H new ATOM 0 HB1 ALA A 20 -3.799 3.889 -3.757 1.00 0.72 H new ATOM 0 HB2 ALA A 20 -3.063 2.452 -3.008 1.00 0.72 H new ATOM 0 HB3 ALA A 20 -4.683 2.988 -2.504 1.00 0.72 H new ATOM 340 N PHE A 21 -4.519 5.609 -0.378 1.00 0.88 N ATOM 341 CA PHE A 21 -5.359 6.729 -0.182 1.00 1.18 C ATOM 342 C PHE A 21 -4.604 7.979 -0.253 1.00 1.61 C ATOM 343 O PHE A 21 -4.989 8.889 -1.017 1.00 2.22 O ATOM 344 CB PHE A 21 -5.981 6.597 1.210 1.00 1.29 C ATOM 345 CG PHE A 21 -6.804 7.767 1.503 1.00 1.16 C ATOM 346 CD1 PHE A 21 -7.917 8.046 0.721 1.00 1.63 C ATOM 347 CD2 PHE A 21 -6.460 8.618 2.547 1.00 1.41 C ATOM 348 CE1 PHE A 21 -8.691 9.169 0.989 1.00 1.73 C ATOM 349 CE2 PHE A 21 -7.232 9.743 2.811 1.00 1.60 C ATOM 350 CZ PHE A 21 -8.350 10.018 2.034 1.00 1.50 C ATOM 0 H PHE A 21 -4.415 5.009 0.440 1.00 0.88 H new ATOM 0 HA PHE A 21 -6.120 6.754 -0.962 1.00 1.18 H new ATOM 0 HB2 PHE A 21 -6.588 5.693 1.262 1.00 1.29 H new ATOM 0 HB3 PHE A 21 -5.196 6.497 1.960 1.00 1.29 H new ATOM 0 HD1 PHE A 21 -8.181 7.390 -0.096 1.00 1.63 H new ATOM 0 HD2 PHE A 21 -5.592 8.405 3.153 1.00 1.41 H new ATOM 0 HE1 PHE A 21 -9.559 9.382 0.383 1.00 1.73 H new ATOM 0 HE2 PHE A 21 -6.962 10.404 3.621 1.00 1.60 H new ATOM 0 HZ PHE A 21 -8.953 10.890 2.242 1.00 1.50 H new ATOM 360 N TYR A 22 -3.557 8.123 0.574 1.00 1.98 N ATOM 361 CA TYR A 22 -2.669 9.229 0.653 1.00 2.50 C ATOM 362 C TYR A 22 -3.272 10.543 0.458 1.00 2.37 C ATOM 363 O TYR A 22 -2.716 11.355 -0.312 1.00 2.86 O ATOM 364 CB TYR A 22 -1.407 9.062 -0.209 1.00 3.05 C ATOM 365 CG TYR A 22 -1.486 9.438 -1.623 1.00 4.37 C ATOM 366 CD1 TYR A 22 -2.606 10.038 -2.181 1.00 4.57 C ATOM 367 CD2 TYR A 22 -0.370 9.223 -2.426 1.00 4.86 C ATOM 368 CE1 TYR A 22 -2.609 10.426 -3.516 1.00 5.05 C ATOM 369 CE2 TYR A 22 -0.366 9.615 -3.759 1.00 5.31 C ATOM 370 CZ TYR A 22 -1.484 10.227 -4.304 1.00 5.70 C ATOM 371 OH TYR A 22 -1.476 10.618 -5.596 1.00 5.94 O ATOM 0 H TYR A 22 -3.315 7.396 1.247 1.00 1.98 H new ATOM 0 HA TYR A 22 -2.365 9.210 1.700 1.00 2.50 H new ATOM 0 HB2 TYR A 22 -0.610 9.648 0.249 1.00 3.05 H new ATOM 0 HB3 TYR A 22 -1.103 8.016 -0.158 1.00 3.05 H new ATOM 0 HD1 TYR A 22 -3.483 10.205 -1.573 1.00 4.57 H new ATOM 0 HD2 TYR A 22 0.504 8.746 -2.008 1.00 4.86 H new ATOM 0 HE1 TYR A 22 -3.490 10.884 -3.941 1.00 5.05 H new ATOM 0 HE2 TYR A 22 0.508 9.443 -4.370 1.00 5.31 H new ATOM 0 HH TYR A 22 -2.385 10.569 -5.958 1.00 5.94 H new ATOM 381 N PHE A 23 -4.404 10.865 1.104 1.00 2.53 N ATOM 382 CA PHE A 23 -4.996 12.151 1.075 1.00 3.15 C ATOM 383 C PHE A 23 -5.650 12.450 -0.201 1.00 3.06 C ATOM 384 O PHE A 23 -6.798 12.947 -0.188 1.00 3.59 O ATOM 385 CB PHE A 23 -3.973 13.237 1.427 1.00 3.86 C ATOM 386 CG PHE A 23 -3.458 12.984 2.769 1.00 4.35 C ATOM 387 CD1 PHE A 23 -4.288 13.128 3.875 1.00 4.54 C ATOM 388 CD2 PHE A 23 -2.142 12.569 2.934 1.00 5.12 C ATOM 389 CE1 PHE A 23 -3.795 12.871 5.150 1.00 5.32 C ATOM 390 CE2 PHE A 23 -1.652 12.308 4.207 1.00 5.84 C ATOM 391 CZ PHE A 23 -2.478 12.460 5.315 1.00 6.77 C ATOM 0 H PHE A 23 -4.925 10.195 1.670 1.00 2.53 H new ATOM 0 HA PHE A 23 -5.778 12.146 1.835 1.00 3.15 H new ATOM 0 HB2 PHE A 23 -3.158 13.235 0.704 1.00 3.86 H new ATOM 0 HB3 PHE A 23 -4.438 14.222 1.381 1.00 3.86 H new ATOM 0 HD1 PHE A 23 -5.314 13.439 3.744 1.00 4.54 H new ATOM 0 HD2 PHE A 23 -1.501 12.450 2.073 1.00 5.12 H new ATOM 0 HE1 PHE A 23 -4.436 12.991 6.011 1.00 5.32 H new ATOM 0 HE2 PHE A 23 -0.629 11.987 4.336 1.00 5.84 H new ATOM 0 HZ PHE A 23 -2.096 12.258 6.305 1.00 6.77 H new ATOM 401 N ASP A 24 -5.063 12.180 -1.377 1.00 2.69 N ATOM 402 CA ASP A 24 -5.722 12.480 -2.584 1.00 2.83 C ATOM 403 C ASP A 24 -6.062 11.261 -3.321 1.00 2.45 C ATOM 404 O ASP A 24 -5.818 11.211 -4.545 1.00 2.75 O ATOM 405 CB ASP A 24 -4.839 13.410 -3.424 1.00 3.31 C ATOM 406 CG ASP A 24 -5.562 13.862 -4.609 1.00 3.96 C ATOM 407 OD1 ASP A 24 -6.676 14.415 -4.490 1.00 4.25 O ATOM 408 OD2 ASP A 24 -5.076 13.681 -5.746 1.00 4.50 O ATOM 0 H ASP A 24 -4.140 11.758 -1.482 1.00 2.69 H new ATOM 0 HA ASP A 24 -6.660 12.987 -2.360 1.00 2.83 H new ATOM 0 HB2 ASP A 24 -4.533 14.269 -2.827 1.00 3.31 H new ATOM 0 HB3 ASP A 24 -3.930 12.888 -3.722 1.00 3.31 H new ATOM 413 N ARG A 25 -6.622 10.228 -2.664 1.00 2.47 N ATOM 414 CA ARG A 25 -7.214 9.105 -3.302 1.00 2.98 C ATOM 415 C ARG A 25 -6.587 8.606 -4.526 1.00 2.31 C ATOM 416 O ARG A 25 -7.155 8.873 -5.609 1.00 2.72 O ATOM 417 CB ARG A 25 -8.709 9.349 -3.540 1.00 4.09 C ATOM 418 CG ARG A 25 -8.994 10.503 -4.502 1.00 4.69 C ATOM 419 CD ARG A 25 -10.515 10.663 -4.595 1.00 5.33 C ATOM 420 NE ARG A 25 -10.842 11.748 -5.432 1.00 5.75 N ATOM 421 CZ ARG A 25 -11.795 12.612 -5.053 1.00 6.57 C ATOM 422 NH1 ARG A 25 -12.421 12.450 -3.879 1.00 7.02 N ATOM 423 NH2 ARG A 25 -12.123 13.641 -5.844 1.00 7.21 N ATOM 0 H ARG A 25 -6.661 10.179 -1.646 1.00 2.47 H new ATOM 0 HA ARG A 25 -7.043 8.302 -2.585 1.00 2.98 H new ATOM 0 HB2 ARG A 25 -9.159 8.438 -3.935 1.00 4.09 H new ATOM 0 HB3 ARG A 25 -9.192 9.555 -2.585 1.00 4.09 H new ATOM 0 HG2 ARG A 25 -8.533 11.423 -4.143 1.00 4.69 H new ATOM 0 HG3 ARG A 25 -8.570 10.296 -5.485 1.00 4.69 H new ATOM 0 HD2 ARG A 25 -10.961 9.748 -4.984 1.00 5.33 H new ATOM 0 HD3 ARG A 25 -10.932 10.823 -3.601 1.00 5.33 H new ATOM 0 HE ARG A 25 -10.357 11.876 -6.320 1.00 5.75 H new ATOM 0 HH11 ARG A 25 -12.173 11.669 -3.272 1.00 7.02 H new ATOM 0 HH12 ARG A 25 -13.146 13.108 -3.592 1.00 7.02 H new ATOM 0 HH21 ARG A 25 -11.648 13.769 -6.737 1.00 7.21 H new ATOM 0 HH22 ARG A 25 -12.848 14.297 -5.553 1.00 7.21 H new ATOM 437 N ARG A 26 -5.449 7.888 -4.546 1.00 1.76 N ATOM 438 CA ARG A 26 -4.974 7.429 -5.799 1.00 1.34 C ATOM 439 C ARG A 26 -6.036 6.643 -6.427 1.00 1.20 C ATOM 440 O ARG A 26 -6.302 5.498 -6.000 1.00 2.05 O ATOM 441 CB ARG A 26 -3.768 6.495 -5.644 1.00 2.02 C ATOM 442 CG ARG A 26 -2.582 7.236 -5.033 1.00 2.50 C ATOM 443 CD ARG A 26 -1.381 6.298 -4.898 1.00 2.91 C ATOM 444 NE ARG A 26 -0.906 5.943 -6.177 1.00 3.64 N ATOM 445 CZ ARG A 26 0.223 5.229 -6.293 1.00 4.57 C ATOM 446 NH1 ARG A 26 0.902 4.869 -5.196 1.00 5.01 N ATOM 447 NH2 ARG A 26 0.676 4.881 -7.505 1.00 5.37 N ATOM 0 H ARG A 26 -4.886 7.638 -3.733 1.00 1.76 H new ATOM 0 HA ARG A 26 -4.683 8.299 -6.388 1.00 1.34 H new ATOM 0 HB2 ARG A 26 -4.037 5.648 -5.013 1.00 2.02 H new ATOM 0 HB3 ARG A 26 -3.488 6.091 -6.617 1.00 2.02 H new ATOM 0 HG2 ARG A 26 -2.317 8.089 -5.657 1.00 2.50 H new ATOM 0 HG3 ARG A 26 -2.856 7.630 -4.054 1.00 2.50 H new ATOM 0 HD2 ARG A 26 -0.590 6.785 -4.328 1.00 2.91 H new ATOM 0 HD3 ARG A 26 -1.667 5.403 -4.345 1.00 2.91 H new ATOM 0 HE ARG A 26 -1.419 6.228 -7.011 1.00 3.64 H new ATOM 0 HH11 ARG A 26 0.560 5.138 -4.273 1.00 5.01 H new ATOM 0 HH12 ARG A 26 1.761 4.326 -5.283 1.00 5.01 H new ATOM 0 HH21 ARG A 26 0.162 5.159 -8.341 1.00 5.37 H new ATOM 0 HH22 ARG A 26 1.535 4.338 -7.592 1.00 5.37 H new ATOM 461 N LEU A 27 -6.731 7.171 -7.446 1.00 0.90 N ATOM 462 CA LEU A 27 -7.825 6.485 -8.009 1.00 0.73 C ATOM 463 C LEU A 27 -8.157 7.036 -9.322 1.00 0.78 C ATOM 464 O LEU A 27 -9.252 6.742 -9.848 1.00 1.03 O ATOM 465 CB LEU A 27 -8.997 6.629 -7.034 1.00 0.72 C ATOM 466 CG LEU A 27 -10.148 5.696 -7.414 1.00 0.80 C ATOM 467 CD1 LEU A 27 -10.861 5.261 -6.133 1.00 1.23 C ATOM 468 CD2 LEU A 27 -11.154 6.432 -8.301 1.00 0.86 C ATOM 0 H LEU A 27 -6.528 8.074 -7.874 1.00 0.90 H new ATOM 0 HA LEU A 27 -7.588 5.432 -8.161 1.00 0.73 H new ATOM 0 HB2 LEU A 27 -8.662 6.404 -6.022 1.00 0.72 H new ATOM 0 HB3 LEU A 27 -9.347 7.661 -7.032 1.00 0.72 H new ATOM 0 HG LEU A 27 -9.752 4.836 -7.954 1.00 0.80 H new ATOM 0 HD11 LEU A 27 -11.686 4.594 -6.384 1.00 1.23 H new ATOM 0 HD12 LEU A 27 -10.157 4.739 -5.484 1.00 1.23 H new ATOM 0 HD13 LEU A 27 -11.249 6.139 -5.616 1.00 1.23 H new ATOM 0 HD21 LEU A 27 -11.968 5.757 -8.565 1.00 0.86 H new ATOM 0 HD22 LEU A 27 -11.554 7.291 -7.762 1.00 0.86 H new ATOM 0 HD23 LEU A 27 -10.657 6.773 -9.209 1.00 0.86 H new ATOM 480 N THR A 28 -7.307 7.863 -9.951 1.00 0.82 N ATOM 481 CA THR A 28 -7.622 8.390 -11.225 1.00 0.94 C ATOM 482 C THR A 28 -7.402 7.356 -12.236 1.00 0.88 C ATOM 483 O THR A 28 -6.841 6.296 -11.898 1.00 0.81 O ATOM 484 CB THR A 28 -6.694 9.575 -11.502 1.00 1.13 C ATOM 485 OG1 THR A 28 -5.355 9.110 -11.581 1.00 1.31 O ATOM 486 CG2 THR A 28 -6.820 10.586 -10.361 1.00 1.26 C ATOM 0 H THR A 28 -6.407 8.162 -9.574 1.00 0.82 H new ATOM 0 HA THR A 28 -8.662 8.714 -11.255 1.00 0.94 H new ATOM 0 HB THR A 28 -6.969 10.051 -12.443 1.00 1.13 H new ATOM 0 HG1 THR A 28 -4.911 9.242 -10.717 1.00 1.31 H new ATOM 0 HG21 THR A 28 -6.161 11.433 -10.551 1.00 1.26 H new ATOM 0 HG22 THR A 28 -7.851 10.935 -10.296 1.00 1.26 H new ATOM 0 HG23 THR A 28 -6.538 10.111 -9.421 1.00 1.26 H new ATOM 494 N PRO A 29 -7.810 7.484 -13.509 1.00 0.93 N ATOM 495 CA PRO A 29 -7.601 6.464 -14.471 1.00 0.90 C ATOM 496 C PRO A 29 -6.264 5.946 -14.485 1.00 0.83 C ATOM 497 O PRO A 29 -6.089 4.739 -14.537 1.00 0.82 O ATOM 498 CB PRO A 29 -7.923 7.169 -15.789 1.00 1.01 C ATOM 499 CG PRO A 29 -8.987 8.182 -15.374 1.00 1.11 C ATOM 500 CD PRO A 29 -8.515 8.628 -13.990 1.00 1.07 C ATOM 0 HA PRO A 29 -8.215 5.588 -14.264 1.00 0.90 H new ATOM 0 HB2 PRO A 29 -7.045 7.655 -16.214 1.00 1.01 H new ATOM 0 HB3 PRO A 29 -8.297 6.473 -16.540 1.00 1.01 H new ATOM 0 HG2 PRO A 29 -9.042 9.018 -16.071 1.00 1.11 H new ATOM 0 HG3 PRO A 29 -9.979 7.733 -15.337 1.00 1.11 H new ATOM 0 HD2 PRO A 29 -7.871 9.505 -14.046 1.00 1.07 H new ATOM 0 HD3 PRO A 29 -9.352 8.888 -13.342 1.00 1.07 H new ATOM 508 N GLU A 30 -5.240 6.764 -14.441 1.00 0.83 N ATOM 509 CA GLU A 30 -3.914 6.279 -14.453 1.00 0.81 C ATOM 510 C GLU A 30 -3.565 5.624 -13.196 1.00 0.79 C ATOM 511 O GLU A 30 -3.107 4.462 -13.214 1.00 0.85 O ATOM 512 CB GLU A 30 -2.953 7.451 -14.654 1.00 0.89 C ATOM 513 CG GLU A 30 -1.519 6.919 -14.693 1.00 1.46 C ATOM 514 CD GLU A 30 -0.592 8.030 -14.884 1.00 2.09 C ATOM 515 OE1 GLU A 30 -0.685 8.754 -15.898 1.00 2.72 O ATOM 516 OE2 GLU A 30 0.298 8.255 -14.035 1.00 2.62 O ATOM 0 H GLU A 30 -5.320 7.780 -14.396 1.00 0.83 H new ATOM 0 HA GLU A 30 -3.836 5.554 -15.263 1.00 0.81 H new ATOM 0 HB2 GLU A 30 -3.186 7.974 -15.582 1.00 0.89 H new ATOM 0 HB3 GLU A 30 -3.065 8.173 -13.845 1.00 0.89 H new ATOM 0 HG2 GLU A 30 -1.289 6.395 -13.765 1.00 1.46 H new ATOM 0 HG3 GLU A 30 -1.410 6.197 -15.502 1.00 1.46 H new ATOM 523 N TRP A 31 -3.712 6.285 -12.038 1.00 0.78 N ATOM 524 CA TRP A 31 -3.322 5.730 -10.797 1.00 0.79 C ATOM 525 C TRP A 31 -4.021 4.476 -10.519 1.00 0.70 C ATOM 526 O TRP A 31 -3.374 3.476 -10.139 1.00 0.71 O ATOM 527 CB TRP A 31 -3.677 6.768 -9.733 1.00 0.93 C ATOM 528 CG TRP A 31 -2.822 7.934 -9.935 1.00 1.38 C ATOM 529 CD1 TRP A 31 -1.705 8.006 -10.763 1.00 2.29 C ATOM 530 CD2 TRP A 31 -2.955 9.188 -9.361 1.00 1.67 C ATOM 531 NE1 TRP A 31 -1.179 9.241 -10.679 1.00 2.57 N ATOM 532 CE2 TRP A 31 -1.923 9.969 -9.834 1.00 2.12 C ATOM 533 CE3 TRP A 31 -3.904 9.688 -8.485 1.00 2.37 C ATOM 534 CZ2 TRP A 31 -1.779 11.290 -9.437 1.00 2.59 C ATOM 535 CZ3 TRP A 31 -3.771 11.014 -8.077 1.00 3.11 C ATOM 536 CH2 TRP A 31 -2.719 11.804 -8.546 1.00 3.01 C ATOM 0 H TRP A 31 -4.110 7.222 -11.969 1.00 0.78 H new ATOM 0 HA TRP A 31 -2.257 5.499 -10.807 1.00 0.79 H new ATOM 0 HB2 TRP A 31 -4.728 7.048 -9.810 1.00 0.93 H new ATOM 0 HB3 TRP A 31 -3.529 6.356 -8.735 1.00 0.93 H new ATOM 0 HD1 TRP A 31 -1.323 7.201 -11.373 1.00 2.29 H new ATOM 0 HE1 TRP A 31 -0.351 9.569 -11.176 1.00 2.57 H new ATOM 0 HE3 TRP A 31 -4.718 9.073 -8.131 1.00 2.37 H new ATOM 0 HZ2 TRP A 31 -0.967 11.899 -9.806 1.00 2.59 H new ATOM 0 HZ3 TRP A 31 -4.490 11.436 -7.390 1.00 3.11 H new ATOM 0 HH2 TRP A 31 -2.633 12.828 -8.213 1.00 3.01 H new ATOM 547 N ARG A 32 -5.347 4.418 -10.693 1.00 0.69 N ATOM 548 CA ARG A 32 -6.118 3.247 -10.504 1.00 0.62 C ATOM 549 C ARG A 32 -5.587 2.148 -11.315 1.00 0.61 C ATOM 550 O ARG A 32 -5.285 1.054 -10.786 1.00 0.60 O ATOM 551 CB ARG A 32 -7.544 3.585 -10.950 1.00 0.66 C ATOM 552 CG ARG A 32 -8.578 2.635 -10.347 1.00 0.89 C ATOM 553 CD ARG A 32 -9.941 2.964 -10.964 1.00 0.80 C ATOM 554 NE ARG A 32 -10.143 4.359 -10.958 1.00 0.83 N ATOM 555 CZ ARG A 32 -10.983 4.917 -11.840 1.00 0.85 C ATOM 556 NH1 ARG A 32 -11.658 4.150 -12.708 1.00 0.82 N ATOM 557 NH2 ARG A 32 -11.137 6.247 -11.852 1.00 0.97 N ATOM 0 H ARG A 32 -5.902 5.225 -10.978 1.00 0.69 H new ATOM 0 HA ARG A 32 -6.093 2.929 -9.462 1.00 0.62 H new ATOM 0 HB2 ARG A 32 -7.781 4.609 -10.660 1.00 0.66 H new ATOM 0 HB3 ARG A 32 -7.603 3.541 -12.037 1.00 0.66 H new ATOM 0 HG2 ARG A 32 -8.308 1.599 -10.551 1.00 0.89 H new ATOM 0 HG3 ARG A 32 -8.613 2.748 -9.263 1.00 0.89 H new ATOM 0 HD2 ARG A 32 -9.990 2.585 -11.985 1.00 0.80 H new ATOM 0 HD3 ARG A 32 -10.734 2.470 -10.402 1.00 0.80 H new ATOM 0 HE ARG A 32 -9.650 4.943 -10.283 1.00 0.83 H new ATOM 0 HH11 ARG A 32 -11.533 3.138 -12.698 1.00 0.82 H new ATOM 0 HH12 ARG A 32 -12.297 4.579 -13.378 1.00 0.82 H new ATOM 0 HH21 ARG A 32 -10.617 6.827 -11.193 1.00 0.97 H new ATOM 0 HH22 ARG A 32 -11.774 6.681 -12.520 1.00 0.97 H new ATOM 571 N ARG A 33 -5.454 2.313 -12.641 1.00 0.66 N ATOM 572 CA ARG A 33 -4.954 1.280 -13.467 1.00 0.69 C ATOM 573 C ARG A 33 -3.519 1.054 -13.287 1.00 0.72 C ATOM 574 O ARG A 33 -2.999 0.040 -13.801 1.00 0.73 O ATOM 575 CB ARG A 33 -5.229 1.653 -14.927 1.00 0.80 C ATOM 576 CG ARG A 33 -4.458 0.733 -15.878 1.00 1.16 C ATOM 577 CD ARG A 33 -3.040 1.285 -16.054 1.00 1.14 C ATOM 578 NE ARG A 33 -2.320 0.506 -16.982 1.00 1.66 N ATOM 579 CZ ARG A 33 -1.043 0.812 -17.252 1.00 2.23 C ATOM 580 NH1 ARG A 33 -0.459 1.851 -16.639 1.00 2.26 N ATOM 581 NH2 ARG A 33 -0.349 0.083 -18.137 1.00 3.10 N ATOM 0 H ARG A 33 -5.697 3.171 -13.137 1.00 0.66 H new ATOM 0 HA ARG A 33 -5.459 0.355 -13.189 1.00 0.69 H new ATOM 0 HB2 ARG A 33 -6.297 1.581 -15.130 1.00 0.80 H new ATOM 0 HB3 ARG A 33 -4.940 2.689 -15.103 1.00 0.80 H new ATOM 0 HG2 ARG A 33 -4.422 -0.280 -15.477 1.00 1.16 H new ATOM 0 HG3 ARG A 33 -4.964 0.677 -16.842 1.00 1.16 H new ATOM 0 HD2 ARG A 33 -3.086 2.319 -16.396 1.00 1.14 H new ATOM 0 HD3 ARG A 33 -2.523 1.289 -15.094 1.00 1.14 H new ATOM 0 HE ARG A 33 -2.767 -0.285 -17.445 1.00 1.66 H new ATOM 0 HH11 ARG A 33 -0.986 2.409 -15.967 1.00 2.26 H new ATOM 0 HH12 ARG A 33 0.513 2.084 -16.844 1.00 2.26 H new ATOM 0 HH21 ARG A 33 -0.792 -0.706 -18.607 1.00 3.10 H new ATOM 0 HH22 ARG A 33 0.622 0.318 -18.341 1.00 3.10 H new ATOM 595 N TYR A 34 -2.751 1.923 -12.616 1.00 0.74 N ATOM 596 CA TYR A 34 -1.374 1.683 -12.435 1.00 0.77 C ATOM 597 C TYR A 34 -1.221 0.683 -11.385 1.00 0.65 C ATOM 598 O TYR A 34 -0.511 -0.330 -11.566 1.00 0.68 O ATOM 599 CB TYR A 34 -0.704 2.990 -12.006 1.00 0.84 C ATOM 600 CG TYR A 34 0.738 2.816 -11.869 1.00 0.87 C ATOM 601 CD1 TYR A 34 1.510 2.581 -13.001 1.00 1.37 C ATOM 602 CD2 TYR A 34 1.346 2.942 -10.625 1.00 1.24 C ATOM 603 CE1 TYR A 34 2.892 2.489 -12.893 1.00 1.65 C ATOM 604 CE2 TYR A 34 2.730 2.855 -10.518 1.00 1.18 C ATOM 605 CZ TYR A 34 3.502 2.637 -11.654 1.00 1.19 C ATOM 606 OH TYR A 34 4.847 2.574 -11.559 1.00 1.43 O ATOM 0 H TYR A 34 -3.091 2.791 -12.201 1.00 0.74 H new ATOM 0 HA TYR A 34 -0.915 1.325 -13.357 1.00 0.77 H new ATOM 0 HB2 TYR A 34 -0.912 3.768 -12.740 1.00 0.84 H new ATOM 0 HB3 TYR A 34 -1.125 3.325 -11.058 1.00 0.84 H new ATOM 0 HD1 TYR A 34 1.035 2.470 -13.965 1.00 1.37 H new ATOM 0 HD2 TYR A 34 0.745 3.107 -9.743 1.00 1.24 H new ATOM 0 HE1 TYR A 34 3.492 2.303 -13.772 1.00 1.65 H new ATOM 0 HE2 TYR A 34 3.205 2.957 -9.553 1.00 1.18 H new ATOM 0 HH TYR A 34 5.131 2.929 -10.691 1.00 1.43 H new ATOM 616 N LEU A 35 -1.875 0.876 -10.232 1.00 0.56 N ATOM 617 CA LEU A 35 -1.776 -0.033 -9.159 1.00 0.49 C ATOM 618 C LEU A 35 -2.295 -1.345 -9.533 1.00 0.45 C ATOM 619 O LEU A 35 -1.681 -2.377 -9.183 1.00 0.46 O ATOM 620 CB LEU A 35 -2.629 0.507 -8.010 1.00 0.58 C ATOM 621 CG LEU A 35 -1.997 1.798 -7.488 1.00 0.66 C ATOM 622 CD1 LEU A 35 -2.900 2.421 -6.422 1.00 1.03 C ATOM 623 CD2 LEU A 35 -0.623 1.477 -6.901 1.00 1.32 C ATOM 0 H LEU A 35 -2.479 1.677 -10.049 1.00 0.56 H new ATOM 0 HA LEU A 35 -0.729 -0.138 -8.876 1.00 0.49 H new ATOM 0 HB2 LEU A 35 -3.646 0.697 -8.353 1.00 0.58 H new ATOM 0 HB3 LEU A 35 -2.695 -0.231 -7.210 1.00 0.58 H new ATOM 0 HG LEU A 35 -1.882 2.512 -8.304 1.00 0.66 H new ATOM 0 HD11 LEU A 35 -2.446 3.341 -6.053 1.00 1.03 H new ATOM 0 HD12 LEU A 35 -3.874 2.646 -6.857 1.00 1.03 H new ATOM 0 HD13 LEU A 35 -3.024 1.721 -5.596 1.00 1.03 H new ATOM 0 HD21 LEU A 35 -0.165 2.392 -6.526 1.00 1.32 H new ATOM 0 HD22 LEU A 35 -0.734 0.765 -6.083 1.00 1.32 H new ATOM 0 HD23 LEU A 35 0.011 1.044 -7.675 1.00 1.32 H new ATOM 635 N SER A 36 -3.403 -1.449 -10.281 1.00 0.47 N ATOM 636 CA SER A 36 -3.940 -2.719 -10.589 1.00 0.48 C ATOM 637 C SER A 36 -3.068 -3.523 -11.446 1.00 0.59 C ATOM 638 O SER A 36 -3.408 -4.700 -11.692 1.00 0.66 O ATOM 639 CB SER A 36 -5.271 -2.549 -11.321 1.00 0.52 C ATOM 640 OG SER A 36 -5.031 -1.979 -12.597 1.00 1.35 O ATOM 0 H SER A 36 -3.918 -0.658 -10.666 1.00 0.47 H new ATOM 0 HA SER A 36 -4.058 -3.237 -9.637 1.00 0.48 H new ATOM 0 HB2 SER A 36 -5.767 -3.514 -11.428 1.00 0.52 H new ATOM 0 HB3 SER A 36 -5.939 -1.910 -10.743 1.00 0.52 H new ATOM 0 HG SER A 36 -5.795 -2.158 -13.184 1.00 1.35 H new ATOM 646 N GLN A 37 -1.947 -3.030 -11.996 1.00 0.67 N ATOM 647 CA GLN A 37 -1.142 -3.843 -12.821 1.00 0.80 C ATOM 648 C GLN A 37 -0.533 -4.930 -12.057 1.00 0.75 C ATOM 649 O GLN A 37 -0.532 -6.088 -12.529 1.00 0.86 O ATOM 650 CB GLN A 37 -0.028 -2.982 -13.420 1.00 0.92 C ATOM 651 CG GLN A 37 0.808 -3.834 -14.377 1.00 1.09 C ATOM 652 CD GLN A 37 -0.053 -4.377 -15.423 1.00 2.00 C ATOM 653 OE1 GLN A 37 -0.120 -5.613 -15.598 1.00 2.72 O ATOM 654 NE2 GLN A 37 -0.766 -3.552 -16.202 1.00 2.66 N ATOM 0 H GLN A 37 -1.608 -2.077 -11.866 1.00 0.67 H new ATOM 0 HA GLN A 37 -1.768 -4.274 -13.602 1.00 0.80 H new ATOM 0 HB2 GLN A 37 -0.455 -2.131 -13.951 1.00 0.92 H new ATOM 0 HB3 GLN A 37 0.603 -2.579 -12.627 1.00 0.92 H new ATOM 0 HG2 GLN A 37 1.601 -3.231 -14.820 1.00 1.09 H new ATOM 0 HG3 GLN A 37 1.291 -4.645 -13.832 1.00 1.09 H new ATOM 0 HE21 GLN A 37 -0.712 -2.543 -16.060 1.00 2.66 H new ATOM 0 HE22 GLN A 37 -1.362 -3.933 -16.937 1.00 2.66 H new ATOM 663 N ARG A 38 0.023 -4.704 -10.858 1.00 0.65 N ATOM 664 CA ARG A 38 0.599 -5.782 -10.154 1.00 0.68 C ATOM 665 C ARG A 38 -0.044 -5.956 -8.855 1.00 0.59 C ATOM 666 O ARG A 38 0.371 -6.854 -8.092 1.00 0.65 O ATOM 667 CB ARG A 38 2.089 -5.526 -9.930 1.00 0.74 C ATOM 668 CG ARG A 38 2.809 -5.455 -11.277 1.00 1.20 C ATOM 669 CD ARG A 38 4.312 -5.364 -11.021 1.00 1.55 C ATOM 670 NE ARG A 38 4.775 -6.600 -10.526 1.00 1.76 N ATOM 671 CZ ARG A 38 5.934 -6.675 -9.856 1.00 2.41 C ATOM 672 NH1 ARG A 38 6.645 -5.568 -9.599 1.00 2.88 N ATOM 673 NH2 ARG A 38 6.376 -7.869 -9.438 1.00 3.06 N ATOM 0 H ARG A 38 0.070 -3.798 -10.392 1.00 0.65 H new ATOM 0 HA ARG A 38 0.459 -6.684 -10.750 1.00 0.68 H new ATOM 0 HB2 ARG A 38 2.229 -4.594 -9.382 1.00 0.74 H new ATOM 0 HB3 ARG A 38 2.517 -6.322 -9.320 1.00 0.74 H new ATOM 0 HG2 ARG A 38 2.580 -6.337 -11.876 1.00 1.20 H new ATOM 0 HG3 ARG A 38 2.468 -4.588 -11.843 1.00 1.20 H new ATOM 0 HD2 ARG A 38 4.835 -5.109 -11.943 1.00 1.55 H new ATOM 0 HD3 ARG A 38 4.523 -4.570 -10.305 1.00 1.55 H new ATOM 0 HE ARG A 38 4.224 -7.444 -10.679 1.00 1.76 H new ATOM 0 HH11 ARG A 38 6.305 -4.659 -9.914 1.00 2.88 H new ATOM 0 HH12 ARG A 38 7.526 -5.635 -9.089 1.00 2.88 H new ATOM 0 HH21 ARG A 38 5.832 -8.710 -9.630 1.00 3.06 H new ATOM 0 HH22 ARG A 38 7.256 -7.937 -8.928 1.00 3.06 H new ATOM 687 N LEU A 39 -1.055 -5.159 -8.480 1.00 0.55 N ATOM 688 CA LEU A 39 -1.670 -5.325 -7.220 1.00 0.47 C ATOM 689 C LEU A 39 -2.431 -6.575 -7.196 1.00 0.51 C ATOM 690 O LEU A 39 -2.306 -7.357 -6.228 1.00 0.53 O ATOM 691 CB LEU A 39 -2.562 -4.113 -6.957 1.00 0.36 C ATOM 692 CG LEU A 39 -3.177 -4.206 -5.563 1.00 0.30 C ATOM 693 CD1 LEU A 39 -2.059 -4.322 -4.526 1.00 0.34 C ATOM 694 CD2 LEU A 39 -3.966 -2.922 -5.301 1.00 0.24 C ATOM 0 H LEU A 39 -1.440 -4.406 -9.050 1.00 0.55 H new ATOM 0 HA LEU A 39 -0.921 -5.389 -6.431 1.00 0.47 H new ATOM 0 HB2 LEU A 39 -1.979 -3.197 -7.045 1.00 0.36 H new ATOM 0 HB3 LEU A 39 -3.350 -4.062 -7.708 1.00 0.36 H new ATOM 0 HG LEU A 39 -3.830 -5.076 -5.496 1.00 0.30 H new ATOM 0 HD11 LEU A 39 -2.493 -4.389 -3.529 1.00 0.34 H new ATOM 0 HD12 LEU A 39 -1.469 -5.217 -4.725 1.00 0.34 H new ATOM 0 HD13 LEU A 39 -1.416 -3.443 -4.584 1.00 0.34 H new ATOM 0 HD21 LEU A 39 -4.415 -2.967 -4.309 1.00 0.24 H new ATOM 0 HD22 LEU A 39 -3.295 -2.065 -5.357 1.00 0.24 H new ATOM 0 HD23 LEU A 39 -4.751 -2.818 -6.050 1.00 0.24 H new ATOM 706 N GLY A 40 -3.235 -6.913 -8.214 1.00 0.56 N ATOM 707 CA GLY A 40 -3.876 -8.171 -8.208 1.00 0.64 C ATOM 708 C GLY A 40 -5.321 -8.063 -8.384 1.00 0.60 C ATOM 709 O GLY A 40 -5.983 -9.102 -8.596 1.00 0.69 O ATOM 0 H GLY A 40 -3.434 -6.324 -9.023 1.00 0.56 H new ATOM 0 HA2 GLY A 40 -3.462 -8.790 -9.004 1.00 0.64 H new ATOM 0 HA3 GLY A 40 -3.665 -8.678 -7.267 1.00 0.64 H new ATOM 713 N LEU A 41 -5.954 -6.884 -8.328 1.00 0.54 N ATOM 714 CA LEU A 41 -7.345 -6.845 -8.561 1.00 0.54 C ATOM 715 C LEU A 41 -7.638 -5.871 -9.608 1.00 0.50 C ATOM 716 O LEU A 41 -6.721 -5.151 -10.058 1.00 0.59 O ATOM 717 CB LEU A 41 -8.144 -6.561 -7.284 1.00 0.56 C ATOM 718 CG LEU A 41 -7.546 -5.419 -6.459 1.00 0.59 C ATOM 719 CD1 LEU A 41 -6.365 -5.945 -5.643 1.00 0.60 C ATOM 720 CD2 LEU A 41 -7.068 -4.292 -7.374 1.00 1.25 C ATOM 0 H LEU A 41 -5.513 -5.986 -8.127 1.00 0.54 H new ATOM 0 HA LEU A 41 -7.661 -7.833 -8.897 1.00 0.54 H new ATOM 0 HB2 LEU A 41 -9.172 -6.313 -7.550 1.00 0.56 H new ATOM 0 HB3 LEU A 41 -8.182 -7.464 -6.675 1.00 0.56 H new ATOM 0 HG LEU A 41 -8.314 -5.029 -5.791 1.00 0.59 H new ATOM 0 HD11 LEU A 41 -5.938 -5.132 -5.055 1.00 0.60 H new ATOM 0 HD12 LEU A 41 -6.708 -6.735 -4.975 1.00 0.60 H new ATOM 0 HD13 LEU A 41 -5.606 -6.343 -6.316 1.00 0.60 H new ATOM 0 HD21 LEU A 41 -6.646 -3.488 -6.771 1.00 1.25 H new ATOM 0 HD22 LEU A 41 -6.307 -4.674 -8.054 1.00 1.25 H new ATOM 0 HD23 LEU A 41 -7.910 -3.909 -7.950 1.00 1.25 H new ATOM 732 N ASN A 42 -8.875 -5.803 -10.124 1.00 0.51 N ATOM 733 CA ASN A 42 -9.170 -4.922 -11.187 1.00 0.53 C ATOM 734 C ASN A 42 -9.327 -3.545 -10.731 1.00 0.43 C ATOM 735 O ASN A 42 -9.463 -3.283 -9.517 1.00 0.38 O ATOM 736 CB ASN A 42 -10.463 -5.358 -11.879 1.00 0.66 C ATOM 737 CG ASN A 42 -10.238 -6.614 -12.588 1.00 0.81 C ATOM 738 OD1 ASN A 42 -9.078 -7.059 -12.722 1.00 1.11 O ATOM 739 ND2 ASN A 42 -11.273 -7.270 -13.131 1.00 1.45 N ATOM 0 H ASN A 42 -9.665 -6.361 -9.800 1.00 0.51 H new ATOM 0 HA ASN A 42 -8.330 -4.961 -11.880 1.00 0.53 H new ATOM 0 HB2 ASN A 42 -11.258 -5.481 -11.143 1.00 0.66 H new ATOM 0 HB3 ASN A 42 -10.791 -4.588 -12.577 1.00 0.66 H new ATOM 0 HD21 ASN A 42 -11.113 -8.132 -13.653 1.00 1.45 H new ATOM 0 HD22 ASN A 42 -12.220 -6.908 -13.022 1.00 1.45 H new ATOM 746 N GLU A 43 -9.342 -2.563 -11.645 1.00 0.47 N ATOM 747 CA GLU A 43 -9.489 -1.211 -11.268 1.00 0.45 C ATOM 748 C GLU A 43 -10.766 -1.013 -10.585 1.00 0.40 C ATOM 749 O GLU A 43 -10.885 -0.129 -9.709 1.00 0.38 O ATOM 750 CB GLU A 43 -9.487 -0.337 -12.525 1.00 0.57 C ATOM 751 CG GLU A 43 -8.241 -0.600 -13.373 1.00 0.68 C ATOM 752 CD GLU A 43 -8.360 -1.900 -14.025 1.00 0.88 C ATOM 753 OE1 GLU A 43 -9.337 -2.142 -14.765 1.00 1.31 O ATOM 754 OE2 GLU A 43 -7.485 -2.773 -13.841 1.00 1.78 O ATOM 0 H GLU A 43 -9.251 -2.715 -12.649 1.00 0.47 H new ATOM 0 HA GLU A 43 -8.668 -0.942 -10.604 1.00 0.45 H new ATOM 0 HB2 GLU A 43 -10.382 -0.539 -13.114 1.00 0.57 H new ATOM 0 HB3 GLU A 43 -9.523 0.715 -12.241 1.00 0.57 H new ATOM 0 HG2 GLU A 43 -8.125 0.184 -14.121 1.00 0.68 H new ATOM 0 HG3 GLU A 43 -7.350 -0.576 -12.746 1.00 0.68 H new ATOM 761 N GLU A 44 -11.806 -1.801 -10.888 1.00 0.46 N ATOM 762 CA GLU A 44 -13.047 -1.649 -10.240 1.00 0.46 C ATOM 763 C GLU A 44 -12.918 -1.965 -8.819 1.00 0.40 C ATOM 764 O GLU A 44 -13.620 -1.357 -7.984 1.00 0.43 O ATOM 765 CB GLU A 44 -14.029 -2.634 -10.877 1.00 0.60 C ATOM 766 CG GLU A 44 -14.286 -2.229 -12.329 1.00 1.05 C ATOM 767 CD GLU A 44 -14.819 -0.870 -12.376 1.00 1.48 C ATOM 768 OE1 GLU A 44 -15.875 -0.589 -11.768 1.00 1.78 O ATOM 769 OE2 GLU A 44 -14.230 0.007 -13.042 1.00 2.31 O ATOM 0 H GLU A 44 -11.778 -2.544 -11.586 1.00 0.46 H new ATOM 0 HA GLU A 44 -13.395 -0.621 -10.342 1.00 0.46 H new ATOM 0 HB2 GLU A 44 -13.624 -3.645 -10.836 1.00 0.60 H new ATOM 0 HB3 GLU A 44 -14.965 -2.643 -10.319 1.00 0.60 H new ATOM 0 HG2 GLU A 44 -13.360 -2.286 -12.902 1.00 1.05 H new ATOM 0 HG3 GLU A 44 -14.990 -2.922 -12.790 1.00 1.05 H new ATOM 776 N GLN A 45 -12.033 -2.884 -8.403 1.00 0.40 N ATOM 777 CA GLN A 45 -11.945 -3.218 -7.036 1.00 0.41 C ATOM 778 C GLN A 45 -11.196 -2.207 -6.296 1.00 0.34 C ATOM 779 O GLN A 45 -11.185 -2.247 -5.046 1.00 0.41 O ATOM 780 CB GLN A 45 -11.252 -4.571 -6.902 1.00 0.51 C ATOM 781 CG GLN A 45 -12.060 -5.613 -7.675 1.00 0.60 C ATOM 782 CD GLN A 45 -13.423 -5.659 -7.153 1.00 0.75 C ATOM 783 OE1 GLN A 45 -14.388 -5.389 -7.900 1.00 0.90 O ATOM 784 NE2 GLN A 45 -13.641 -5.982 -5.871 1.00 0.97 N ATOM 0 H GLN A 45 -11.388 -3.386 -9.013 1.00 0.40 H new ATOM 0 HA GLN A 45 -12.951 -3.266 -6.619 1.00 0.41 H new ATOM 0 HB2 GLN A 45 -10.236 -4.515 -7.292 1.00 0.51 H new ATOM 0 HB3 GLN A 45 -11.176 -4.854 -5.852 1.00 0.51 H new ATOM 0 HG2 GLN A 45 -12.074 -5.364 -8.736 1.00 0.60 H new ATOM 0 HG3 GLN A 45 -11.591 -6.593 -7.584 1.00 0.60 H new ATOM 0 HE21 GLN A 45 -12.855 -6.203 -5.260 1.00 0.97 H new ATOM 0 HE22 GLN A 45 -14.593 -6.007 -5.506 1.00 0.97 H new ATOM 793 N ILE A 46 -10.535 -1.240 -6.948 1.00 0.28 N ATOM 794 CA ILE A 46 -9.901 -0.206 -6.233 1.00 0.30 C ATOM 795 C ILE A 46 -10.970 0.634 -5.711 1.00 0.39 C ATOM 796 O ILE A 46 -10.962 1.004 -4.518 1.00 0.52 O ATOM 797 CB ILE A 46 -9.032 0.627 -7.180 1.00 0.35 C ATOM 798 CG1 ILE A 46 -7.903 -0.231 -7.755 1.00 0.36 C ATOM 799 CG2 ILE A 46 -8.438 1.814 -6.418 1.00 0.45 C ATOM 800 CD1 ILE A 46 -6.999 -0.714 -6.620 1.00 0.38 C ATOM 0 H ILE A 46 -10.445 -1.182 -7.962 1.00 0.28 H new ATOM 0 HA ILE A 46 -9.265 -0.604 -5.442 1.00 0.30 H new ATOM 0 HB ILE A 46 -9.651 0.991 -8.000 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -8.318 -1.084 -8.292 1.00 0.36 H new ATOM 0 HG13 ILE A 46 -7.323 0.347 -8.475 1.00 0.36 H new ATOM 0 HG21 ILE A 46 -7.820 2.407 -7.092 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -9.244 2.434 -6.025 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -7.827 1.448 -5.593 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -6.195 -1.325 -7.030 1.00 0.38 H new ATOM 0 HD12 ILE A 46 -6.573 0.146 -6.103 1.00 0.38 H new ATOM 0 HD13 ILE A 46 -7.583 -1.308 -5.917 1.00 0.38 H new ATOM 812 N GLU A 47 -11.972 0.971 -6.535 1.00 0.38 N ATOM 813 CA GLU A 47 -13.043 1.778 -6.100 1.00 0.47 C ATOM 814 C GLU A 47 -13.820 1.125 -5.046 1.00 0.51 C ATOM 815 O GLU A 47 -14.344 1.836 -4.161 1.00 0.61 O ATOM 816 CB GLU A 47 -13.963 2.026 -7.295 1.00 0.50 C ATOM 817 CG GLU A 47 -13.202 2.804 -8.370 1.00 0.52 C ATOM 818 CD GLU A 47 -14.087 3.038 -9.507 1.00 0.56 C ATOM 819 OE1 GLU A 47 -15.164 3.650 -9.342 1.00 1.21 O ATOM 820 OE2 GLU A 47 -13.773 2.620 -10.643 1.00 1.11 O ATOM 0 H GLU A 47 -12.033 0.677 -7.510 1.00 0.38 H new ATOM 0 HA GLU A 47 -12.638 2.707 -5.699 1.00 0.47 H new ATOM 0 HB2 GLU A 47 -14.316 1.077 -7.699 1.00 0.50 H new ATOM 0 HB3 GLU A 47 -14.843 2.586 -6.980 1.00 0.50 H new ATOM 0 HG2 GLU A 47 -12.848 3.753 -7.968 1.00 0.52 H new ATOM 0 HG3 GLU A 47 -12.322 2.244 -8.687 1.00 0.52 H new ATOM 827 N ARG A 48 -13.980 -0.208 -5.016 1.00 0.47 N ATOM 828 CA ARG A 48 -14.759 -0.812 -4.001 1.00 0.55 C ATOM 829 C ARG A 48 -14.136 -0.711 -2.684 1.00 0.60 C ATOM 830 O ARG A 48 -14.810 -0.265 -1.732 1.00 0.68 O ATOM 831 CB ARG A 48 -14.954 -2.300 -4.307 1.00 0.56 C ATOM 832 CG ARG A 48 -16.260 -2.481 -5.082 1.00 0.63 C ATOM 833 CD ARG A 48 -16.120 -1.856 -6.467 1.00 0.60 C ATOM 834 NE ARG A 48 -17.346 -1.934 -7.155 1.00 0.71 N ATOM 835 CZ ARG A 48 -17.430 -1.454 -8.403 1.00 0.80 C ATOM 836 NH1 ARG A 48 -16.344 -0.934 -8.989 1.00 0.80 N ATOM 837 NH2 ARG A 48 -18.597 -1.494 -9.061 1.00 0.94 N ATOM 0 H ARG A 48 -13.572 -0.856 -5.690 1.00 0.47 H new ATOM 0 HA ARG A 48 -15.710 -0.280 -3.984 1.00 0.55 H new ATOM 0 HB2 ARG A 48 -14.114 -2.678 -4.890 1.00 0.56 H new ATOM 0 HB3 ARG A 48 -14.983 -2.874 -3.381 1.00 0.56 H new ATOM 0 HG2 ARG A 48 -16.498 -3.541 -5.172 1.00 0.63 H new ATOM 0 HG3 ARG A 48 -17.084 -2.014 -4.542 1.00 0.63 H new ATOM 0 HD2 ARG A 48 -15.810 -0.815 -6.376 1.00 0.60 H new ATOM 0 HD3 ARG A 48 -15.343 -2.372 -7.031 1.00 0.60 H new ATOM 0 HE ARG A 48 -18.162 -2.352 -6.708 1.00 0.71 H new ATOM 0 HH11 ARG A 48 -15.457 -0.905 -8.485 1.00 0.80 H new ATOM 0 HH12 ARG A 48 -16.403 -0.567 -9.939 1.00 0.80 H new ATOM 0 HH21 ARG A 48 -19.423 -1.890 -8.612 1.00 0.94 H new ATOM 0 HH22 ARG A 48 -18.660 -1.128 -10.011 1.00 0.94 H new ATOM 851 N TRP A 49 -12.870 -1.083 -2.454 1.00 0.56 N ATOM 852 CA TRP A 49 -12.379 -0.947 -1.138 1.00 0.64 C ATOM 853 C TRP A 49 -12.164 0.467 -0.832 1.00 0.69 C ATOM 854 O TRP A 49 -12.238 0.859 0.352 1.00 0.81 O ATOM 855 CB TRP A 49 -11.106 -1.761 -0.917 1.00 0.75 C ATOM 856 CG TRP A 49 -10.827 -1.793 0.515 1.00 1.06 C ATOM 857 CD1 TRP A 49 -9.697 -1.308 1.166 1.00 0.90 C ATOM 858 CD2 TRP A 49 -11.664 -2.276 1.508 1.00 1.95 C ATOM 859 NE1 TRP A 49 -9.844 -1.492 2.490 1.00 1.29 N ATOM 860 CE2 TRP A 49 -11.035 -2.065 2.716 1.00 1.98 C ATOM 861 CE3 TRP A 49 -12.917 -2.864 1.431 1.00 2.83 C ATOM 862 CZ2 TRP A 49 -11.635 -2.422 3.914 1.00 2.80 C ATOM 863 CZ3 TRP A 49 -13.528 -3.234 2.627 1.00 3.66 C ATOM 864 CH2 TRP A 49 -12.896 -3.013 3.854 1.00 3.63 C ATOM 0 H TRP A 49 -12.219 -1.459 -3.144 1.00 0.56 H new ATOM 0 HA TRP A 49 -13.127 -1.346 -0.453 1.00 0.64 H new ATOM 0 HB2 TRP A 49 -11.230 -2.773 -1.303 1.00 0.75 H new ATOM 0 HB3 TRP A 49 -10.271 -1.315 -1.457 1.00 0.75 H new ATOM 0 HD1 TRP A 49 -8.841 -0.857 0.686 1.00 0.90 H new ATOM 0 HE1 TRP A 49 -9.162 -1.238 3.204 1.00 1.29 H new ATOM 0 HE3 TRP A 49 -13.401 -3.029 0.480 1.00 2.83 H new ATOM 0 HZ2 TRP A 49 -11.143 -2.248 4.860 1.00 2.80 H new ATOM 0 HZ3 TRP A 49 -14.503 -3.698 2.606 1.00 3.66 H new ATOM 0 HH2 TRP A 49 -13.392 -3.304 4.768 1.00 3.63 H new ATOM 875 N PHE A 50 -11.883 1.327 -1.823 1.00 0.65 N ATOM 876 CA PHE A 50 -11.698 2.708 -1.590 1.00 0.72 C ATOM 877 C PHE A 50 -12.858 3.307 -0.938 1.00 0.78 C ATOM 878 O PHE A 50 -12.697 4.051 0.054 1.00 0.89 O ATOM 879 CB PHE A 50 -11.527 3.422 -2.931 1.00 0.72 C ATOM 880 CG PHE A 50 -11.483 4.860 -2.697 1.00 0.86 C ATOM 881 CD1 PHE A 50 -10.347 5.447 -2.153 1.00 1.33 C ATOM 882 CD2 PHE A 50 -12.583 5.642 -3.027 1.00 1.66 C ATOM 883 CE1 PHE A 50 -10.316 6.819 -1.938 1.00 1.54 C ATOM 884 CE2 PHE A 50 -12.554 7.013 -2.804 1.00 2.06 C ATOM 885 CZ PHE A 50 -11.419 7.601 -2.259 1.00 1.68 C ATOM 0 H PHE A 50 -11.784 1.051 -2.800 1.00 0.65 H new ATOM 0 HA PHE A 50 -10.822 2.816 -0.950 1.00 0.72 H new ATOM 0 HB2 PHE A 50 -10.611 3.091 -3.420 1.00 0.72 H new ATOM 0 HB3 PHE A 50 -12.352 3.174 -3.598 1.00 0.72 H new ATOM 0 HD1 PHE A 50 -9.492 4.839 -1.898 1.00 1.33 H new ATOM 0 HD2 PHE A 50 -13.461 5.184 -3.457 1.00 1.66 H new ATOM 0 HE1 PHE A 50 -9.433 7.279 -1.520 1.00 1.54 H new ATOM 0 HE2 PHE A 50 -13.411 7.620 -3.054 1.00 2.06 H new ATOM 0 HZ PHE A 50 -11.394 8.667 -2.085 1.00 1.68 H new ATOM 895 N ARG A 51 -14.092 3.114 -1.423 1.00 0.74 N ATOM 896 CA ARG A 51 -15.182 3.740 -0.787 1.00 0.81 C ATOM 897 C ARG A 51 -15.523 3.009 0.433 1.00 0.87 C ATOM 898 O ARG A 51 -15.868 3.652 1.449 1.00 0.99 O ATOM 899 CB ARG A 51 -16.356 3.890 -1.760 1.00 0.79 C ATOM 900 CG ARG A 51 -16.925 2.540 -2.196 1.00 0.78 C ATOM 901 CD ARG A 51 -18.102 2.177 -1.288 1.00 1.14 C ATOM 902 NE ARG A 51 -18.668 0.961 -1.719 1.00 1.47 N ATOM 903 CZ ARG A 51 -19.985 0.884 -1.951 1.00 1.92 C ATOM 904 NH1 ARG A 51 -20.761 1.964 -1.785 1.00 2.21 N ATOM 905 NH2 ARG A 51 -20.526 -0.275 -2.349 1.00 2.45 N ATOM 0 H ARG A 51 -14.324 2.540 -2.233 1.00 0.74 H new ATOM 0 HA ARG A 51 -14.912 4.752 -0.485 1.00 0.81 H new ATOM 0 HB2 ARG A 51 -17.143 4.478 -1.288 1.00 0.79 H new ATOM 0 HB3 ARG A 51 -16.028 4.444 -2.639 1.00 0.79 H new ATOM 0 HG2 ARG A 51 -17.252 2.587 -3.235 1.00 0.78 H new ATOM 0 HG3 ARG A 51 -16.155 1.771 -2.139 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -17.765 2.088 -0.255 1.00 1.14 H new ATOM 0 HD3 ARG A 51 -18.851 2.968 -1.312 1.00 1.14 H new ATOM 0 HE ARG A 51 -18.076 0.141 -1.854 1.00 1.47 H new ATOM 0 HH11 ARG A 51 -20.349 2.846 -1.482 1.00 2.21 H new ATOM 0 HH12 ARG A 51 -21.764 1.904 -1.962 1.00 2.21 H new ATOM 0 HH21 ARG A 51 -19.935 -1.097 -2.475 1.00 2.45 H new ATOM 0 HH22 ARG A 51 -21.529 -0.336 -2.526 1.00 2.45 H new ATOM 919 N ARG A 52 -15.421 1.671 0.500 1.00 0.83 N ATOM 920 CA ARG A 52 -15.704 0.994 1.711 1.00 0.98 C ATOM 921 C ARG A 52 -14.745 1.353 2.756 1.00 1.11 C ATOM 922 O ARG A 52 -14.980 1.013 3.935 1.00 1.27 O ATOM 923 CB ARG A 52 -15.590 -0.515 1.485 1.00 1.02 C ATOM 924 CG ARG A 52 -16.657 -1.011 0.507 1.00 1.24 C ATOM 925 CD ARG A 52 -17.983 -1.235 1.238 1.00 1.32 C ATOM 926 NE ARG A 52 -18.598 -0.007 1.556 1.00 1.80 N ATOM 927 CZ ARG A 52 -19.618 0.016 2.425 1.00 2.26 C ATOM 928 NH1 ARG A 52 -20.027 -1.120 3.007 1.00 2.17 N ATOM 929 NH2 ARG A 52 -20.235 1.171 2.709 1.00 3.08 N ATOM 0 H ARG A 52 -15.146 1.070 -0.277 1.00 0.83 H new ATOM 0 HA ARG A 52 -16.709 1.278 2.023 1.00 0.98 H new ATOM 0 HB2 ARG A 52 -14.599 -0.753 1.098 1.00 1.02 H new ATOM 0 HB3 ARG A 52 -15.694 -1.037 2.436 1.00 1.02 H new ATOM 0 HG2 ARG A 52 -16.793 -0.284 -0.293 1.00 1.24 H new ATOM 0 HG3 ARG A 52 -16.329 -1.940 0.041 1.00 1.24 H new ATOM 0 HD2 ARG A 52 -18.651 -1.829 0.614 1.00 1.32 H new ATOM 0 HD3 ARG A 52 -17.808 -1.805 2.150 1.00 1.32 H new ATOM 0 HE ARG A 52 -18.269 0.858 1.128 1.00 1.80 H new ATOM 0 HH11 ARG A 52 -19.562 -2.001 2.788 1.00 2.17 H new ATOM 0 HH12 ARG A 52 -20.803 -1.103 3.669 1.00 2.17 H new ATOM 0 HH21 ARG A 52 -19.929 2.036 2.263 1.00 3.08 H new ATOM 0 HH22 ARG A 52 -21.011 1.185 3.371 1.00 3.08 H new ATOM 943 N LYS A 53 -13.623 2.023 2.450 1.00 1.08 N ATOM 944 CA LYS A 53 -12.689 2.435 3.422 1.00 1.25 C ATOM 945 C LYS A 53 -13.302 3.287 4.435 1.00 1.35 C ATOM 946 O LYS A 53 -13.213 3.004 5.649 1.00 1.57 O ATOM 947 CB LYS A 53 -11.610 3.272 2.735 1.00 1.20 C ATOM 948 CG LYS A 53 -10.503 3.591 3.737 1.00 1.31 C ATOM 949 CD LYS A 53 -9.772 2.296 4.082 1.00 1.89 C ATOM 950 CE LYS A 53 -9.234 1.692 2.787 1.00 2.23 C ATOM 951 NZ LYS A 53 -8.331 2.655 2.166 1.00 2.62 N ATOM 0 H LYS A 53 -13.367 2.281 1.497 1.00 1.08 H new ATOM 0 HA LYS A 53 -12.287 1.540 3.896 1.00 1.25 H new ATOM 0 HB2 LYS A 53 -11.200 2.729 1.883 1.00 1.20 H new ATOM 0 HB3 LYS A 53 -12.042 4.195 2.347 1.00 1.20 H new ATOM 0 HG2 LYS A 53 -9.808 4.317 3.315 1.00 1.31 H new ATOM 0 HG3 LYS A 53 -10.925 4.039 4.637 1.00 1.31 H new ATOM 0 HD2 LYS A 53 -8.956 2.494 4.777 1.00 1.89 H new ATOM 0 HD3 LYS A 53 -10.448 1.598 4.575 1.00 1.89 H new ATOM 0 HE2 LYS A 53 -8.709 0.759 2.994 1.00 2.23 H new ATOM 0 HE3 LYS A 53 -10.055 1.453 2.111 1.00 2.23 H new ATOM 0 HZ1 LYS A 53 -7.827 2.200 1.378 1.00 2.62 H new ATOM 0 HZ2 LYS A 53 -8.879 3.463 1.806 1.00 2.62 H new ATOM 0 HZ3 LYS A 53 -7.643 2.990 2.870 1.00 2.62 H new ATOM 965 N GLU A 54 -13.902 4.420 4.046 1.00 1.24 N ATOM 966 CA GLU A 54 -14.413 5.315 5.004 1.00 1.34 C ATOM 967 C GLU A 54 -15.860 5.194 5.130 1.00 1.32 C ATOM 968 O GLU A 54 -16.432 5.754 6.090 1.00 1.39 O ATOM 969 CB GLU A 54 -14.057 6.737 4.567 1.00 1.34 C ATOM 970 CG GLU A 54 -14.653 7.002 3.183 1.00 1.18 C ATOM 971 CD GLU A 54 -14.272 8.338 2.734 1.00 1.29 C ATOM 972 OE1 GLU A 54 -13.064 8.640 2.623 1.00 1.87 O ATOM 973 OE2 GLU A 54 -15.153 9.181 2.460 1.00 1.61 O ATOM 0 H GLU A 54 -14.028 4.707 3.075 1.00 1.24 H new ATOM 0 HA GLU A 54 -13.975 5.083 5.975 1.00 1.34 H new ATOM 0 HB2 GLU A 54 -14.443 7.459 5.287 1.00 1.34 H new ATOM 0 HB3 GLU A 54 -12.974 6.862 4.540 1.00 1.34 H new ATOM 0 HG2 GLU A 54 -14.298 6.254 2.474 1.00 1.18 H new ATOM 0 HG3 GLU A 54 -15.739 6.916 3.221 1.00 1.18 H new ATOM 980 N GLN A 55 -16.574 4.477 4.251 1.00 1.23 N ATOM 981 CA GLN A 55 -17.971 4.391 4.408 1.00 1.27 C ATOM 982 C GLN A 55 -18.301 3.309 5.331 1.00 1.33 C ATOM 983 O GLN A 55 -19.487 3.148 5.692 1.00 1.41 O ATOM 984 CB GLN A 55 -18.631 4.148 3.050 1.00 1.22 C ATOM 985 CG GLN A 55 -18.376 5.345 2.133 1.00 1.34 C ATOM 986 CD GLN A 55 -19.137 6.497 2.608 1.00 2.13 C ATOM 987 OE1 GLN A 55 -18.955 6.938 3.763 1.00 2.59 O ATOM 988 NE2 GLN A 55 -20.038 7.078 1.803 1.00 2.88 N ATOM 0 H GLN A 55 -16.189 3.971 3.453 1.00 1.23 H new ATOM 0 HA GLN A 55 -18.345 5.329 4.819 1.00 1.27 H new ATOM 0 HB2 GLN A 55 -18.232 3.240 2.598 1.00 1.22 H new ATOM 0 HB3 GLN A 55 -19.703 3.997 3.177 1.00 1.22 H new ATOM 0 HG2 GLN A 55 -17.312 5.582 2.115 1.00 1.34 H new ATOM 0 HG3 GLN A 55 -18.666 5.101 1.111 1.00 1.34 H new ATOM 0 HE21 GLN A 55 -20.187 6.718 0.860 1.00 2.88 H new ATOM 0 HE22 GLN A 55 -20.575 7.880 2.133 1.00 2.88 H new ATOM 997 N GLN A 56 -17.341 2.484 5.774 1.00 1.34 N ATOM 998 CA GLN A 56 -17.640 1.458 6.692 1.00 1.42 C ATOM 999 C GLN A 56 -17.982 2.004 8.004 1.00 1.54 C ATOM 1000 O GLN A 56 -18.974 1.554 8.618 1.00 1.59 O ATOM 1001 CB GLN A 56 -16.404 0.570 6.849 1.00 1.47 C ATOM 1002 CG GLN A 56 -16.717 -0.583 7.806 1.00 1.66 C ATOM 1003 CD GLN A 56 -17.777 -1.414 7.244 1.00 1.85 C ATOM 1004 OE1 GLN A 56 -17.628 -1.940 6.120 1.00 2.42 O ATOM 1005 NE2 GLN A 56 -18.912 -1.609 7.930 1.00 2.10 N ATOM 0 H GLN A 56 -16.362 2.534 5.492 1.00 1.34 H new ATOM 0 HA GLN A 56 -18.492 0.893 6.314 1.00 1.42 H new ATOM 0 HB2 GLN A 56 -16.100 0.178 5.878 1.00 1.47 H new ATOM 0 HB3 GLN A 56 -15.569 1.157 7.231 1.00 1.47 H new ATOM 0 HG2 GLN A 56 -15.822 -1.182 7.974 1.00 1.66 H new ATOM 0 HG3 GLN A 56 -17.024 -0.191 8.775 1.00 1.66 H new ATOM 0 HE21 GLN A 56 -19.034 -1.180 8.847 1.00 2.10 H new ATOM 0 HE22 GLN A 56 -19.654 -2.187 7.535 1.00 2.10 H new ATOM 1014 N ILE A 57 -17.234 2.967 8.565 1.00 1.64 N ATOM 1015 CA ILE A 57 -17.543 3.406 9.870 1.00 1.81 C ATOM 1016 C ILE A 57 -17.776 4.845 9.955 1.00 1.89 C ATOM 1017 O ILE A 57 -18.132 5.323 11.054 1.00 2.07 O ATOM 1018 CB ILE A 57 -16.346 3.115 10.775 1.00 1.88 C ATOM 1019 CG1 ILE A 57 -15.177 3.998 10.334 1.00 2.08 C ATOM 1020 CG2 ILE A 57 -15.948 1.640 10.691 1.00 1.87 C ATOM 1021 CD1 ILE A 57 -14.600 3.507 9.004 1.00 2.66 C ATOM 0 H ILE A 57 -16.438 3.426 8.123 1.00 1.64 H new ATOM 0 HA ILE A 57 -18.453 2.883 10.166 1.00 1.81 H new ATOM 0 HB ILE A 57 -16.613 3.332 11.809 1.00 1.88 H new ATOM 0 HG12 ILE A 57 -15.513 5.030 10.232 1.00 2.08 H new ATOM 0 HG13 ILE A 57 -14.400 3.990 11.098 1.00 2.08 H new ATOM 0 HG21 ILE A 57 -15.094 1.456 11.343 1.00 1.87 H new ATOM 0 HG22 ILE A 57 -16.786 1.018 11.006 1.00 1.87 H new ATOM 0 HG23 ILE A 57 -15.680 1.393 9.664 1.00 1.87 H new ATOM 0 HD11 ILE A 57 -13.770 4.149 8.708 1.00 2.66 H new ATOM 0 HD12 ILE A 57 -14.244 2.483 9.118 1.00 2.66 H new ATOM 0 HD13 ILE A 57 -15.374 3.539 8.237 1.00 2.66 H new ATOM 1033 N GLY A 58 -17.597 5.674 8.917 1.00 1.79 N ATOM 1034 CA GLY A 58 -17.803 7.055 9.123 1.00 1.90 C ATOM 1035 C GLY A 58 -16.549 7.793 8.971 1.00 1.88 C ATOM 1036 O GLY A 58 -16.410 8.880 9.570 1.00 1.99 O ATOM 0 H GLY A 58 -17.321 5.398 7.975 1.00 1.79 H new ATOM 0 HA2 GLY A 58 -18.539 7.428 8.411 1.00 1.90 H new ATOM 0 HA3 GLY A 58 -18.211 7.222 10.120 1.00 1.90 H new ATOM 1040 N TRP A 59 -15.565 7.289 8.209 1.00 1.76 N ATOM 1041 CA TRP A 59 -14.360 7.989 7.950 1.00 1.74 C ATOM 1042 C TRP A 59 -13.442 8.084 9.085 1.00 1.84 C ATOM 1043 O TRP A 59 -12.487 8.888 9.008 1.00 1.91 O ATOM 1044 CB TRP A 59 -14.665 9.383 7.392 1.00 1.80 C ATOM 1045 CG TRP A 59 -13.419 10.080 7.091 1.00 2.04 C ATOM 1046 CD1 TRP A 59 -12.550 9.834 6.031 1.00 2.09 C ATOM 1047 CD2 TRP A 59 -12.894 11.164 7.775 1.00 2.50 C ATOM 1048 NE1 TRP A 59 -11.541 10.721 6.081 1.00 2.57 N ATOM 1049 CE2 TRP A 59 -11.735 11.536 7.128 1.00 2.86 C ATOM 1050 CE3 TRP A 59 -13.357 11.839 8.893 1.00 2.73 C ATOM 1051 CZ2 TRP A 59 -10.974 12.605 7.575 1.00 3.47 C ATOM 1052 CZ3 TRP A 59 -12.602 12.918 9.350 1.00 3.31 C ATOM 1053 CH2 TRP A 59 -11.424 13.294 8.700 1.00 3.69 C ATOM 0 H TRP A 59 -15.613 6.372 7.765 1.00 1.76 H new ATOM 0 HA TRP A 59 -13.834 7.389 7.208 1.00 1.74 H new ATOM 0 HB2 TRP A 59 -15.272 9.299 6.490 1.00 1.80 H new ATOM 0 HB3 TRP A 59 -15.246 9.955 8.115 1.00 1.80 H new ATOM 0 HD1 TRP A 59 -12.667 9.057 5.290 1.00 2.09 H new ATOM 0 HE1 TRP A 59 -10.757 10.767 5.430 1.00 2.57 H new ATOM 0 HE3 TRP A 59 -14.268 11.541 9.391 1.00 2.73 H new ATOM 0 HZ2 TRP A 59 -10.064 12.894 7.069 1.00 3.47 H new ATOM 0 HZ3 TRP A 59 -12.932 13.470 10.218 1.00 3.31 H new ATOM 0 HH2 TRP A 59 -10.853 14.131 9.075 1.00 3.69 H new ATOM 1064 N SER A 60 -13.546 7.325 10.187 1.00 1.88 N ATOM 1065 CA SER A 60 -12.569 7.472 11.198 1.00 1.98 C ATOM 1066 C SER A 60 -11.385 6.664 10.888 1.00 1.92 C ATOM 1067 O SER A 60 -10.345 6.810 11.566 1.00 1.98 O ATOM 1068 CB SER A 60 -13.146 7.113 12.571 1.00 2.09 C ATOM 1069 OG SER A 60 -13.502 5.741 12.616 1.00 2.15 O ATOM 0 H SER A 60 -14.278 6.638 10.369 1.00 1.88 H new ATOM 0 HA SER A 60 -12.263 8.517 11.234 1.00 1.98 H new ATOM 0 HB2 SER A 60 -12.413 7.331 13.348 1.00 2.09 H new ATOM 0 HB3 SER A 60 -14.021 7.729 12.777 1.00 2.09 H new ATOM 0 HG SER A 60 -13.867 5.527 13.500 1.00 2.15 H new ATOM 1075 N HIS A 61 -11.426 5.775 9.882 1.00 1.87 N ATOM 1076 CA HIS A 61 -10.300 5.027 9.454 1.00 1.91 C ATOM 1077 C HIS A 61 -9.752 4.064 10.418 1.00 1.97 C ATOM 1078 O HIS A 61 -8.510 4.012 10.553 1.00 2.60 O ATOM 1079 CB HIS A 61 -9.197 6.002 9.025 1.00 2.74 C ATOM 1080 CG HIS A 61 -8.153 5.285 8.298 1.00 3.15 C ATOM 1081 ND1 HIS A 61 -7.212 4.498 8.836 1.00 4.13 N ATOM 1082 CD2 HIS A 61 -7.942 5.302 6.926 1.00 3.11 C ATOM 1083 CE1 HIS A 61 -6.446 4.019 7.845 1.00 4.69 C ATOM 1084 NE2 HIS A 61 -6.895 4.503 6.676 1.00 4.06 N ATOM 0 H HIS A 61 -12.274 5.574 9.352 1.00 1.87 H new ATOM 0 HA HIS A 61 -10.662 4.411 8.631 1.00 1.91 H new ATOM 0 HB2 HIS A 61 -9.618 6.786 8.395 1.00 2.74 H new ATOM 0 HB3 HIS A 61 -8.771 6.491 9.901 1.00 2.74 H new ATOM 0 HD1 HIS A 61 -7.098 4.297 9.830 1.00 4.13 H new ATOM 0 HD2 HIS A 61 -8.514 5.856 6.196 1.00 3.11 H new ATOM 0 HE1 HIS A 61 -5.605 3.353 7.967 1.00 4.69 H new ATOM 0 HE2 HIS A 61 -6.506 4.298 5.756 1.00 4.06 H new ATOM 1093 N PRO A 62 -10.500 3.219 11.148 1.00 1.93 N ATOM 1094 CA PRO A 62 -9.918 2.264 12.006 1.00 2.45 C ATOM 1095 C PRO A 62 -9.850 0.978 11.375 1.00 2.07 C ATOM 1096 O PRO A 62 -9.428 0.023 12.005 1.00 2.31 O ATOM 1097 CB PRO A 62 -10.964 2.154 13.108 1.00 3.15 C ATOM 1098 CG PRO A 62 -12.257 2.235 12.297 1.00 2.98 C ATOM 1099 CD PRO A 62 -11.925 3.213 11.164 1.00 2.10 C ATOM 0 HA PRO A 62 -8.911 2.543 12.317 1.00 2.45 H new ATOM 0 HB2 PRO A 62 -10.883 1.218 13.661 1.00 3.15 H new ATOM 0 HB3 PRO A 62 -10.883 2.962 13.835 1.00 3.15 H new ATOM 0 HG2 PRO A 62 -12.546 1.258 11.909 1.00 2.98 H new ATOM 0 HG3 PRO A 62 -13.087 2.595 12.905 1.00 2.98 H new ATOM 0 HD2 PRO A 62 -12.337 2.881 10.211 1.00 2.10 H new ATOM 0 HD3 PRO A 62 -12.330 4.206 11.358 1.00 2.10 H new ATOM 1107 N GLN A 63 -10.254 0.797 10.139 1.00 1.69 N ATOM 1108 CA GLN A 63 -10.302 -0.510 9.603 1.00 1.52 C ATOM 1109 C GLN A 63 -8.980 -1.006 9.232 1.00 1.57 C ATOM 1110 O GLN A 63 -8.876 -2.182 8.821 1.00 1.92 O ATOM 1111 CB GLN A 63 -11.237 -0.576 8.392 1.00 1.70 C ATOM 1112 CG GLN A 63 -10.609 0.163 7.212 1.00 2.04 C ATOM 1113 CD GLN A 63 -10.584 1.587 7.511 1.00 2.56 C ATOM 1114 OE1 GLN A 63 -11.614 2.158 7.928 1.00 3.20 O ATOM 1115 NE2 GLN A 63 -9.438 2.266 7.383 1.00 2.72 N ATOM 0 H GLN A 63 -10.548 1.540 9.505 1.00 1.69 H new ATOM 0 HA GLN A 63 -10.692 -1.153 10.392 1.00 1.52 H new ATOM 0 HB2 GLN A 63 -11.426 -1.615 8.123 1.00 1.70 H new ATOM 0 HB3 GLN A 63 -12.201 -0.131 8.640 1.00 1.70 H new ATOM 0 HG2 GLN A 63 -9.598 -0.203 7.032 1.00 2.04 H new ATOM 0 HG3 GLN A 63 -11.181 -0.022 6.303 1.00 2.04 H new ATOM 0 HE21 GLN A 63 -8.601 1.794 7.042 1.00 2.72 H new ATOM 0 HE22 GLN A 63 -9.402 3.256 7.627 1.00 2.72 H new ATOM 1124 N PHE A 64 -7.890 -0.231 9.331 1.00 1.51 N ATOM 1125 CA PHE A 64 -6.615 -0.772 9.066 1.00 1.64 C ATOM 1126 C PHE A 64 -6.368 -1.812 10.061 1.00 1.92 C ATOM 1127 O PHE A 64 -5.790 -2.870 9.730 1.00 2.61 O ATOM 1128 CB PHE A 64 -5.534 0.299 9.218 1.00 1.89 C ATOM 1129 CG PHE A 64 -4.240 -0.272 8.847 1.00 3.00 C ATOM 1130 CD1 PHE A 64 -3.936 -0.475 7.506 1.00 3.73 C ATOM 1131 CD2 PHE A 64 -3.311 -0.610 9.824 1.00 3.61 C ATOM 1132 CE1 PHE A 64 -2.706 -1.010 7.143 1.00 4.94 C ATOM 1133 CE2 PHE A 64 -2.084 -1.156 9.463 1.00 4.84 C ATOM 1134 CZ PHE A 64 -1.781 -1.355 8.122 1.00 5.47 C ATOM 0 H PHE A 64 -7.898 0.755 9.591 1.00 1.51 H new ATOM 0 HA PHE A 64 -6.585 -1.162 8.049 1.00 1.64 H new ATOM 0 HB2 PHE A 64 -5.762 1.156 8.585 1.00 1.89 H new ATOM 0 HB3 PHE A 64 -5.505 0.661 10.246 1.00 1.89 H new ATOM 0 HD1 PHE A 64 -4.657 -0.216 6.745 1.00 3.73 H new ATOM 0 HD2 PHE A 64 -3.543 -0.448 10.866 1.00 3.61 H new ATOM 0 HE1 PHE A 64 -2.468 -1.158 6.100 1.00 4.94 H new ATOM 0 HE2 PHE A 64 -1.367 -1.425 10.225 1.00 4.84 H new ATOM 0 HZ PHE A 64 -0.828 -1.777 7.840 1.00 5.47 H new ATOM 1202 N GLU B 2 3.296 -16.923 -0.055 1.00 2.53 N ATOM 1203 CA GLU B 2 3.067 -15.648 -0.642 1.00 2.22 C ATOM 1204 C GLU B 2 3.124 -14.547 0.324 1.00 1.85 C ATOM 1205 O GLU B 2 3.794 -13.532 0.028 1.00 1.99 O ATOM 1206 CB GLU B 2 1.730 -15.585 -1.391 1.00 2.48 C ATOM 1207 CG GLU B 2 1.837 -16.298 -2.743 1.00 2.85 C ATOM 1208 CD GLU B 2 1.977 -17.740 -2.567 1.00 3.41 C ATOM 1209 OE1 GLU B 2 1.088 -18.390 -1.975 1.00 3.75 O ATOM 1210 OE2 GLU B 2 2.975 -18.331 -3.034 1.00 3.99 O ATOM 0 HA GLU B 2 3.884 -15.521 -1.352 1.00 2.22 H new ATOM 0 HB2 GLU B 2 0.948 -16.049 -0.790 1.00 2.48 H new ATOM 0 HB3 GLU B 2 1.441 -14.545 -1.544 1.00 2.48 H new ATOM 0 HG2 GLU B 2 0.950 -16.086 -3.341 1.00 2.85 H new ATOM 0 HG3 GLU B 2 2.694 -15.911 -3.295 1.00 2.85 H new ATOM 1217 N LYS B 3 2.500 -14.607 1.513 1.00 1.85 N ATOM 1218 CA LYS B 3 2.639 -13.575 2.463 1.00 1.95 C ATOM 1219 C LYS B 3 3.987 -13.623 3.025 1.00 1.67 C ATOM 1220 O LYS B 3 4.761 -14.550 2.702 1.00 1.92 O ATOM 1221 CB LYS B 3 1.549 -13.708 3.533 1.00 2.60 C ATOM 1222 CG LYS B 3 1.677 -15.010 4.332 1.00 3.26 C ATOM 1223 CD LYS B 3 2.606 -14.809 5.532 1.00 3.92 C ATOM 1224 CE LYS B 3 2.063 -13.666 6.394 1.00 4.14 C ATOM 1225 NZ LYS B 3 2.925 -13.440 7.554 1.00 4.84 N ATOM 0 H LYS B 3 1.900 -15.377 1.807 1.00 1.85 H new ATOM 0 HA LYS B 3 2.510 -12.599 1.995 1.00 1.95 H new ATOM 0 HB2 LYS B 3 1.605 -12.859 4.214 1.00 2.60 H new ATOM 0 HB3 LYS B 3 0.569 -13.671 3.057 1.00 2.60 H new ATOM 0 HG2 LYS B 3 0.694 -15.332 4.675 1.00 3.26 H new ATOM 0 HG3 LYS B 3 2.066 -15.801 3.691 1.00 3.26 H new ATOM 0 HD2 LYS B 3 2.669 -15.726 6.118 1.00 3.92 H new ATOM 0 HD3 LYS B 3 3.616 -14.578 5.192 1.00 3.92 H new ATOM 0 HE2 LYS B 3 1.998 -12.755 5.800 1.00 4.14 H new ATOM 0 HE3 LYS B 3 1.052 -13.903 6.726 1.00 4.14 H new ATOM 0 HZ1 LYS B 3 2.376 -12.985 8.311 1.00 4.84 H new ATOM 0 HZ2 LYS B 3 3.296 -14.350 7.894 1.00 4.84 H new ATOM 0 HZ3 LYS B 3 3.717 -12.823 7.283 1.00 4.84 H new ATOM 1239 N ARG B 4 4.416 -12.681 3.875 1.00 1.50 N ATOM 1240 CA ARG B 4 5.746 -12.738 4.333 1.00 1.29 C ATOM 1241 C ARG B 4 5.817 -13.070 5.756 1.00 1.50 C ATOM 1242 O ARG B 4 5.542 -12.196 6.605 1.00 1.81 O ATOM 1243 CB ARG B 4 6.351 -11.347 4.138 1.00 1.45 C ATOM 1244 CG ARG B 4 7.824 -11.341 4.544 1.00 1.70 C ATOM 1245 CD ARG B 4 8.684 -11.922 3.421 1.00 2.72 C ATOM 1246 NE ARG B 4 8.488 -13.312 3.333 1.00 3.33 N ATOM 1247 CZ ARG B 4 9.009 -13.998 2.307 1.00 4.45 C ATOM 1248 NH1 ARG B 4 9.707 -13.356 1.361 1.00 5.09 N ATOM 1249 NH2 ARG B 4 8.829 -15.323 2.227 1.00 5.20 N ATOM 0 H ARG B 4 3.856 -11.906 4.231 1.00 1.50 H new ATOM 0 HA ARG B 4 6.280 -13.509 3.778 1.00 1.29 H new ATOM 0 HB2 ARG B 4 6.254 -11.045 3.095 1.00 1.45 H new ATOM 0 HB3 ARG B 4 5.801 -10.618 4.733 1.00 1.45 H new ATOM 0 HG2 ARG B 4 8.143 -10.323 4.767 1.00 1.70 H new ATOM 0 HG3 ARG B 4 7.960 -11.924 5.455 1.00 1.70 H new ATOM 0 HD2 ARG B 4 8.426 -11.450 2.473 1.00 2.72 H new ATOM 0 HD3 ARG B 4 9.736 -11.706 3.609 1.00 2.72 H new ATOM 0 HE ARG B 4 7.949 -13.798 4.050 1.00 3.33 H new ATOM 0 HH11 ARG B 4 9.841 -12.347 1.423 1.00 5.09 H new ATOM 0 HH12 ARG B 4 10.105 -13.876 0.579 1.00 5.09 H new ATOM 0 HH21 ARG B 4 8.295 -15.810 2.947 1.00 5.20 H new ATOM 0 HH22 ARG B 4 9.226 -15.845 1.446 1.00 5.20 H new ATOM 1263 N PRO B 5 6.188 -14.289 6.181 1.00 1.56 N ATOM 1264 CA PRO B 5 6.350 -14.572 7.553 1.00 1.84 C ATOM 1265 C PRO B 5 7.713 -14.337 7.928 1.00 1.57 C ATOM 1266 O PRO B 5 8.074 -14.550 9.074 1.00 1.86 O ATOM 1267 CB PRO B 5 6.081 -16.072 7.610 1.00 2.15 C ATOM 1268 CG PRO B 5 6.694 -16.550 6.293 1.00 2.06 C ATOM 1269 CD PRO B 5 6.428 -15.400 5.316 1.00 1.65 C ATOM 0 HA PRO B 5 5.712 -13.974 8.204 1.00 1.84 H new ATOM 0 HB2 PRO B 5 6.553 -16.539 8.474 1.00 2.15 H new ATOM 0 HB3 PRO B 5 5.016 -16.294 7.670 1.00 2.15 H new ATOM 0 HG2 PRO B 5 7.761 -16.745 6.398 1.00 2.06 H new ATOM 0 HG3 PRO B 5 6.233 -17.477 5.952 1.00 2.06 H new ATOM 0 HD2 PRO B 5 7.280 -15.223 4.660 1.00 1.65 H new ATOM 0 HD3 PRO B 5 5.570 -15.605 4.676 1.00 1.65 H new ATOM 1277 N ARG B 6 8.579 -13.927 7.033 1.00 1.20 N ATOM 1278 CA ARG B 6 9.939 -13.736 7.354 1.00 1.13 C ATOM 1279 C ARG B 6 10.236 -12.356 7.728 1.00 1.07 C ATOM 1280 O ARG B 6 11.424 -12.059 7.975 1.00 1.45 O ATOM 1281 CB ARG B 6 10.792 -14.106 6.142 1.00 1.21 C ATOM 1282 CG ARG B 6 10.614 -15.589 5.820 1.00 1.55 C ATOM 1283 CD ARG B 6 11.460 -15.944 4.596 1.00 1.87 C ATOM 1284 NE ARG B 6 12.811 -15.630 4.848 1.00 2.69 N ATOM 1285 CZ ARG B 6 13.780 -16.495 4.516 1.00 3.24 C ATOM 1286 NH1 ARG B 6 13.473 -17.678 3.967 1.00 3.20 N ATOM 1287 NH2 ARG B 6 15.062 -16.174 4.735 1.00 4.21 N ATOM 0 H ARG B 6 8.341 -13.721 6.063 1.00 1.20 H new ATOM 0 HA ARG B 6 10.166 -14.371 8.210 1.00 1.13 H new ATOM 0 HB2 ARG B 6 10.503 -13.500 5.283 1.00 1.21 H new ATOM 0 HB3 ARG B 6 11.841 -13.891 6.345 1.00 1.21 H new ATOM 0 HG2 ARG B 6 10.915 -16.197 6.673 1.00 1.55 H new ATOM 0 HG3 ARG B 6 9.564 -15.808 5.627 1.00 1.55 H new ATOM 0 HD2 ARG B 6 11.359 -17.005 4.367 1.00 1.87 H new ATOM 0 HD3 ARG B 6 11.105 -15.395 3.724 1.00 1.87 H new ATOM 0 HE ARG B 6 13.052 -14.741 5.285 1.00 2.69 H new ATOM 0 HH11 ARG B 6 12.498 -17.925 3.799 1.00 3.20 H new ATOM 0 HH12 ARG B 6 14.215 -18.332 3.717 1.00 3.20 H new ATOM 0 HH21 ARG B 6 15.298 -15.274 5.153 1.00 4.21 H new ATOM 0 HH22 ARG B 6 15.802 -16.830 4.484 1.00 4.21 H new ATOM 1301 N THR B 7 9.257 -11.440 7.793 1.00 0.98 N ATOM 1302 CA THR B 7 9.485 -10.091 8.159 1.00 0.87 C ATOM 1303 C THR B 7 10.522 -9.457 7.344 1.00 0.88 C ATOM 1304 O THR B 7 11.522 -8.937 7.887 1.00 0.89 O ATOM 1305 CB THR B 7 9.822 -9.957 9.648 1.00 0.86 C ATOM 1306 OG1 THR B 7 11.027 -10.639 9.961 1.00 0.94 O ATOM 1307 CG2 THR B 7 8.671 -10.539 10.471 1.00 0.90 C ATOM 0 H THR B 7 8.281 -11.649 7.584 1.00 0.98 H new ATOM 0 HA THR B 7 8.550 -9.565 7.969 1.00 0.87 H new ATOM 0 HB THR B 7 9.959 -8.902 9.885 1.00 0.86 H new ATOM 0 HG1 THR B 7 11.492 -10.878 9.132 1.00 0.94 H new ATOM 0 HG21 THR B 7 8.901 -10.449 11.533 1.00 0.90 H new ATOM 0 HG22 THR B 7 7.754 -9.993 10.251 1.00 0.90 H new ATOM 0 HG23 THR B 7 8.537 -11.591 10.217 1.00 0.90 H new ATOM 1315 N GLU B 8 10.373 -9.411 6.013 1.00 0.91 N ATOM 1316 CA GLU B 8 11.335 -8.798 5.183 1.00 0.98 C ATOM 1317 C GLU B 8 10.730 -8.491 3.887 1.00 0.96 C ATOM 1318 O GLU B 8 11.457 -8.458 2.872 1.00 1.30 O ATOM 1319 CB GLU B 8 12.581 -9.672 5.015 1.00 1.20 C ATOM 1320 CG GLU B 8 12.223 -11.047 4.450 1.00 1.29 C ATOM 1321 CD GLU B 8 13.442 -11.847 4.351 1.00 1.75 C ATOM 1322 OE1 GLU B 8 14.365 -11.481 3.592 1.00 2.23 O ATOM 1323 OE2 GLU B 8 13.574 -12.887 5.033 1.00 2.26 O ATOM 0 H GLU B 8 9.575 -9.805 5.515 1.00 0.91 H new ATOM 0 HA GLU B 8 11.663 -7.873 5.657 1.00 0.98 H new ATOM 0 HB2 GLU B 8 13.289 -9.176 4.350 1.00 1.20 H new ATOM 0 HB3 GLU B 8 13.077 -9.790 5.978 1.00 1.20 H new ATOM 0 HG2 GLU B 8 11.497 -11.543 5.095 1.00 1.29 H new ATOM 0 HG3 GLU B 8 11.759 -10.943 3.469 1.00 1.29 H new ATOM 1330 N PHE B 9 9.403 -8.266 3.846 1.00 0.75 N ATOM 1331 CA PHE B 9 8.629 -7.942 2.698 1.00 0.68 C ATOM 1332 C PHE B 9 8.745 -8.874 1.573 1.00 0.81 C ATOM 1333 O PHE B 9 9.837 -9.156 1.035 1.00 0.93 O ATOM 1334 CB PHE B 9 8.784 -6.480 2.250 1.00 0.55 C ATOM 1335 CG PHE B 9 10.140 -6.099 1.860 1.00 0.57 C ATOM 1336 CD1 PHE B 9 10.624 -6.432 0.601 1.00 0.87 C ATOM 1337 CD2 PHE B 9 10.950 -5.403 2.752 1.00 0.82 C ATOM 1338 CE1 PHE B 9 11.907 -6.052 0.226 1.00 0.92 C ATOM 1339 CE2 PHE B 9 12.235 -5.026 2.380 1.00 0.89 C ATOM 1340 CZ PHE B 9 12.711 -5.347 1.114 1.00 0.72 C ATOM 0 H PHE B 9 8.831 -8.317 4.689 1.00 0.75 H new ATOM 0 HA PHE B 9 7.606 -8.065 3.054 1.00 0.68 H new ATOM 0 HB2 PHE B 9 8.115 -6.300 1.409 1.00 0.55 H new ATOM 0 HB3 PHE B 9 8.458 -5.829 3.062 1.00 0.55 H new ATOM 0 HD1 PHE B 9 10.003 -6.987 -0.087 1.00 0.87 H new ATOM 0 HD2 PHE B 9 10.579 -5.155 3.736 1.00 0.82 H new ATOM 0 HE1 PHE B 9 12.280 -6.305 -0.756 1.00 0.92 H new ATOM 0 HE2 PHE B 9 12.862 -4.485 3.073 1.00 0.89 H new ATOM 0 HZ PHE B 9 13.706 -5.048 0.820 1.00 0.72 H new ATOM 1350 N SER B 10 7.602 -9.392 1.100 1.00 0.92 N ATOM 1351 CA SER B 10 7.563 -10.312 0.031 1.00 1.07 C ATOM 1352 C SER B 10 7.226 -9.627 -1.211 1.00 0.95 C ATOM 1353 O SER B 10 6.924 -8.415 -1.195 1.00 0.79 O ATOM 1354 CB SER B 10 6.467 -11.343 0.324 1.00 1.27 C ATOM 1355 OG SER B 10 6.353 -12.277 -0.741 1.00 1.65 O ATOM 0 H SER B 10 6.683 -9.159 1.477 1.00 0.92 H new ATOM 0 HA SER B 10 8.538 -10.789 -0.072 1.00 1.07 H new ATOM 0 HB2 SER B 10 6.695 -11.869 1.251 1.00 1.27 H new ATOM 0 HB3 SER B 10 5.514 -10.835 0.471 1.00 1.27 H new ATOM 0 HG SER B 10 5.521 -12.785 -0.643 1.00 1.65 H new ATOM 1361 N GLU B 11 7.215 -10.313 -2.364 1.00 1.08 N ATOM 1362 CA GLU B 11 6.847 -9.687 -3.575 1.00 1.08 C ATOM 1363 C GLU B 11 5.432 -9.327 -3.527 1.00 0.97 C ATOM 1364 O GLU B 11 4.981 -8.461 -4.310 1.00 0.94 O ATOM 1365 CB GLU B 11 7.100 -10.621 -4.760 1.00 1.26 C ATOM 1366 CG GLU B 11 6.663 -9.930 -6.054 1.00 1.21 C ATOM 1367 CD GLU B 11 7.521 -8.781 -6.331 1.00 1.81 C ATOM 1368 OE1 GLU B 11 7.598 -7.844 -5.508 1.00 2.60 O ATOM 1369 OE2 GLU B 11 8.168 -8.727 -7.399 1.00 2.29 O ATOM 0 H GLU B 11 7.462 -11.299 -2.450 1.00 1.08 H new ATOM 0 HA GLU B 11 7.451 -8.789 -3.704 1.00 1.08 H new ATOM 0 HB2 GLU B 11 8.157 -10.881 -4.813 1.00 1.26 H new ATOM 0 HB3 GLU B 11 6.549 -11.552 -4.628 1.00 1.26 H new ATOM 0 HG2 GLU B 11 6.709 -10.635 -6.884 1.00 1.21 H new ATOM 0 HG3 GLU B 11 5.626 -9.606 -5.968 1.00 1.21 H new ATOM 1376 N GLU B 12 4.611 -9.940 -2.662 1.00 0.93 N ATOM 1377 CA GLU B 12 3.252 -9.576 -2.607 1.00 0.82 C ATOM 1378 C GLU B 12 3.058 -8.527 -1.607 1.00 0.71 C ATOM 1379 O GLU B 12 1.925 -8.021 -1.459 1.00 0.70 O ATOM 1380 CB GLU B 12 2.391 -10.793 -2.266 1.00 0.86 C ATOM 1381 CG GLU B 12 2.590 -11.869 -3.336 1.00 1.17 C ATOM 1382 CD GLU B 12 2.386 -11.281 -4.657 1.00 2.12 C ATOM 1383 OE1 GLU B 12 1.351 -10.624 -4.905 1.00 2.45 O ATOM 1384 OE2 GLU B 12 3.264 -11.414 -5.537 1.00 2.73 O ATOM 0 H GLU B 12 4.891 -10.676 -2.013 1.00 0.93 H new ATOM 0 HA GLU B 12 2.949 -9.197 -3.583 1.00 0.82 H new ATOM 0 HB2 GLU B 12 2.665 -11.183 -1.286 1.00 0.86 H new ATOM 0 HB3 GLU B 12 1.341 -10.506 -2.213 1.00 0.86 H new ATOM 0 HG2 GLU B 12 3.593 -12.289 -3.263 1.00 1.17 H new ATOM 0 HG3 GLU B 12 1.889 -12.689 -3.178 1.00 1.17 H new ATOM 1391 N GLN B 13 4.084 -8.101 -0.855 1.00 0.67 N ATOM 1392 CA GLN B 13 3.899 -7.059 0.076 1.00 0.57 C ATOM 1393 C GLN B 13 4.569 -5.866 -0.430 1.00 0.52 C ATOM 1394 O GLN B 13 4.279 -4.745 0.039 1.00 0.47 O ATOM 1395 CB GLN B 13 4.465 -7.432 1.447 1.00 0.62 C ATOM 1396 CG GLN B 13 3.716 -8.648 1.996 1.00 0.82 C ATOM 1397 CD GLN B 13 2.367 -8.246 2.388 1.00 1.47 C ATOM 1398 OE1 GLN B 13 1.598 -7.742 1.542 1.00 2.34 O ATOM 1399 NE2 GLN B 13 1.952 -8.407 3.651 1.00 2.04 N ATOM 0 H GLN B 13 5.030 -8.480 -0.897 1.00 0.67 H new ATOM 0 HA GLN B 13 2.832 -6.875 0.199 1.00 0.57 H new ATOM 0 HB2 GLN B 13 5.529 -7.654 1.365 1.00 0.62 H new ATOM 0 HB3 GLN B 13 4.367 -6.591 2.134 1.00 0.62 H new ATOM 0 HG2 GLN B 13 3.669 -9.433 1.241 1.00 0.82 H new ATOM 0 HG3 GLN B 13 4.248 -9.061 2.853 1.00 0.82 H new ATOM 0 HE21 GLN B 13 2.577 -8.818 4.345 1.00 2.04 H new ATOM 0 HE22 GLN B 13 1.011 -8.119 3.919 1.00 2.04 H new ATOM 1408 N LYS B 14 5.499 -5.966 -1.392 1.00 0.57 N ATOM 1409 CA LYS B 14 6.154 -4.811 -1.875 1.00 0.57 C ATOM 1410 C LYS B 14 5.220 -3.887 -2.520 1.00 0.60 C ATOM 1411 O LYS B 14 5.602 -2.723 -2.764 1.00 0.60 O ATOM 1412 CB LYS B 14 7.257 -5.218 -2.854 1.00 0.65 C ATOM 1413 CG LYS B 14 8.464 -5.710 -2.051 1.00 0.67 C ATOM 1414 CD LYS B 14 9.408 -6.526 -2.938 1.00 1.04 C ATOM 1415 CE LYS B 14 10.018 -5.643 -4.028 1.00 1.36 C ATOM 1416 NZ LYS B 14 9.000 -5.314 -5.024 1.00 1.71 N ATOM 0 H LYS B 14 5.790 -6.841 -1.827 1.00 0.57 H new ATOM 0 HA LYS B 14 6.593 -4.290 -1.024 1.00 0.57 H new ATOM 0 HB2 LYS B 14 6.900 -6.003 -3.521 1.00 0.65 H new ATOM 0 HB3 LYS B 14 7.539 -4.371 -3.480 1.00 0.65 H new ATOM 0 HG2 LYS B 14 8.998 -4.858 -1.630 1.00 0.67 H new ATOM 0 HG3 LYS B 14 8.126 -6.320 -1.214 1.00 0.67 H new ATOM 0 HD2 LYS B 14 10.200 -6.963 -2.330 1.00 1.04 H new ATOM 0 HD3 LYS B 14 8.864 -7.353 -3.394 1.00 1.04 H new ATOM 0 HE2 LYS B 14 10.418 -4.730 -3.588 1.00 1.36 H new ATOM 0 HE3 LYS B 14 10.852 -6.160 -4.503 1.00 1.36 H new ATOM 0 HZ1 LYS B 14 9.424 -5.334 -5.973 1.00 1.71 H new ATOM 0 HZ2 LYS B 14 8.229 -6.010 -4.975 1.00 1.71 H new ATOM 0 HZ3 LYS B 14 8.622 -4.364 -4.833 1.00 1.71 H new ATOM 1430 N LYS B 15 3.967 -4.250 -2.837 1.00 0.68 N ATOM 1431 CA LYS B 15 3.056 -3.287 -3.316 1.00 0.73 C ATOM 1432 C LYS B 15 2.763 -2.383 -2.207 1.00 0.66 C ATOM 1433 O LYS B 15 2.769 -1.147 -2.385 1.00 0.70 O ATOM 1434 CB LYS B 15 1.749 -3.946 -3.767 1.00 0.82 C ATOM 1435 CG LYS B 15 1.794 -4.234 -5.270 1.00 0.97 C ATOM 1436 CD LYS B 15 2.567 -5.517 -5.580 1.00 1.51 C ATOM 1437 CE LYS B 15 1.754 -6.734 -5.131 1.00 1.07 C ATOM 1438 NZ LYS B 15 2.388 -7.950 -5.640 1.00 1.94 N ATOM 0 H LYS B 15 3.598 -5.198 -2.760 1.00 0.68 H new ATOM 0 HA LYS B 15 3.488 -2.763 -4.169 1.00 0.73 H new ATOM 0 HB2 LYS B 15 1.592 -4.873 -3.216 1.00 0.82 H new ATOM 0 HB3 LYS B 15 0.906 -3.293 -3.539 1.00 0.82 H new ATOM 0 HG2 LYS B 15 0.778 -4.320 -5.654 1.00 0.97 H new ATOM 0 HG3 LYS B 15 2.260 -3.395 -5.787 1.00 0.97 H new ATOM 0 HD2 LYS B 15 2.772 -5.580 -6.649 1.00 1.51 H new ATOM 0 HD3 LYS B 15 3.531 -5.504 -5.071 1.00 1.51 H new ATOM 0 HE2 LYS B 15 1.697 -6.767 -4.043 1.00 1.07 H new ATOM 0 HE3 LYS B 15 0.732 -6.660 -5.501 1.00 1.07 H new ATOM 0 HZ1 LYS B 15 1.859 -8.782 -5.309 1.00 1.94 H new ATOM 0 HZ2 LYS B 15 2.390 -7.931 -6.680 1.00 1.94 H new ATOM 0 HZ3 LYS B 15 3.367 -8.002 -5.293 1.00 1.94 H new ATOM 1452 N ALA B 16 2.514 -2.883 -0.989 1.00 0.58 N ATOM 1453 CA ALA B 16 2.249 -2.029 0.101 1.00 0.53 C ATOM 1454 C ALA B 16 3.440 -1.257 0.450 1.00 0.50 C ATOM 1455 O ALA B 16 3.312 -0.083 0.857 1.00 0.60 O ATOM 1456 CB ALA B 16 1.818 -2.871 1.301 1.00 0.46 C ATOM 0 H ALA B 16 2.498 -3.878 -0.767 1.00 0.58 H new ATOM 0 HA ALA B 16 1.454 -1.336 -0.176 1.00 0.53 H new ATOM 0 HB1 ALA B 16 1.611 -2.218 2.149 1.00 0.46 H new ATOM 0 HB2 ALA B 16 0.919 -3.432 1.047 1.00 0.46 H new ATOM 0 HB3 ALA B 16 2.616 -3.565 1.564 1.00 0.46 H new ATOM 1462 N LEU B 17 4.677 -1.765 0.318 1.00 0.44 N ATOM 1463 CA LEU B 17 5.778 -0.947 0.662 1.00 0.46 C ATOM 1464 C LEU B 17 6.038 -0.005 -0.428 1.00 0.57 C ATOM 1465 O LEU B 17 6.847 0.937 -0.263 1.00 0.71 O ATOM 1466 CB LEU B 17 7.046 -1.757 0.943 1.00 0.42 C ATOM 1467 CG LEU B 17 6.950 -2.428 2.315 1.00 0.36 C ATOM 1468 CD1 LEU B 17 6.029 -3.644 2.218 1.00 0.38 C ATOM 1469 CD2 LEU B 17 8.338 -2.875 2.775 1.00 0.38 C ATOM 0 H LEU B 17 4.903 -2.703 -0.013 1.00 0.44 H new ATOM 0 HA LEU B 17 5.519 -0.418 1.579 1.00 0.46 H new ATOM 0 HB2 LEU B 17 7.183 -2.512 0.169 1.00 0.42 H new ATOM 0 HB3 LEU B 17 7.918 -1.104 0.909 1.00 0.42 H new ATOM 0 HG LEU B 17 6.547 -1.717 3.037 1.00 0.36 H new ATOM 0 HD11 LEU B 17 5.958 -4.125 3.193 1.00 0.38 H new ATOM 0 HD12 LEU B 17 5.037 -3.325 1.898 1.00 0.38 H new ATOM 0 HD13 LEU B 17 6.434 -4.351 1.494 1.00 0.38 H new ATOM 0 HD21 LEU B 17 8.261 -3.352 3.752 1.00 0.38 H new ATOM 0 HD22 LEU B 17 8.748 -3.584 2.056 1.00 0.38 H new ATOM 0 HD23 LEU B 17 8.995 -2.008 2.845 1.00 0.38 H new ATOM 1481 N ASP B 18 5.411 -0.129 -1.607 1.00 0.59 N ATOM 1482 CA ASP B 18 5.556 0.891 -2.561 1.00 0.70 C ATOM 1483 C ASP B 18 4.673 1.979 -2.159 1.00 0.73 C ATOM 1484 O ASP B 18 5.081 3.160 -2.106 1.00 0.82 O ATOM 1485 CB ASP B 18 5.216 0.448 -3.980 1.00 0.76 C ATOM 1486 CG ASP B 18 5.401 1.616 -4.836 1.00 0.97 C ATOM 1487 OD1 ASP B 18 6.471 2.263 -4.788 1.00 1.25 O ATOM 1488 OD2 ASP B 18 4.473 2.004 -5.577 1.00 1.74 O ATOM 0 H ASP B 18 4.823 -0.915 -1.884 1.00 0.59 H new ATOM 0 HA ASP B 18 6.602 1.195 -2.589 1.00 0.70 H new ATOM 0 HB2 ASP B 18 5.863 -0.371 -4.296 1.00 0.76 H new ATOM 0 HB3 ASP B 18 4.190 0.084 -4.037 1.00 0.76 H new ATOM 1493 N LEU B 19 3.412 1.670 -1.829 1.00 0.67 N ATOM 1494 CA LEU B 19 2.487 2.657 -1.437 1.00 0.70 C ATOM 1495 C LEU B 19 2.777 3.150 -0.090 1.00 0.70 C ATOM 1496 O LEU B 19 2.102 4.096 0.364 1.00 0.84 O ATOM 1497 CB LEU B 19 1.089 2.036 -1.464 1.00 0.60 C ATOM 1498 CG LEU B 19 0.542 2.025 -2.893 1.00 0.68 C ATOM 1499 CD1 LEU B 19 1.609 1.550 -3.878 1.00 1.16 C ATOM 1500 CD2 LEU B 19 -0.656 1.079 -2.964 1.00 0.69 C ATOM 0 H LEU B 19 3.038 0.721 -1.837 1.00 0.67 H new ATOM 0 HA LEU B 19 2.552 3.502 -2.122 1.00 0.70 H new ATOM 0 HB2 LEU B 19 1.128 1.019 -1.074 1.00 0.60 H new ATOM 0 HB3 LEU B 19 0.420 2.601 -0.815 1.00 0.60 H new ATOM 0 HG LEU B 19 0.243 3.039 -3.160 1.00 0.68 H new ATOM 0 HD11 LEU B 19 1.198 1.550 -4.888 1.00 1.16 H new ATOM 0 HD12 LEU B 19 2.468 2.220 -3.836 1.00 1.16 H new ATOM 0 HD13 LEU B 19 1.924 0.540 -3.615 1.00 1.16 H new ATOM 0 HD21 LEU B 19 -1.050 1.067 -3.980 1.00 0.69 H new ATOM 0 HD22 LEU B 19 -0.342 0.073 -2.684 1.00 0.69 H new ATOM 0 HD23 LEU B 19 -1.431 1.421 -2.278 1.00 0.69 H new ATOM 1512 N ALA B 20 3.739 2.630 0.687 1.00 0.62 N ATOM 1513 CA ALA B 20 3.984 3.214 1.949 1.00 0.69 C ATOM 1514 C ALA B 20 4.746 4.451 1.778 1.00 0.83 C ATOM 1515 O ALA B 20 4.896 5.224 2.749 1.00 1.20 O ATOM 1516 CB ALA B 20 4.773 2.255 2.842 1.00 0.72 C ATOM 0 H ALA B 20 4.326 1.831 0.446 1.00 0.62 H new ATOM 0 HA ALA B 20 3.026 3.430 2.423 1.00 0.69 H new ATOM 0 HB1 ALA B 20 4.952 2.723 3.810 1.00 0.72 H new ATOM 0 HB2 ALA B 20 4.203 1.337 2.983 1.00 0.72 H new ATOM 0 HB3 ALA B 20 5.727 2.021 2.370 1.00 0.72 H new ATOM 1522 N PHE B 21 5.308 4.735 0.594 1.00 0.88 N ATOM 1523 CA PHE B 21 5.995 5.948 0.384 1.00 1.17 C ATOM 1524 C PHE B 21 4.997 7.017 0.314 1.00 1.60 C ATOM 1525 O PHE B 21 5.111 8.033 1.031 1.00 2.21 O ATOM 1526 CB PHE B 21 6.726 5.838 -0.959 1.00 1.29 C ATOM 1527 CG PHE B 21 7.558 7.014 -1.211 1.00 1.15 C ATOM 1528 CD1 PHE B 21 8.863 7.048 -0.735 1.00 1.63 C ATOM 1529 CD2 PHE B 21 7.072 8.081 -1.956 1.00 1.40 C ATOM 1530 CE1 PHE B 21 9.666 8.159 -0.967 1.00 1.73 C ATOM 1531 CE2 PHE B 21 7.869 9.198 -2.182 1.00 1.60 C ATOM 1532 CZ PHE B 21 9.166 9.240 -1.682 1.00 1.50 C ATOM 0 H PHE B 21 5.282 4.116 -0.216 1.00 0.88 H new ATOM 0 HA PHE B 21 6.708 6.156 1.182 1.00 1.17 H new ATOM 0 HB2 PHE B 21 7.348 4.943 -0.964 1.00 1.29 H new ATOM 0 HB3 PHE B 21 5.999 5.726 -1.763 1.00 1.29 H new ATOM 0 HD1 PHE B 21 9.255 6.207 -0.182 1.00 1.63 H new ATOM 0 HD2 PHE B 21 6.072 8.043 -2.361 1.00 1.40 H new ATOM 0 HE1 PHE B 21 10.678 8.182 -0.591 1.00 1.73 H new ATOM 0 HE2 PHE B 21 7.481 10.033 -2.746 1.00 1.60 H new ATOM 0 HZ PHE B 21 9.783 10.111 -1.849 1.00 1.50 H new ATOM 1542 N TYR B 22 4.000 6.856 -0.572 1.00 1.98 N ATOM 1543 CA TYR B 22 2.877 7.700 -0.789 1.00 2.49 C ATOM 1544 C TYR B 22 3.139 9.137 -0.669 1.00 2.37 C ATOM 1545 O TYR B 22 2.364 9.832 0.023 1.00 2.86 O ATOM 1546 CB TYR B 22 1.637 7.275 0.018 1.00 3.05 C ATOM 1547 CG TYR B 22 1.480 7.829 1.366 1.00 4.38 C ATOM 1548 CD1 TYR B 22 2.389 8.713 1.928 1.00 4.57 C ATOM 1549 CD2 TYR B 22 0.324 7.511 2.073 1.00 4.86 C ATOM 1550 CE1 TYR B 22 2.139 9.285 3.169 1.00 5.05 C ATOM 1551 CE2 TYR B 22 0.051 8.108 3.299 1.00 5.32 C ATOM 1552 CZ TYR B 22 0.962 9.000 3.849 1.00 5.69 C ATOM 1553 OH TYR B 22 0.709 9.584 5.038 1.00 5.95 O ATOM 0 H TYR B 22 3.985 6.050 -1.197 1.00 1.98 H new ATOM 0 HA TYR B 22 2.650 7.546 -1.844 1.00 2.49 H new ATOM 0 HB2 TYR B 22 0.752 7.543 -0.560 1.00 3.05 H new ATOM 0 HB3 TYR B 22 1.647 6.188 0.101 1.00 3.05 H new ATOM 0 HD1 TYR B 22 3.297 8.958 1.397 1.00 4.57 H new ATOM 0 HD2 TYR B 22 -0.370 6.791 1.664 1.00 4.86 H new ATOM 0 HE1 TYR B 22 2.864 9.955 3.607 1.00 5.05 H new ATOM 0 HE2 TYR B 22 -0.866 7.879 3.821 1.00 5.32 H new ATOM 0 HH TYR B 22 1.549 9.708 5.527 1.00 5.95 H new ATOM 1563 N PHE B 23 4.195 9.704 -1.278 1.00 2.53 N ATOM 1564 CA PHE B 23 4.477 11.096 -1.229 1.00 3.15 C ATOM 1565 C PHE B 23 5.011 11.544 0.056 1.00 3.06 C ATOM 1566 O PHE B 23 6.088 12.178 0.069 1.00 3.59 O ATOM 1567 CB PHE B 23 3.280 11.961 -1.634 1.00 3.86 C ATOM 1568 CG PHE B 23 3.149 11.957 -3.087 1.00 4.36 C ATOM 1569 CD1 PHE B 23 2.727 10.826 -3.775 1.00 5.13 C ATOM 1570 CD2 PHE B 23 3.427 13.127 -3.784 1.00 4.54 C ATOM 1571 CE1 PHE B 23 2.597 10.865 -5.159 1.00 5.84 C ATOM 1572 CE2 PHE B 23 3.293 13.168 -5.166 1.00 5.32 C ATOM 1573 CZ PHE B 23 2.878 12.035 -5.854 1.00 6.77 C ATOM 0 H PHE B 23 4.873 9.171 -1.822 1.00 2.53 H new ATOM 0 HA PHE B 23 5.263 11.234 -1.971 1.00 3.15 H new ATOM 0 HB2 PHE B 23 2.369 11.578 -1.175 1.00 3.86 H new ATOM 0 HB3 PHE B 23 3.415 12.980 -1.273 1.00 3.86 H new ATOM 0 HD1 PHE B 23 2.500 9.918 -3.236 1.00 5.13 H new ATOM 0 HD2 PHE B 23 3.749 14.008 -3.249 1.00 4.54 H new ATOM 0 HE1 PHE B 23 2.277 9.984 -5.695 1.00 5.84 H new ATOM 0 HE2 PHE B 23 3.511 14.079 -5.704 1.00 5.32 H new ATOM 0 HZ PHE B 23 2.774 12.063 -6.929 1.00 6.77 H new ATOM 1583 N ASP B 24 4.399 11.275 1.218 1.00 2.69 N ATOM 1584 CA ASP B 24 4.959 11.769 2.412 1.00 2.83 C ATOM 1585 C ASP B 24 5.506 10.694 3.238 1.00 2.45 C ATOM 1586 O ASP B 24 5.276 10.695 4.466 1.00 2.75 O ATOM 1587 CB ASP B 24 3.910 12.566 3.192 1.00 3.32 C ATOM 1588 CG ASP B 24 4.517 13.167 4.377 1.00 3.96 C ATOM 1589 OD1 ASP B 24 5.552 13.860 4.275 1.00 4.25 O ATOM 1590 OD2 ASP B 24 4.002 12.982 5.501 1.00 4.51 O ATOM 0 H ASP B 24 3.542 10.731 1.322 1.00 2.69 H new ATOM 0 HA ASP B 24 5.786 12.429 2.148 1.00 2.83 H new ATOM 0 HB2 ASP B 24 3.486 13.344 2.557 1.00 3.32 H new ATOM 0 HB3 ASP B 24 3.089 11.912 3.486 1.00 3.32 H new ATOM 1595 N ARG B 25 6.269 9.752 2.657 1.00 2.47 N ATOM 1596 CA ARG B 25 7.026 8.787 3.369 1.00 2.98 C ATOM 1597 C ARG B 25 6.437 8.229 4.587 1.00 2.30 C ATOM 1598 O ARG B 25 6.913 8.594 5.685 1.00 2.72 O ATOM 1599 CB ARG B 25 8.417 9.352 3.685 1.00 4.08 C ATOM 1600 CG ARG B 25 8.369 10.585 4.589 1.00 4.68 C ATOM 1601 CD ARG B 25 9.805 11.052 4.842 1.00 5.32 C ATOM 1602 NE ARG B 25 9.798 12.239 5.603 1.00 5.75 N ATOM 1603 CZ ARG B 25 10.613 13.251 5.274 1.00 6.57 C ATOM 1604 NH1 ARG B 25 11.439 13.130 4.224 1.00 7.03 N ATOM 1605 NH2 ARG B 25 10.602 14.382 5.992 1.00 7.21 N ATOM 0 H ARG B 25 6.358 9.664 1.645 1.00 2.47 H new ATOM 0 HA ARG B 25 7.064 7.938 2.687 1.00 2.98 H new ATOM 0 HB2 ARG B 25 9.017 8.579 4.165 1.00 4.08 H new ATOM 0 HB3 ARG B 25 8.919 9.611 2.753 1.00 4.08 H new ATOM 0 HG2 ARG B 25 7.789 11.379 4.118 1.00 4.68 H new ATOM 0 HG3 ARG B 25 7.876 10.346 5.531 1.00 4.68 H new ATOM 0 HD2 ARG B 25 10.361 10.276 5.368 1.00 5.32 H new ATOM 0 HD3 ARG B 25 10.314 11.221 3.893 1.00 5.32 H new ATOM 0 HE ARG B 25 9.173 12.328 6.404 1.00 5.75 H new ATOM 0 HH11 ARG B 25 11.446 12.269 3.677 1.00 7.03 H new ATOM 0 HH12 ARG B 25 12.060 13.899 3.972 1.00 7.03 H new ATOM 0 HH21 ARG B 25 9.973 14.474 6.790 1.00 7.21 H new ATOM 0 HH22 ARG B 25 11.223 15.152 5.741 1.00 7.21 H new ATOM 1619 N ARG B 26 5.433 7.334 4.583 1.00 1.75 N ATOM 1620 CA ARG B 26 4.992 6.837 5.832 1.00 1.34 C ATOM 1621 C ARG B 26 6.130 6.183 6.470 1.00 1.19 C ATOM 1622 O ARG B 26 6.535 5.078 6.049 1.00 2.05 O ATOM 1623 CB ARG B 26 3.861 5.811 5.713 1.00 2.02 C ATOM 1624 CG ARG B 26 2.654 6.441 5.024 1.00 2.50 C ATOM 1625 CD ARG B 26 1.442 5.514 5.130 1.00 2.91 C ATOM 1626 NE ARG B 26 1.015 5.474 6.472 1.00 3.64 N ATOM 1627 CZ ARG B 26 -0.197 4.988 6.766 1.00 4.57 C ATOM 1628 NH1 ARG B 26 -1.008 4.580 5.780 1.00 5.01 N ATOM 1629 NH2 ARG B 26 -0.601 4.920 8.041 1.00 5.37 N ATOM 0 H ARG B 26 4.953 6.974 3.758 1.00 1.75 H new ATOM 0 HA ARG B 26 4.604 7.678 6.406 1.00 1.34 H new ATOM 0 HB2 ARG B 26 4.203 4.945 5.146 1.00 2.02 H new ATOM 0 HB3 ARG B 26 3.579 5.452 6.703 1.00 2.02 H new ATOM 0 HG2 ARG B 26 2.426 7.403 5.482 1.00 2.50 H new ATOM 0 HG3 ARG B 26 2.884 6.633 3.976 1.00 2.50 H new ATOM 0 HD2 ARG B 26 0.637 5.872 4.489 1.00 2.91 H new ATOM 0 HD3 ARG B 26 1.702 4.513 4.787 1.00 2.91 H new ATOM 0 HE ARG B 26 1.626 5.813 7.215 1.00 3.64 H new ATOM 0 HH11 ARG B 26 -0.701 4.640 4.809 1.00 5.01 H new ATOM 0 HH12 ARG B 26 -1.932 4.209 6.000 1.00 5.01 H new ATOM 0 HH21 ARG B 26 0.015 5.239 8.789 1.00 5.37 H new ATOM 0 HH22 ARG B 26 -1.525 4.550 8.264 1.00 5.37 H new ATOM 1643 N LEU B 27 6.736 6.792 7.497 1.00 0.90 N ATOM 1644 CA LEU B 27 7.900 6.250 8.074 1.00 0.73 C ATOM 1645 C LEU B 27 8.213 7.011 9.282 1.00 0.77 C ATOM 1646 O LEU B 27 9.381 7.389 9.522 1.00 1.03 O ATOM 1647 CB LEU B 27 9.020 6.353 7.033 1.00 0.72 C ATOM 1648 CG LEU B 27 10.209 5.464 7.398 1.00 0.80 C ATOM 1649 CD1 LEU B 27 10.895 5.036 6.104 1.00 1.23 C ATOM 1650 CD2 LEU B 27 11.222 6.240 8.239 1.00 0.87 C ATOM 0 H LEU B 27 6.413 7.661 7.923 1.00 0.90 H new ATOM 0 HA LEU B 27 7.773 5.205 8.356 1.00 0.73 H new ATOM 0 HB2 LEU B 27 8.636 6.065 6.054 1.00 0.72 H new ATOM 0 HB3 LEU B 27 9.350 7.389 6.954 1.00 0.72 H new ATOM 0 HG LEU B 27 9.854 4.605 7.968 1.00 0.80 H new ATOM 0 HD11 LEU B 27 11.748 4.400 6.338 1.00 1.23 H new ATOM 0 HD12 LEU B 27 10.189 4.483 5.484 1.00 1.23 H new ATOM 0 HD13 LEU B 27 11.238 5.919 5.565 1.00 1.23 H new ATOM 0 HD21 LEU B 27 12.061 5.591 8.489 1.00 0.87 H new ATOM 0 HD22 LEU B 27 11.584 7.098 7.673 1.00 0.87 H new ATOM 0 HD23 LEU B 27 10.745 6.585 9.156 1.00 0.87 H new ATOM 1662 N THR B 28 7.216 7.336 10.116 1.00 0.82 N ATOM 1663 CA THR B 28 7.465 8.071 11.295 1.00 0.93 C ATOM 1664 C THR B 28 7.341 7.137 12.407 1.00 0.87 C ATOM 1665 O THR B 28 6.950 5.980 12.156 1.00 0.80 O ATOM 1666 CB THR B 28 6.420 9.182 11.427 1.00 1.12 C ATOM 1667 OG1 THR B 28 5.143 8.618 11.695 1.00 1.30 O ATOM 1668 CG2 THR B 28 6.351 9.961 10.114 1.00 1.25 C ATOM 0 H THR B 28 6.238 7.086 9.968 1.00 0.82 H new ATOM 0 HA THR B 28 8.455 8.528 11.280 1.00 0.93 H new ATOM 0 HB THR B 28 6.702 9.844 12.245 1.00 1.12 H new ATOM 0 HG1 THR B 28 4.555 8.757 10.923 1.00 1.30 H new ATOM 0 HG21 THR B 28 5.609 10.754 10.200 1.00 1.25 H new ATOM 0 HG22 THR B 28 7.326 10.398 9.899 1.00 1.25 H new ATOM 0 HG23 THR B 28 6.069 9.287 9.305 1.00 1.25 H new ATOM 1676 N PRO B 29 7.641 7.456 13.675 1.00 0.93 N ATOM 1677 CA PRO B 29 7.473 6.526 14.728 1.00 0.90 C ATOM 1678 C PRO B 29 6.161 5.948 14.748 1.00 0.82 C ATOM 1679 O PRO B 29 6.026 4.761 14.998 1.00 0.81 O ATOM 1680 CB PRO B 29 7.694 7.374 15.981 1.00 1.01 C ATOM 1681 CG PRO B 29 8.642 8.469 15.497 1.00 1.10 C ATOM 1682 CD PRO B 29 8.162 8.725 14.067 1.00 1.06 C ATOM 0 HA PRO B 29 8.154 5.680 14.635 1.00 0.90 H new ATOM 0 HB2 PRO B 29 6.759 7.788 16.357 1.00 1.01 H new ATOM 0 HB3 PRO B 29 8.132 6.790 16.790 1.00 1.01 H new ATOM 0 HG2 PRO B 29 8.573 9.365 16.113 1.00 1.10 H new ATOM 0 HG3 PRO B 29 9.682 8.144 15.522 1.00 1.10 H new ATOM 0 HD2 PRO B 29 7.400 9.504 14.030 1.00 1.06 H new ATOM 0 HD3 PRO B 29 8.977 9.045 13.418 1.00 1.06 H new ATOM 1690 N GLU B 30 5.111 6.693 14.502 1.00 0.82 N ATOM 1691 CA GLU B 30 3.812 6.143 14.518 1.00 0.81 C ATOM 1692 C GLU B 30 3.494 5.461 13.266 1.00 0.79 C ATOM 1693 O GLU B 30 3.085 4.281 13.298 1.00 0.84 O ATOM 1694 CB GLU B 30 2.798 7.270 14.722 1.00 0.88 C ATOM 1695 CG GLU B 30 1.387 6.678 14.761 1.00 1.45 C ATOM 1696 CD GLU B 30 0.415 7.745 14.981 1.00 2.08 C ATOM 1697 OE1 GLU B 30 0.344 8.702 14.180 1.00 2.61 O ATOM 1698 OE2 GLU B 30 -0.342 7.705 15.975 1.00 2.70 O ATOM 0 H GLU B 30 5.150 7.690 14.288 1.00 0.82 H new ATOM 0 HA GLU B 30 3.768 5.416 15.329 1.00 0.81 H new ATOM 0 HB2 GLU B 30 3.008 7.801 15.651 1.00 0.88 H new ATOM 0 HB3 GLU B 30 2.878 7.997 13.914 1.00 0.88 H new ATOM 0 HG2 GLU B 30 1.172 6.163 13.825 1.00 1.45 H new ATOM 0 HG3 GLU B 30 1.315 5.936 15.557 1.00 1.45 H new ATOM 1705 N TRP B 31 3.620 6.107 12.098 1.00 0.77 N ATOM 1706 CA TRP B 31 3.229 5.512 10.875 1.00 0.78 C ATOM 1707 C TRP B 31 3.984 4.296 10.577 1.00 0.69 C ATOM 1708 O TRP B 31 3.375 3.283 10.176 1.00 0.70 O ATOM 1709 CB TRP B 31 3.451 6.544 9.771 1.00 0.92 C ATOM 1710 CG TRP B 31 2.501 7.636 9.961 1.00 1.37 C ATOM 1711 CD1 TRP B 31 1.472 7.693 10.898 1.00 2.28 C ATOM 1712 CD2 TRP B 31 2.435 8.823 9.249 1.00 1.67 C ATOM 1713 NE1 TRP B 31 0.812 8.856 10.752 1.00 2.57 N ATOM 1714 CE2 TRP B 31 1.379 9.550 9.755 1.00 2.12 C ATOM 1715 CE3 TRP B 31 3.225 9.302 8.216 1.00 2.37 C ATOM 1716 CZ2 TRP B 31 1.051 10.794 9.237 1.00 2.59 C ATOM 1717 CZ3 TRP B 31 2.905 10.550 7.687 1.00 3.12 C ATOM 1718 CH2 TRP B 31 1.829 11.286 8.190 1.00 3.02 C ATOM 0 H TRP B 31 3.997 7.050 12.006 1.00 0.77 H new ATOM 0 HA TRP B 31 2.182 5.217 10.945 1.00 0.78 H new ATOM 0 HB2 TRP B 31 4.473 6.921 9.805 1.00 0.92 H new ATOM 0 HB3 TRP B 31 3.312 6.087 8.791 1.00 0.92 H new ATOM 0 HD1 TRP B 31 1.241 6.927 11.624 1.00 2.28 H new ATOM 0 HE1 TRP B 31 0.012 9.160 11.308 1.00 2.57 H new ATOM 0 HE3 TRP B 31 4.058 8.729 7.835 1.00 2.37 H new ATOM 0 HZ2 TRP B 31 0.221 11.362 9.631 1.00 2.59 H new ATOM 0 HZ3 TRP B 31 3.496 10.954 6.878 1.00 3.12 H new ATOM 0 HH2 TRP B 31 1.597 12.250 7.762 1.00 3.02 H new ATOM 1729 N ARG B 32 5.310 4.258 10.760 1.00 0.68 N ATOM 1730 CA ARG B 32 6.077 3.101 10.489 1.00 0.61 C ATOM 1731 C ARG B 32 5.614 1.979 11.311 1.00 0.61 C ATOM 1732 O ARG B 32 5.422 0.852 10.802 1.00 0.60 O ATOM 1733 CB ARG B 32 7.519 3.452 10.866 1.00 0.66 C ATOM 1734 CG ARG B 32 8.530 2.508 10.219 1.00 0.89 C ATOM 1735 CD ARG B 32 9.921 2.872 10.746 1.00 0.80 C ATOM 1736 NE ARG B 32 10.074 4.274 10.729 1.00 0.83 N ATOM 1737 CZ ARG B 32 10.756 4.886 11.707 1.00 0.85 C ATOM 1738 NH1 ARG B 32 11.338 4.166 12.676 1.00 0.82 N ATOM 1739 NH2 ARG B 32 10.860 6.222 11.718 1.00 0.97 N ATOM 0 H ARG B 32 5.856 5.049 11.103 1.00 0.68 H new ATOM 0 HA ARG B 32 5.989 2.806 9.443 1.00 0.61 H new ATOM 0 HB2 ARG B 32 7.734 4.476 10.561 1.00 0.66 H new ATOM 0 HB3 ARG B 32 7.629 3.413 11.950 1.00 0.66 H new ATOM 0 HG2 ARG B 32 8.291 1.472 10.458 1.00 0.89 H new ATOM 0 HG3 ARG B 32 8.497 2.601 9.133 1.00 0.89 H new ATOM 0 HD2 ARG B 32 10.049 2.493 11.760 1.00 0.80 H new ATOM 0 HD3 ARG B 32 10.689 2.403 10.131 1.00 0.80 H new ATOM 0 HE ARG B 32 9.665 4.822 9.972 1.00 0.83 H new ATOM 0 HH11 ARG B 32 11.263 3.149 12.671 1.00 0.82 H new ATOM 0 HH12 ARG B 32 11.856 4.635 13.419 1.00 0.82 H new ATOM 0 HH21 ARG B 32 10.420 6.774 10.982 1.00 0.97 H new ATOM 0 HH22 ARG B 32 11.379 6.687 12.463 1.00 0.97 H new ATOM 1753 N ARG B 33 5.386 2.174 12.619 1.00 0.66 N ATOM 1754 CA ARG B 33 4.927 1.128 13.452 1.00 0.69 C ATOM 1755 C ARG B 33 3.500 0.866 13.268 1.00 0.71 C ATOM 1756 O ARG B 33 3.001 -0.167 13.765 1.00 0.73 O ATOM 1757 CB ARG B 33 5.196 1.517 14.908 1.00 0.79 C ATOM 1758 CG ARG B 33 4.445 0.589 15.865 1.00 1.15 C ATOM 1759 CD ARG B 33 3.017 1.115 16.040 1.00 1.14 C ATOM 1760 NE ARG B 33 2.310 0.322 16.966 1.00 1.66 N ATOM 1761 CZ ARG B 33 1.029 0.606 17.239 1.00 2.23 C ATOM 1762 NH1 ARG B 33 0.426 1.637 16.630 1.00 2.27 N ATOM 1763 NH2 ARG B 33 0.348 -0.135 18.124 1.00 3.10 N ATOM 0 H ARG B 33 5.523 3.065 13.096 1.00 0.66 H new ATOM 0 HA ARG B 33 5.460 0.215 13.187 1.00 0.69 H new ATOM 0 HB2 ARG B 33 6.266 1.468 15.111 1.00 0.79 H new ATOM 0 HB3 ARG B 33 4.887 2.549 15.077 1.00 0.79 H new ATOM 0 HG2 ARG B 33 4.428 -0.427 15.470 1.00 1.15 H new ATOM 0 HG3 ARG B 33 4.953 0.548 16.828 1.00 1.15 H new ATOM 0 HD2 ARG B 33 3.043 2.149 16.383 1.00 1.14 H new ATOM 0 HD3 ARG B 33 2.501 1.111 15.080 1.00 1.14 H new ATOM 0 HE ARG B 33 2.771 -0.463 17.426 1.00 1.66 H new ATOM 0 HH11 ARG B 33 0.942 2.206 15.959 1.00 2.27 H new ATOM 0 HH12 ARG B 33 -0.549 1.853 16.838 1.00 2.27 H new ATOM 0 HH21 ARG B 33 0.805 -0.918 18.592 1.00 3.10 H new ATOM 0 HH22 ARG B 33 -0.627 0.084 18.329 1.00 3.10 H new ATOM 1777 N TYR B 34 2.716 1.733 12.612 1.00 0.73 N ATOM 1778 CA TYR B 34 1.343 1.477 12.424 1.00 0.76 C ATOM 1779 C TYR B 34 1.212 0.485 11.364 1.00 0.64 C ATOM 1780 O TYR B 34 0.491 -0.524 11.520 1.00 0.67 O ATOM 1781 CB TYR B 34 0.665 2.784 12.009 1.00 0.83 C ATOM 1782 CG TYR B 34 -0.781 2.617 11.911 1.00 0.86 C ATOM 1783 CD1 TYR B 34 -1.525 2.386 13.062 1.00 1.37 C ATOM 1784 CD2 TYR B 34 -1.421 2.747 10.684 1.00 1.23 C ATOM 1785 CE1 TYR B 34 -2.910 2.301 12.989 1.00 1.64 C ATOM 1786 CE2 TYR B 34 -2.807 2.669 10.612 1.00 1.18 C ATOM 1787 CZ TYR B 34 -3.552 2.451 11.765 1.00 1.18 C ATOM 1788 OH TYR B 34 -4.899 2.391 11.703 1.00 1.42 O ATOM 0 H TYR B 34 3.043 2.613 12.213 1.00 0.73 H new ATOM 0 HA TYR B 34 0.878 1.102 13.336 1.00 0.76 H new ATOM 0 HB2 TYR B 34 0.896 3.564 12.735 1.00 0.83 H new ATOM 0 HB3 TYR B 34 1.062 3.115 11.049 1.00 0.83 H new ATOM 0 HD1 TYR B 34 -1.027 2.273 14.013 1.00 1.37 H new ATOM 0 HD2 TYR B 34 -0.842 2.909 9.787 1.00 1.23 H new ATOM 0 HE1 TYR B 34 -3.488 2.118 13.883 1.00 1.64 H new ATOM 0 HE2 TYR B 34 -3.305 2.778 9.660 1.00 1.18 H new ATOM 0 HH TYR B 34 -5.203 2.747 10.842 1.00 1.42 H new ATOM 1798 N LEU B 35 1.901 0.679 10.232 1.00 0.55 N ATOM 1799 CA LEU B 35 1.831 -0.222 9.150 1.00 0.49 C ATOM 1800 C LEU B 35 2.329 -1.539 9.527 1.00 0.45 C ATOM 1801 O LEU B 35 1.705 -2.565 9.177 1.00 0.46 O ATOM 1802 CB LEU B 35 2.738 0.305 8.038 1.00 0.57 C ATOM 1803 CG LEU B 35 2.166 1.616 7.503 1.00 0.66 C ATOM 1804 CD1 LEU B 35 3.116 2.189 6.449 1.00 1.03 C ATOM 1805 CD2 LEU B 35 0.787 1.350 6.902 1.00 1.32 C ATOM 0 H LEU B 35 2.515 1.478 10.072 1.00 0.55 H new ATOM 0 HA LEU B 35 0.791 -0.307 8.835 1.00 0.49 H new ATOM 0 HB2 LEU B 35 3.747 0.463 8.419 1.00 0.57 H new ATOM 0 HB3 LEU B 35 2.812 -0.428 7.235 1.00 0.57 H new ATOM 0 HG LEU B 35 2.064 2.342 8.310 1.00 0.66 H new ATOM 0 HD11 LEU B 35 2.711 3.125 6.065 1.00 1.03 H new ATOM 0 HD12 LEU B 35 4.091 2.373 6.900 1.00 1.03 H new ATOM 0 HD13 LEU B 35 3.224 1.477 5.631 1.00 1.03 H new ATOM 0 HD21 LEU B 35 0.372 2.282 6.518 1.00 1.32 H new ATOM 0 HD22 LEU B 35 0.877 0.630 6.089 1.00 1.32 H new ATOM 0 HD23 LEU B 35 0.127 0.948 7.670 1.00 1.32 H new ATOM 1817 N SER B 36 3.439 -1.651 10.272 1.00 0.46 N ATOM 1818 CA SER B 36 3.969 -2.923 10.580 1.00 0.48 C ATOM 1819 C SER B 36 3.086 -3.728 11.424 1.00 0.59 C ATOM 1820 O SER B 36 3.413 -4.911 11.659 1.00 0.66 O ATOM 1821 CB SER B 36 5.296 -2.758 11.320 1.00 0.52 C ATOM 1822 OG SER B 36 5.054 -2.178 12.592 1.00 1.35 O ATOM 0 H SER B 36 3.961 -0.863 10.655 1.00 0.46 H new ATOM 0 HA SER B 36 4.094 -3.440 9.629 1.00 0.48 H new ATOM 0 HB2 SER B 36 5.784 -3.726 11.436 1.00 0.52 H new ATOM 0 HB3 SER B 36 5.972 -2.127 10.742 1.00 0.52 H new ATOM 0 HG SER B 36 5.839 -2.307 13.165 1.00 1.35 H new ATOM 1828 N GLN B 37 1.965 -3.232 11.971 1.00 0.67 N ATOM 1829 CA GLN B 37 1.145 -4.049 12.777 1.00 0.80 C ATOM 1830 C GLN B 37 0.530 -5.111 11.983 1.00 0.75 C ATOM 1831 O GLN B 37 0.510 -6.280 12.427 1.00 0.86 O ATOM 1832 CB GLN B 37 0.037 -3.183 13.380 1.00 0.91 C ATOM 1833 CG GLN B 37 -0.812 -4.035 14.326 1.00 1.09 C ATOM 1834 CD GLN B 37 0.039 -4.589 15.376 1.00 1.99 C ATOM 1835 OE1 GLN B 37 0.095 -5.826 15.547 1.00 2.71 O ATOM 1836 NE2 GLN B 37 0.754 -3.772 16.160 1.00 2.65 N ATOM 0 H GLN B 37 1.636 -2.274 11.852 1.00 0.67 H new ATOM 0 HA GLN B 37 1.756 -4.503 13.558 1.00 0.80 H new ATOM 0 HB2 GLN B 37 0.471 -2.341 13.920 1.00 0.91 H new ATOM 0 HB3 GLN B 37 -0.586 -2.767 12.589 1.00 0.91 H new ATOM 0 HG2 GLN B 37 -1.604 -3.429 14.766 1.00 1.09 H new ATOM 0 HG3 GLN B 37 -1.296 -4.840 13.773 1.00 1.09 H new ATOM 0 HE21 GLN B 37 0.709 -2.763 16.021 1.00 2.65 H new ATOM 0 HE22 GLN B 37 1.344 -4.159 16.896 1.00 2.65 H new ATOM 1845 N ARG B 38 -0.014 -4.846 10.786 1.00 0.65 N ATOM 1846 CA ARG B 38 -0.603 -5.896 10.051 1.00 0.68 C ATOM 1847 C ARG B 38 0.042 -6.051 8.750 1.00 0.59 C ATOM 1848 O ARG B 38 -0.399 -6.910 7.957 1.00 0.65 O ATOM 1849 CB ARG B 38 -2.087 -5.607 9.825 1.00 0.74 C ATOM 1850 CG ARG B 38 -2.811 -5.553 11.171 1.00 1.20 C ATOM 1851 CD ARG B 38 -4.313 -5.447 10.912 1.00 1.55 C ATOM 1852 NE ARG B 38 -4.778 -6.670 10.386 1.00 1.77 N ATOM 1853 CZ ARG B 38 -5.922 -6.725 9.691 1.00 2.42 C ATOM 1854 NH1 ARG B 38 -6.618 -5.608 9.432 1.00 2.88 N ATOM 1855 NH2 ARG B 38 -6.366 -7.909 9.248 1.00 3.07 N ATOM 0 H ARG B 38 -0.043 -3.928 10.343 1.00 0.65 H new ATOM 0 HA ARG B 38 -0.479 -6.814 10.625 1.00 0.68 H new ATOM 0 HB2 ARG B 38 -2.207 -4.660 9.298 1.00 0.74 H new ATOM 0 HB3 ARG B 38 -2.527 -6.381 9.195 1.00 0.74 H new ATOM 0 HG2 ARG B 38 -2.590 -6.446 11.756 1.00 1.20 H new ATOM 0 HG3 ARG B 38 -2.466 -4.698 11.752 1.00 1.20 H new ATOM 0 HD2 ARG B 38 -4.838 -5.212 11.838 1.00 1.55 H new ATOM 0 HD3 ARG B 38 -4.518 -4.635 10.214 1.00 1.55 H new ATOM 0 HE ARG B 38 -4.238 -7.522 10.536 1.00 1.77 H new ATOM 0 HH11 ARG B 38 -6.277 -4.706 9.765 1.00 2.88 H new ATOM 0 HH12 ARG B 38 -7.488 -5.661 8.902 1.00 2.88 H new ATOM 0 HH21 ARG B 38 -5.834 -8.758 9.441 1.00 3.07 H new ATOM 0 HH22 ARG B 38 -7.236 -7.962 8.718 1.00 3.07 H new ATOM 1869 N LEU B 39 1.085 -5.283 8.401 1.00 0.55 N ATOM 1870 CA LEU B 39 1.690 -5.440 7.135 1.00 0.47 C ATOM 1871 C LEU B 39 2.446 -6.692 7.094 1.00 0.51 C ATOM 1872 O LEU B 39 2.306 -7.467 6.123 1.00 0.53 O ATOM 1873 CB LEU B 39 2.580 -4.228 6.864 1.00 0.36 C ATOM 1874 CG LEU B 39 3.168 -4.324 5.458 1.00 0.30 C ATOM 1875 CD1 LEU B 39 2.030 -4.451 4.446 1.00 0.34 C ATOM 1876 CD2 LEU B 39 3.945 -3.038 5.168 1.00 0.24 C ATOM 0 H LEU B 39 1.500 -4.563 8.993 1.00 0.55 H new ATOM 0 HA LEU B 39 0.932 -5.495 6.354 1.00 0.47 H new ATOM 0 HB2 LEU B 39 2.001 -3.310 6.964 1.00 0.36 H new ATOM 0 HB3 LEU B 39 3.382 -4.181 7.601 1.00 0.36 H new ATOM 0 HG LEU B 39 3.825 -5.191 5.385 1.00 0.30 H new ATOM 0 HD11 LEU B 39 2.444 -4.520 3.440 1.00 0.34 H new ATOM 0 HD12 LEU B 39 1.450 -5.348 4.662 1.00 0.34 H new ATOM 0 HD13 LEU B 39 1.384 -3.576 4.513 1.00 0.34 H new ATOM 0 HD21 LEU B 39 4.372 -3.089 4.167 1.00 0.24 H new ATOM 0 HD22 LEU B 39 3.271 -2.184 5.232 1.00 0.24 H new ATOM 0 HD23 LEU B 39 4.746 -2.924 5.899 1.00 0.24 H new ATOM 1888 N GLY B 40 3.258 -7.041 8.102 1.00 0.56 N ATOM 1889 CA GLY B 40 3.895 -8.302 8.080 1.00 0.64 C ATOM 1890 C GLY B 40 5.343 -8.199 8.243 1.00 0.60 C ATOM 1891 O GLY B 40 6.008 -9.242 8.425 1.00 0.68 O ATOM 0 H GLY B 40 3.467 -6.460 8.914 1.00 0.56 H new ATOM 0 HA2 GLY B 40 3.486 -8.926 8.875 1.00 0.64 H new ATOM 0 HA3 GLY B 40 3.673 -8.801 7.137 1.00 0.64 H new ATOM 1895 N LEU B 41 5.972 -7.017 8.201 1.00 0.54 N ATOM 1896 CA LEU B 41 7.364 -6.971 8.426 1.00 0.54 C ATOM 1897 C LEU B 41 7.657 -5.997 9.474 1.00 0.50 C ATOM 1898 O LEU B 41 6.737 -5.284 9.929 1.00 0.59 O ATOM 1899 CB LEU B 41 8.153 -6.678 7.145 1.00 0.56 C ATOM 1900 CG LEU B 41 7.535 -5.545 6.322 1.00 0.59 C ATOM 1901 CD1 LEU B 41 6.358 -6.093 5.513 1.00 0.60 C ATOM 1902 CD2 LEU B 41 7.045 -4.423 7.236 1.00 1.25 C ATOM 0 H LEU B 41 5.525 -6.119 8.016 1.00 0.54 H new ATOM 0 HA LEU B 41 7.688 -7.957 8.758 1.00 0.54 H new ATOM 0 HB2 LEU B 41 9.178 -6.416 7.406 1.00 0.56 H new ATOM 0 HB3 LEU B 41 8.200 -7.581 6.536 1.00 0.56 H new ATOM 0 HG LEU B 41 8.294 -5.143 5.651 1.00 0.59 H new ATOM 0 HD11 LEU B 41 5.915 -5.289 4.925 1.00 0.60 H new ATOM 0 HD12 LEU B 41 6.710 -6.879 4.845 1.00 0.60 H new ATOM 0 HD13 LEU B 41 5.609 -6.502 6.191 1.00 0.60 H new ATOM 0 HD21 LEU B 41 6.609 -3.627 6.633 1.00 1.25 H new ATOM 0 HD22 LEU B 41 6.292 -4.814 7.920 1.00 1.25 H new ATOM 0 HD23 LEU B 41 7.884 -4.027 7.808 1.00 1.25 H new ATOM 1914 N ASN B 42 8.896 -5.919 9.982 1.00 0.51 N ATOM 1915 CA ASN B 42 9.192 -5.035 11.044 1.00 0.53 C ATOM 1916 C ASN B 42 9.339 -3.658 10.585 1.00 0.44 C ATOM 1917 O ASN B 42 9.460 -3.397 9.369 1.00 0.38 O ATOM 1918 CB ASN B 42 10.492 -5.462 11.728 1.00 0.66 C ATOM 1919 CG ASN B 42 10.284 -6.719 12.440 1.00 0.81 C ATOM 1920 OD1 ASN B 42 9.128 -7.172 12.585 1.00 1.11 O ATOM 1921 ND2 ASN B 42 11.328 -7.366 12.974 1.00 1.45 N ATOM 0 H ASN B 42 9.688 -6.471 9.653 1.00 0.51 H new ATOM 0 HA ASN B 42 8.356 -5.079 11.742 1.00 0.53 H new ATOM 0 HB2 ASN B 42 11.283 -5.579 10.987 1.00 0.66 H new ATOM 0 HB3 ASN B 42 10.819 -4.689 12.423 1.00 0.66 H new ATOM 0 HD21 ASN B 42 11.180 -8.228 13.499 1.00 1.45 H new ATOM 0 HD22 ASN B 42 12.271 -6.997 12.856 1.00 1.45 H new ATOM 1928 N GLU B 43 9.362 -2.674 11.497 1.00 0.47 N ATOM 1929 CA GLU B 43 9.506 -1.323 11.114 1.00 0.45 C ATOM 1930 C GLU B 43 10.783 -1.127 10.432 1.00 0.40 C ATOM 1931 O GLU B 43 10.904 -0.246 9.554 1.00 0.38 O ATOM 1932 CB GLU B 43 9.505 -0.440 12.365 1.00 0.56 C ATOM 1933 CG GLU B 43 8.277 -0.717 13.233 1.00 0.67 C ATOM 1934 CD GLU B 43 8.431 -2.008 13.897 1.00 0.87 C ATOM 1935 OE1 GLU B 43 9.424 -2.221 14.625 1.00 1.31 O ATOM 1936 OE2 GLU B 43 7.571 -2.900 13.737 1.00 1.77 O ATOM 0 H GLU B 43 9.280 -2.824 12.503 1.00 0.47 H new ATOM 0 HA GLU B 43 8.682 -1.060 10.450 1.00 0.45 H new ATOM 0 HB2 GLU B 43 10.411 -0.622 12.943 1.00 0.56 H new ATOM 0 HB3 GLU B 43 9.518 0.610 12.073 1.00 0.56 H new ATOM 0 HG2 GLU B 43 8.157 0.073 13.974 1.00 0.67 H new ATOM 0 HG3 GLU B 43 7.377 -0.717 12.619 1.00 0.67 H new ATOM 1943 N GLU B 44 11.823 -1.915 10.738 1.00 0.46 N ATOM 1944 CA GLU B 44 13.064 -1.761 10.092 1.00 0.46 C ATOM 1945 C GLU B 44 12.937 -2.077 8.671 1.00 0.40 C ATOM 1946 O GLU B 44 13.657 -1.482 7.842 1.00 0.43 O ATOM 1947 CB GLU B 44 14.051 -2.739 10.734 1.00 0.60 C ATOM 1948 CG GLU B 44 14.296 -2.331 12.188 1.00 1.05 C ATOM 1949 CD GLU B 44 14.822 -0.969 12.236 1.00 1.49 C ATOM 1950 OE1 GLU B 44 15.881 -0.682 11.637 1.00 1.77 O ATOM 1951 OE2 GLU B 44 14.222 -0.094 12.897 1.00 2.32 O ATOM 0 H GLU B 44 11.795 -2.658 11.436 1.00 0.46 H new ATOM 0 HA GLU B 44 13.409 -0.732 10.192 1.00 0.46 H new ATOM 0 HB2 GLU B 44 13.655 -3.754 10.691 1.00 0.60 H new ATOM 0 HB3 GLU B 44 14.991 -2.740 10.182 1.00 0.60 H new ATOM 0 HG2 GLU B 44 13.367 -2.392 12.754 1.00 1.05 H new ATOM 0 HG3 GLU B 44 15.000 -3.020 12.655 1.00 1.05 H new ATOM 1958 N GLN B 45 12.039 -2.979 8.247 1.00 0.40 N ATOM 1959 CA GLN B 45 11.953 -3.307 6.878 1.00 0.41 C ATOM 1960 C GLN B 45 11.219 -2.284 6.141 1.00 0.35 C ATOM 1961 O GLN B 45 11.212 -2.311 4.891 1.00 0.41 O ATOM 1962 CB GLN B 45 11.246 -4.651 6.731 1.00 0.51 C ATOM 1963 CG GLN B 45 12.042 -5.706 7.498 1.00 0.60 C ATOM 1964 CD GLN B 45 13.408 -5.752 6.986 1.00 0.75 C ATOM 1965 OE1 GLN B 45 14.368 -5.492 7.744 1.00 0.90 O ATOM 1966 NE2 GLN B 45 13.636 -6.063 5.703 1.00 0.97 N ATOM 0 H GLN B 45 11.382 -3.472 8.852 1.00 0.40 H new ATOM 0 HA GLN B 45 12.961 -3.366 6.467 1.00 0.41 H new ATOM 0 HB2 GLN B 45 10.229 -4.588 7.119 1.00 0.51 H new ATOM 0 HB3 GLN B 45 11.170 -4.925 5.679 1.00 0.51 H new ATOM 0 HG2 GLN B 45 12.049 -5.469 8.562 1.00 0.60 H new ATOM 0 HG3 GLN B 45 11.569 -6.682 7.392 1.00 0.60 H new ATOM 0 HE21 GLN B 45 12.854 -6.275 5.083 1.00 0.97 H new ATOM 0 HE22 GLN B 45 14.591 -6.087 5.346 1.00 0.97 H new ATOM 1975 N ILE B 46 10.566 -1.316 6.800 1.00 0.29 N ATOM 1976 CA ILE B 46 9.956 -0.268 6.088 1.00 0.30 C ATOM 1977 C ILE B 46 11.047 0.574 5.618 1.00 0.39 C ATOM 1978 O ILE B 46 11.067 0.981 4.438 1.00 0.52 O ATOM 1979 CB ILE B 46 9.052 0.547 7.017 1.00 0.35 C ATOM 1980 CG1 ILE B 46 7.914 -0.333 7.540 1.00 0.36 C ATOM 1981 CG2 ILE B 46 8.468 1.735 6.250 1.00 0.45 C ATOM 1982 CD1 ILE B 46 7.064 -0.816 6.363 1.00 0.38 C ATOM 0 H ILE B 46 10.466 -1.267 7.814 1.00 0.29 H new ATOM 0 HA ILE B 46 9.343 -0.646 5.270 1.00 0.30 H new ATOM 0 HB ILE B 46 9.640 0.911 7.860 1.00 0.35 H new ATOM 0 HG12 ILE B 46 8.320 -1.186 8.084 1.00 0.36 H new ATOM 0 HG13 ILE B 46 7.298 0.229 8.242 1.00 0.36 H new ATOM 0 HG21 ILE B 46 7.825 2.315 6.912 1.00 0.45 H new ATOM 0 HG22 ILE B 46 9.278 2.367 5.886 1.00 0.45 H new ATOM 0 HG23 ILE B 46 7.885 1.371 5.404 1.00 0.45 H new ATOM 0 HD11 ILE B 46 6.253 -1.443 6.733 1.00 0.38 H new ATOM 0 HD12 ILE B 46 6.648 0.044 5.838 1.00 0.38 H new ATOM 0 HD13 ILE B 46 7.685 -1.393 5.678 1.00 0.38 H new ATOM 1994 N GLU B 47 12.046 0.869 6.463 1.00 0.38 N ATOM 1995 CA GLU B 47 13.121 1.684 6.051 1.00 0.47 C ATOM 1996 C GLU B 47 13.910 1.057 4.987 1.00 0.51 C ATOM 1997 O GLU B 47 14.570 1.794 4.222 1.00 0.62 O ATOM 1998 CB GLU B 47 14.032 1.945 7.252 1.00 0.50 C ATOM 1999 CG GLU B 47 13.269 2.742 8.312 1.00 0.51 C ATOM 2000 CD GLU B 47 14.140 2.988 9.456 1.00 0.55 C ATOM 2001 OE1 GLU B 47 15.213 3.611 9.301 1.00 1.19 O ATOM 2002 OE2 GLU B 47 13.817 2.573 10.590 1.00 1.11 O ATOM 0 H GLU B 47 12.102 0.540 7.427 1.00 0.38 H new ATOM 0 HA GLU B 47 12.707 2.614 5.660 1.00 0.47 H new ATOM 0 HB2 GLU B 47 14.377 1.000 7.672 1.00 0.50 H new ATOM 0 HB3 GLU B 47 14.918 2.496 6.936 1.00 0.50 H new ATOM 0 HG2 GLU B 47 12.925 3.688 7.893 1.00 0.51 H new ATOM 0 HG3 GLU B 47 12.383 2.192 8.628 1.00 0.51 H new ATOM 2009 N ARG B 48 13.951 -0.275 4.819 1.00 0.48 N ATOM 2010 CA ARG B 48 14.749 -0.828 3.791 1.00 0.55 C ATOM 2011 C ARG B 48 14.103 -0.713 2.486 1.00 0.60 C ATOM 2012 O ARG B 48 14.765 -0.250 1.532 1.00 0.68 O ATOM 2013 CB ARG B 48 15.032 -2.308 4.068 1.00 0.56 C ATOM 2014 CG ARG B 48 16.341 -2.434 4.853 1.00 0.62 C ATOM 2015 CD ARG B 48 16.171 -1.837 6.248 1.00 0.60 C ATOM 2016 NE ARG B 48 17.381 -1.941 6.961 1.00 0.71 N ATOM 2017 CZ ARG B 48 17.438 -1.534 8.236 1.00 0.80 C ATOM 2018 NH1 ARG B 48 16.343 -1.038 8.829 1.00 0.79 N ATOM 2019 NH2 ARG B 48 18.587 -1.627 8.919 1.00 0.94 N ATOM 0 H ARG B 48 13.440 -0.951 5.386 1.00 0.48 H new ATOM 0 HA ARG B 48 15.682 -0.265 3.775 1.00 0.55 H new ATOM 0 HB2 ARG B 48 14.211 -2.747 4.635 1.00 0.56 H new ATOM 0 HB3 ARG B 48 15.103 -2.859 3.130 1.00 0.56 H new ATOM 0 HG2 ARG B 48 16.630 -3.482 4.929 1.00 0.62 H new ATOM 0 HG3 ARG B 48 17.143 -1.920 4.324 1.00 0.62 H new ATOM 0 HD2 ARG B 48 15.871 -0.792 6.172 1.00 0.60 H new ATOM 0 HD3 ARG B 48 15.377 -2.358 6.783 1.00 0.60 H new ATOM 0 HE ARG B 48 18.211 -2.325 6.508 1.00 0.71 H new ATOM 0 HH11 ARG B 48 15.468 -0.971 8.309 1.00 0.79 H new ATOM 0 HH12 ARG B 48 16.385 -0.728 9.800 1.00 0.79 H new ATOM 0 HH21 ARG B 48 19.419 -2.008 8.468 1.00 0.94 H new ATOM 0 HH22 ARG B 48 18.630 -1.317 9.890 1.00 0.94 H new ATOM 2033 N TRP B 49 12.828 -1.065 2.269 1.00 0.56 N ATOM 2034 CA TRP B 49 12.321 -0.887 0.963 1.00 0.64 C ATOM 2035 C TRP B 49 12.137 0.542 0.706 1.00 0.69 C ATOM 2036 O TRP B 49 12.177 0.971 -0.467 1.00 0.81 O ATOM 2037 CB TRP B 49 11.021 -1.659 0.730 1.00 0.75 C ATOM 2038 CG TRP B 49 10.769 -1.675 -0.708 1.00 1.06 C ATOM 2039 CD1 TRP B 49 9.677 -1.145 -1.390 1.00 0.90 C ATOM 2040 CD2 TRP B 49 11.612 -2.191 -1.679 1.00 1.95 C ATOM 2041 NE1 TRP B 49 9.854 -1.336 -2.710 1.00 1.29 N ATOM 2042 CE2 TRP B 49 11.026 -1.957 -2.904 1.00 1.98 C ATOM 2043 CE3 TRP B 49 12.838 -2.828 -1.564 1.00 2.83 C ATOM 2044 CZ2 TRP B 49 11.648 -2.339 -4.083 1.00 2.80 C ATOM 2045 CZ3 TRP B 49 13.469 -3.223 -2.741 1.00 3.66 C ATOM 2046 CH2 TRP B 49 12.883 -2.978 -3.985 1.00 3.63 C ATOM 0 H TRP B 49 12.184 -1.451 2.959 1.00 0.56 H new ATOM 0 HA TRP B 49 13.047 -1.294 0.260 1.00 0.64 H new ATOM 0 HB2 TRP B 49 11.105 -2.675 1.115 1.00 0.75 H new ATOM 0 HB3 TRP B 49 10.194 -1.185 1.258 1.00 0.75 H new ATOM 0 HD1 TRP B 49 8.827 -0.660 -0.934 1.00 0.90 H new ATOM 0 HE1 TRP B 49 9.203 -1.054 -3.443 1.00 1.29 H new ATOM 0 HE3 TRP B 49 13.287 -3.011 -0.599 1.00 2.83 H new ATOM 0 HZ2 TRP B 49 11.192 -2.148 -5.043 1.00 2.80 H new ATOM 0 HZ3 TRP B 49 14.424 -3.725 -2.691 1.00 3.66 H new ATOM 0 HH2 TRP B 49 13.394 -3.288 -4.884 1.00 3.63 H new ATOM 2057 N PHE B 50 11.913 1.375 1.733 1.00 0.65 N ATOM 2058 CA PHE B 50 11.749 2.767 1.559 1.00 0.72 C ATOM 2059 C PHE B 50 12.915 3.372 0.923 1.00 0.78 C ATOM 2060 O PHE B 50 12.762 4.161 -0.034 1.00 0.89 O ATOM 2061 CB PHE B 50 11.610 3.422 2.932 1.00 0.72 C ATOM 2062 CG PHE B 50 11.506 4.868 2.774 1.00 0.86 C ATOM 2063 CD1 PHE B 50 10.300 5.439 2.390 1.00 1.33 C ATOM 2064 CD2 PHE B 50 12.611 5.673 3.026 1.00 1.66 C ATOM 2065 CE1 PHE B 50 10.198 6.820 2.272 1.00 1.54 C ATOM 2066 CE2 PHE B 50 12.512 7.052 2.891 1.00 2.06 C ATOM 2067 CZ PHE B 50 11.303 7.626 2.517 1.00 1.68 C ATOM 0 H PHE B 50 11.846 1.067 2.703 1.00 0.65 H new ATOM 0 HA PHE B 50 10.869 2.919 0.933 1.00 0.72 H new ATOM 0 HB2 PHE B 50 10.727 3.037 3.442 1.00 0.72 H new ATOM 0 HB3 PHE B 50 12.471 3.175 3.553 1.00 0.72 H new ATOM 0 HD1 PHE B 50 9.445 4.813 2.184 1.00 1.33 H new ATOM 0 HD2 PHE B 50 13.547 5.226 3.327 1.00 1.66 H new ATOM 0 HE1 PHE B 50 9.257 7.268 1.989 1.00 1.54 H new ATOM 0 HE2 PHE B 50 13.373 7.677 3.076 1.00 2.06 H new ATOM 0 HZ PHE B 50 11.222 8.698 2.417 1.00 1.68 H new ATOM 2077 N ARG B 51 14.148 3.135 1.390 1.00 0.75 N ATOM 2078 CA ARG B 51 15.245 3.765 0.769 1.00 0.82 C ATOM 2079 C ARG B 51 15.560 3.078 -0.484 1.00 0.87 C ATOM 2080 O ARG B 51 15.911 3.753 -1.476 1.00 0.99 O ATOM 2081 CB ARG B 51 16.427 3.859 1.739 1.00 0.80 C ATOM 2082 CG ARG B 51 16.982 2.486 2.120 1.00 0.78 C ATOM 2083 CD ARG B 51 18.149 2.144 1.192 1.00 1.15 C ATOM 2084 NE ARG B 51 18.713 0.913 1.585 1.00 1.48 N ATOM 2085 CZ ARG B 51 20.028 0.828 1.826 1.00 1.92 C ATOM 2086 NH1 ARG B 51 20.804 1.913 1.702 1.00 2.22 N ATOM 2087 NH2 ARG B 51 20.566 -0.343 2.192 1.00 2.46 N ATOM 0 H ARG B 51 14.375 2.524 2.175 1.00 0.75 H new ATOM 0 HA ARG B 51 14.994 4.793 0.507 1.00 0.82 H new ATOM 0 HB2 ARG B 51 17.219 4.454 1.285 1.00 0.80 H new ATOM 0 HB3 ARG B 51 16.112 4.383 2.641 1.00 0.80 H new ATOM 0 HG2 ARG B 51 17.315 2.490 3.158 1.00 0.78 H new ATOM 0 HG3 ARG B 51 16.202 1.729 2.038 1.00 0.78 H new ATOM 0 HD2 ARG B 51 17.803 2.085 0.160 1.00 1.15 H new ATOM 0 HD3 ARG B 51 18.902 2.931 1.231 1.00 1.15 H new ATOM 0 HE ARG B 51 18.121 0.089 1.686 1.00 1.48 H new ATOM 0 HH11 ARG B 51 20.394 2.804 1.424 1.00 2.22 H new ATOM 0 HH12 ARG B 51 21.805 1.848 1.886 1.00 2.22 H new ATOM 0 HH21 ARG B 51 19.974 -1.169 2.287 1.00 2.46 H new ATOM 0 HH22 ARG B 51 21.567 -0.409 2.376 1.00 2.46 H new ATOM 2101 N ARG B 52 15.429 1.745 -0.603 1.00 0.84 N ATOM 2102 CA ARG B 52 15.676 1.113 -1.845 1.00 0.98 C ATOM 2103 C ARG B 52 14.698 1.531 -2.854 1.00 1.11 C ATOM 2104 O ARG B 52 14.901 1.233 -4.050 1.00 1.27 O ATOM 2105 CB ARG B 52 15.553 -0.403 -1.676 1.00 1.02 C ATOM 2106 CG ARG B 52 16.627 -0.943 -0.729 1.00 1.23 C ATOM 2107 CD ARG B 52 17.948 -1.155 -1.473 1.00 1.31 C ATOM 2108 NE ARG B 52 18.587 0.074 -1.736 1.00 1.79 N ATOM 2109 CZ ARG B 52 19.634 0.107 -2.572 1.00 2.25 C ATOM 2110 NH1 ARG B 52 20.048 -1.018 -3.171 1.00 2.15 N ATOM 2111 NH2 ARG B 52 20.275 1.261 -2.804 1.00 3.07 N ATOM 0 H ARG B 52 15.155 1.119 0.154 1.00 0.84 H new ATOM 0 HA ARG B 52 16.677 1.394 -2.171 1.00 0.98 H new ATOM 0 HB2 ARG B 52 14.565 -0.649 -1.288 1.00 1.02 H new ATOM 0 HB3 ARG B 52 15.644 -0.888 -2.648 1.00 1.02 H new ATOM 0 HG2 ARG B 52 16.776 -0.245 0.095 1.00 1.23 H new ATOM 0 HG3 ARG B 52 16.294 -1.885 -0.293 1.00 1.23 H new ATOM 0 HD2 ARG B 52 18.605 -1.790 -0.879 1.00 1.31 H new ATOM 0 HD3 ARG B 52 17.761 -1.679 -2.410 1.00 1.31 H new ATOM 0 HE ARG B 52 18.255 0.931 -1.294 1.00 1.79 H new ATOM 0 HH11 ARG B 52 19.566 -1.899 -2.991 1.00 2.15 H new ATOM 0 HH12 ARG B 52 20.845 -0.993 -3.807 1.00 2.15 H new ATOM 0 HH21 ARG B 52 19.966 2.117 -2.344 1.00 3.07 H new ATOM 0 HH22 ARG B 52 21.072 1.283 -3.441 1.00 3.07 H new ATOM 2125 N LYS B 53 13.598 2.213 -2.496 1.00 1.08 N ATOM 2126 CA LYS B 53 12.648 2.689 -3.426 1.00 1.25 C ATOM 2127 C LYS B 53 13.267 3.542 -4.434 1.00 1.35 C ATOM 2128 O LYS B 53 13.115 3.305 -5.652 1.00 1.57 O ATOM 2129 CB LYS B 53 11.617 3.541 -2.682 1.00 1.20 C ATOM 2130 CG LYS B 53 10.510 3.968 -3.645 1.00 1.31 C ATOM 2131 CD LYS B 53 9.776 2.717 -4.120 1.00 1.89 C ATOM 2132 CE LYS B 53 9.213 1.985 -2.903 1.00 2.23 C ATOM 2133 NZ LYS B 53 8.174 2.805 -2.286 1.00 2.62 N ATOM 0 H LYS B 53 13.370 2.436 -1.527 1.00 1.08 H new ATOM 0 HA LYS B 53 12.194 1.826 -3.913 1.00 1.25 H new ATOM 0 HB2 LYS B 53 11.193 2.974 -1.853 1.00 1.20 H new ATOM 0 HB3 LYS B 53 12.099 4.420 -2.254 1.00 1.20 H new ATOM 0 HG2 LYS B 53 9.818 4.649 -3.149 1.00 1.31 H new ATOM 0 HG3 LYS B 53 10.932 4.505 -4.494 1.00 1.31 H new ATOM 0 HD2 LYS B 53 8.971 2.988 -4.803 1.00 1.89 H new ATOM 0 HD3 LYS B 53 10.456 2.067 -4.671 1.00 1.89 H new ATOM 0 HE2 LYS B 53 8.802 1.021 -3.202 1.00 2.23 H new ATOM 0 HE3 LYS B 53 10.008 1.784 -2.185 1.00 2.23 H new ATOM 0 HZ1 LYS B 53 7.741 2.282 -1.498 1.00 2.62 H new ATOM 0 HZ2 LYS B 53 8.594 3.686 -1.927 1.00 2.62 H new ATOM 0 HZ3 LYS B 53 7.445 3.032 -2.993 1.00 2.62 H new ATOM 2147 N GLU B 54 13.945 4.626 -4.035 1.00 1.24 N ATOM 2148 CA GLU B 54 14.467 5.521 -4.987 1.00 1.34 C ATOM 2149 C GLU B 54 15.909 5.365 -5.137 1.00 1.32 C ATOM 2150 O GLU B 54 16.478 5.917 -6.102 1.00 1.39 O ATOM 2151 CB GLU B 54 14.151 6.944 -4.523 1.00 1.34 C ATOM 2152 CG GLU B 54 14.767 7.172 -3.141 1.00 1.18 C ATOM 2153 CD GLU B 54 14.430 8.512 -2.670 1.00 1.29 C ATOM 2154 OE1 GLU B 54 13.233 8.843 -2.530 1.00 1.87 O ATOM 2155 OE2 GLU B 54 15.338 9.329 -2.406 1.00 1.61 O ATOM 0 H GLU B 54 14.126 4.873 -3.062 1.00 1.24 H new ATOM 0 HA GLU B 54 14.013 5.314 -5.956 1.00 1.34 H new ATOM 0 HB2 GLU B 54 14.548 7.668 -5.235 1.00 1.34 H new ATOM 0 HB3 GLU B 54 13.072 7.095 -4.483 1.00 1.34 H new ATOM 0 HG2 GLU B 54 14.397 6.425 -2.439 1.00 1.18 H new ATOM 0 HG3 GLU B 54 15.850 7.054 -3.190 1.00 1.18 H new ATOM 2162 N GLN B 55 16.622 4.628 -4.275 1.00 1.24 N ATOM 2163 CA GLN B 55 18.016 4.517 -4.455 1.00 1.27 C ATOM 2164 C GLN B 55 18.320 3.447 -5.400 1.00 1.34 C ATOM 2165 O GLN B 55 19.501 3.275 -5.771 1.00 1.42 O ATOM 2166 CB GLN B 55 18.688 4.235 -3.110 1.00 1.22 C ATOM 2167 CG GLN B 55 18.470 5.421 -2.168 1.00 1.35 C ATOM 2168 CD GLN B 55 19.246 6.565 -2.636 1.00 2.14 C ATOM 2169 OE1 GLN B 55 19.051 7.031 -3.780 1.00 2.60 O ATOM 2170 NE2 GLN B 55 20.175 7.113 -1.841 1.00 2.89 N ATOM 0 H GLN B 55 16.239 4.124 -3.475 1.00 1.24 H new ATOM 0 HA GLN B 55 18.398 5.455 -4.857 1.00 1.27 H new ATOM 0 HB2 GLN B 55 18.276 3.327 -2.669 1.00 1.22 H new ATOM 0 HB3 GLN B 55 19.755 4.063 -3.254 1.00 1.22 H new ATOM 0 HG2 GLN B 55 17.411 5.678 -2.129 1.00 1.35 H new ATOM 0 HG3 GLN B 55 18.771 5.154 -1.155 1.00 1.35 H new ATOM 0 HE21 GLN B 55 20.335 6.734 -0.908 1.00 2.89 H new ATOM 0 HE22 GLN B 55 20.722 7.909 -2.169 1.00 2.89 H new ATOM 2179 N GLN B 56 17.347 2.643 -5.853 1.00 1.34 N ATOM 2180 CA GLN B 56 17.632 1.627 -6.788 1.00 1.42 C ATOM 2181 C GLN B 56 17.968 2.185 -8.097 1.00 1.55 C ATOM 2182 O GLN B 56 18.960 1.743 -8.718 1.00 1.60 O ATOM 2183 CB GLN B 56 16.393 0.743 -6.943 1.00 1.47 C ATOM 2184 CG GLN B 56 16.697 -0.398 -7.916 1.00 1.65 C ATOM 2185 CD GLN B 56 17.762 -1.236 -7.375 1.00 1.83 C ATOM 2186 OE1 GLN B 56 17.626 -1.776 -6.256 1.00 2.40 O ATOM 2187 NE2 GLN B 56 18.891 -1.421 -8.074 1.00 2.08 N ATOM 0 H GLN B 56 16.369 2.703 -5.568 1.00 1.34 H new ATOM 0 HA GLN B 56 18.485 1.055 -6.424 1.00 1.42 H new ATOM 0 HB2 GLN B 56 16.098 0.340 -5.974 1.00 1.47 H new ATOM 0 HB3 GLN B 56 15.555 1.335 -7.311 1.00 1.47 H new ATOM 0 HG2 GLN B 56 15.800 -0.995 -8.083 1.00 1.65 H new ATOM 0 HG3 GLN B 56 16.995 0.006 -8.883 1.00 1.65 H new ATOM 0 HE21 GLN B 56 19.003 -0.981 -8.987 1.00 2.08 H new ATOM 0 HE22 GLN B 56 19.638 -2.002 -7.693 1.00 2.08 H new ATOM 2196 N ILE B 57 17.215 3.148 -8.650 1.00 1.64 N ATOM 2197 CA ILE B 57 17.520 3.601 -9.953 1.00 1.81 C ATOM 2198 C ILE B 57 17.742 5.043 -10.021 1.00 1.89 C ATOM 2199 O ILE B 57 18.096 5.539 -11.113 1.00 2.07 O ATOM 2200 CB ILE B 57 16.325 3.311 -10.859 1.00 1.88 C ATOM 2201 CG1 ILE B 57 15.154 4.187 -10.409 1.00 2.08 C ATOM 2202 CG2 ILE B 57 15.933 1.834 -10.786 1.00 1.87 C ATOM 2203 CD1 ILE B 57 14.589 3.689 -9.076 1.00 2.66 C ATOM 0 H ILE B 57 16.416 3.599 -8.203 1.00 1.64 H new ATOM 0 HA ILE B 57 18.432 3.087 -10.257 1.00 1.81 H new ATOM 0 HB ILE B 57 16.589 3.535 -11.892 1.00 1.88 H new ATOM 0 HG12 ILE B 57 15.485 5.221 -10.307 1.00 2.08 H new ATOM 0 HG13 ILE B 57 14.372 4.176 -11.168 1.00 2.08 H new ATOM 0 HG21 ILE B 57 15.080 1.651 -11.439 1.00 1.87 H new ATOM 0 HG22 ILE B 57 16.774 1.218 -11.106 1.00 1.87 H new ATOM 0 HG23 ILE B 57 15.666 1.579 -9.761 1.00 1.87 H new ATOM 0 HD11 ILE B 57 13.757 4.325 -8.773 1.00 2.66 H new ATOM 0 HD12 ILE B 57 14.239 2.663 -9.190 1.00 2.66 H new ATOM 0 HD13 ILE B 57 15.368 3.724 -8.315 1.00 2.66 H new ATOM 2215 N GLY B 58 17.555 5.853 -8.969 1.00 1.79 N ATOM 2216 CA GLY B 58 17.748 7.239 -9.145 1.00 1.90 C ATOM 2217 C GLY B 58 16.483 7.957 -8.989 1.00 1.88 C ATOM 2218 O GLY B 58 16.303 9.020 -9.622 1.00 1.99 O ATOM 0 H GLY B 58 17.280 5.556 -8.033 1.00 1.79 H new ATOM 0 HA2 GLY B 58 18.473 7.606 -8.419 1.00 1.90 H new ATOM 0 HA3 GLY B 58 18.162 7.432 -10.135 1.00 1.90 H new ATOM 2222 N TRP B 59 15.531 7.460 -8.184 1.00 1.76 N ATOM 2223 CA TRP B 59 14.326 8.151 -7.903 1.00 1.74 C ATOM 2224 C TRP B 59 13.371 8.228 -9.010 1.00 1.83 C ATOM 2225 O TRP B 59 12.409 9.019 -8.905 1.00 1.90 O ATOM 2226 CB TRP B 59 14.641 9.553 -7.373 1.00 1.80 C ATOM 2227 CG TRP B 59 13.402 10.249 -7.040 1.00 2.05 C ATOM 2228 CD1 TRP B 59 12.568 10.009 -5.951 1.00 2.09 C ATOM 2229 CD2 TRP B 59 12.854 11.329 -7.713 1.00 2.50 C ATOM 2230 NE1 TRP B 59 11.553 10.893 -5.978 1.00 2.57 N ATOM 2231 CE2 TRP B 59 11.712 11.701 -7.037 1.00 2.86 C ATOM 2232 CE3 TRP B 59 13.283 11.995 -8.851 1.00 2.73 C ATOM 2233 CZ2 TRP B 59 10.936 12.765 -7.470 1.00 3.48 C ATOM 2234 CZ3 TRP B 59 12.511 13.067 -9.294 1.00 3.32 C ATOM 2235 CH2 TRP B 59 11.353 13.448 -8.611 1.00 3.70 C ATOM 0 H TRP B 59 15.606 6.555 -7.719 1.00 1.76 H new ATOM 0 HA TRP B 59 13.823 7.552 -7.144 1.00 1.74 H new ATOM 0 HB2 TRP B 59 15.277 9.483 -6.491 1.00 1.80 H new ATOM 0 HB3 TRP B 59 15.196 10.118 -8.122 1.00 1.80 H new ATOM 0 HD1 TRP B 59 12.712 9.240 -5.207 1.00 2.09 H new ATOM 0 HE1 TRP B 59 10.789 10.941 -5.304 1.00 2.57 H new ATOM 0 HE3 TRP B 59 14.180 11.695 -9.373 1.00 2.73 H new ATOM 0 HZ2 TRP B 59 10.040 13.055 -6.942 1.00 3.48 H new ATOM 0 HZ3 TRP B 59 12.812 13.611 -10.177 1.00 3.32 H new ATOM 0 HH2 TRP B 59 10.773 14.284 -8.973 1.00 3.70 H new ATOM 2246 N SER B 60 13.450 7.469 -10.114 1.00 1.88 N ATOM 2247 CA SER B 60 12.443 7.611 -11.096 1.00 1.98 C ATOM 2248 C SER B 60 11.287 6.763 -10.787 1.00 1.92 C ATOM 2249 O SER B 60 10.232 6.903 -11.441 1.00 1.97 O ATOM 2250 CB SER B 60 12.996 7.310 -12.492 1.00 2.09 C ATOM 2251 OG SER B 60 13.393 5.952 -12.586 1.00 2.16 O ATOM 0 H SER B 60 14.180 6.787 -10.317 1.00 1.88 H new ATOM 0 HA SER B 60 12.105 8.647 -11.089 1.00 1.98 H new ATOM 0 HB2 SER B 60 12.238 7.526 -13.245 1.00 2.09 H new ATOM 0 HB3 SER B 60 13.846 7.959 -12.701 1.00 2.09 H new ATOM 0 HG SER B 60 13.742 5.775 -13.484 1.00 2.16 H new ATOM 2257 N HIS B 61 11.367 5.843 -9.811 1.00 1.87 N ATOM 2258 CA HIS B 61 10.266 5.055 -9.394 1.00 1.91 C ATOM 2259 C HIS B 61 9.727 4.115 -10.385 1.00 1.97 C ATOM 2260 O HIS B 61 8.486 4.043 -10.513 1.00 2.60 O ATOM 2261 CB HIS B 61 9.143 5.982 -8.911 1.00 2.75 C ATOM 2262 CG HIS B 61 8.110 5.204 -8.235 1.00 3.15 C ATOM 2263 ND1 HIS B 61 7.190 4.432 -8.828 1.00 4.13 N ATOM 2264 CD2 HIS B 61 7.883 5.136 -6.867 1.00 3.11 C ATOM 2265 CE1 HIS B 61 6.422 3.883 -7.876 1.00 4.69 C ATOM 2266 NE2 HIS B 61 6.849 4.305 -6.676 1.00 4.06 N ATOM 0 H HIS B 61 12.228 5.646 -9.300 1.00 1.87 H new ATOM 0 HA HIS B 61 10.658 4.422 -8.598 1.00 1.91 H new ATOM 0 HB2 HIS B 61 9.547 6.733 -8.232 1.00 2.75 H new ATOM 0 HB3 HIS B 61 8.712 6.516 -9.758 1.00 2.75 H new ATOM 0 HD1 HIS B 61 7.091 4.287 -9.833 1.00 4.13 H new ATOM 0 HD2 HIS B 61 8.437 5.656 -6.099 1.00 3.11 H new ATOM 0 HE1 HIS B 61 5.594 3.211 -8.047 1.00 4.69 H new ATOM 0 HE2 HIS B 61 6.455 4.039 -5.774 1.00 4.06 H new ATOM 2275 N PRO B 62 10.485 3.311 -11.151 1.00 1.93 N ATOM 2276 CA PRO B 62 9.911 2.379 -12.041 1.00 2.45 C ATOM 2277 C PRO B 62 9.860 1.072 -11.452 1.00 2.06 C ATOM 2278 O PRO B 62 9.439 0.136 -12.111 1.00 2.31 O ATOM 2279 CB PRO B 62 10.953 2.322 -13.151 1.00 3.15 C ATOM 2280 CG PRO B 62 12.249 2.397 -12.344 1.00 2.98 C ATOM 2281 CD PRO B 62 11.909 3.332 -11.179 1.00 2.10 C ATOM 0 HA PRO B 62 8.900 2.655 -12.341 1.00 2.45 H new ATOM 0 HB2 PRO B 62 10.884 1.404 -13.734 1.00 3.15 H new ATOM 0 HB3 PRO B 62 10.855 3.152 -13.851 1.00 3.15 H new ATOM 0 HG2 PRO B 62 12.555 1.413 -11.989 1.00 2.98 H new ATOM 0 HG3 PRO B 62 13.070 2.789 -12.944 1.00 2.98 H new ATOM 0 HD2 PRO B 62 12.336 2.978 -10.241 1.00 2.10 H new ATOM 0 HD3 PRO B 62 12.294 4.338 -11.345 1.00 2.10 H new ATOM 2289 N GLN B 63 10.277 0.853 -10.227 1.00 1.69 N ATOM 2290 CA GLN B 63 10.335 -0.471 -9.736 1.00 1.51 C ATOM 2291 C GLN B 63 9.018 -0.981 -9.371 1.00 1.56 C ATOM 2292 O GLN B 63 8.917 -2.172 -9.005 1.00 1.92 O ATOM 2293 CB GLN B 63 11.286 -0.582 -8.541 1.00 1.70 C ATOM 2294 CG GLN B 63 10.680 0.106 -7.320 1.00 2.04 C ATOM 2295 CD GLN B 63 10.663 1.544 -7.548 1.00 2.56 C ATOM 2296 OE1 GLN B 63 11.690 2.126 -7.955 1.00 3.20 O ATOM 2297 NE2 GLN B 63 9.528 2.225 -7.359 1.00 2.72 N ATOM 0 H GLN B 63 10.574 1.576 -9.572 1.00 1.69 H new ATOM 0 HA GLN B 63 10.720 -1.085 -10.551 1.00 1.51 H new ATOM 0 HB2 GLN B 63 11.480 -1.631 -8.318 1.00 1.70 H new ATOM 0 HB3 GLN B 63 12.245 -0.126 -8.786 1.00 1.70 H new ATOM 0 HG2 GLN B 63 9.668 -0.260 -7.145 1.00 2.04 H new ATOM 0 HG3 GLN B 63 11.262 -0.127 -6.428 1.00 2.04 H new ATOM 0 HE21 GLN B 63 8.693 1.743 -7.026 1.00 2.72 H new ATOM 0 HE22 GLN B 63 9.497 3.227 -7.548 1.00 2.72 H new ATOM 2306 N PHE B 64 7.926 -0.203 -9.431 1.00 1.50 N ATOM 2307 CA PHE B 64 6.653 -0.754 -9.178 1.00 1.63 C ATOM 2308 C PHE B 64 6.399 -1.761 -10.204 1.00 1.91 C ATOM 2309 O PHE B 64 5.825 -2.828 -9.901 1.00 2.60 O ATOM 2310 CB PHE B 64 5.570 0.320 -9.283 1.00 1.89 C ATOM 2311 CG PHE B 64 4.273 -0.271 -8.955 1.00 3.00 C ATOM 2312 CD1 PHE B 64 3.974 -0.588 -7.636 1.00 3.73 C ATOM 2313 CD2 PHE B 64 3.334 -0.511 -9.952 1.00 3.61 C ATOM 2314 CE1 PHE B 64 2.739 -1.139 -7.314 1.00 4.94 C ATOM 2315 CE2 PHE B 64 2.104 -1.074 -9.633 1.00 4.84 C ATOM 2316 CZ PHE B 64 1.805 -1.387 -8.313 1.00 5.47 C ATOM 0 H PHE B 64 7.932 0.793 -9.652 1.00 1.50 H new ATOM 0 HA PHE B 64 6.631 -1.180 -8.175 1.00 1.63 H new ATOM 0 HB2 PHE B 64 5.790 1.143 -8.603 1.00 1.89 H new ATOM 0 HB3 PHE B 64 5.549 0.735 -10.291 1.00 1.89 H new ATOM 0 HD1 PHE B 64 4.702 -0.406 -6.859 1.00 3.73 H new ATOM 0 HD2 PHE B 64 3.561 -0.259 -10.977 1.00 3.61 H new ATOM 0 HE1 PHE B 64 2.505 -1.375 -6.286 1.00 4.94 H new ATOM 0 HE2 PHE B 64 1.381 -1.268 -10.411 1.00 4.84 H new ATOM 0 HZ PHE B 64 0.849 -1.822 -8.063 1.00 5.47 H new