USER MOD reduce.3.24.130724 H: found=0, std=0, add=1277, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1277 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 THR OG1 : rot -73:sc= 1.23 USER MOD Set 1.2: A 38 HIS :FLIP no HE2:sc= 0.315 F(o=-0.36,f=1.5) USER MOD Set 2.1: A 10 SER OG : rot -157:sc= 0.508 USER MOD Set 2.2: A 141 SER OG : rot -84:sc= 1.31 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0506) USER MOD Single : A 4 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0822) USER MOD Single : A 8 GLN : amide:sc= 0.45 X(o=0.45,f=-0.032) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 170:sc= -0.0106 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -24:sc= 0.938 USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0183) USER MOD Single : A 45 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.36) USER MOD Single : A 46 LYS NZ :NH3+ 154:sc= 1.15 (180deg=0.85) USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= -0.0066 (180deg=-0.133) USER MOD Single : A 50 SER OG : rot 26:sc= 0.308 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.561 F(o=-3,f=-0.56) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 67 SER OG : rot -135:sc= 2.01 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0489 USER MOD Single : A 91 HIS : no HE2:sc= 0.773 K(o=0.77,f=-2.4!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.145 K(o=-0.15,f=-0.73) USER MOD Single : A 117 LYS NZ :NH3+ -167:sc= -0.584 (180deg=-1.41) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl -175:sc= -2.04! (180deg=-2.27!) USER MOD Single : A 129 GLN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 130 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.09) USER MOD Single : A 134 GLN : amide:sc= -0.0327 X(o=-0.033,f=-0.38) USER MOD Single : A 135 GLN : amide:sc= -0.122 K(o=-0.12,f=-2.7!) USER MOD Single : A 139 GLN : amide:sc= -0.0822 K(o=-0.082,f=-0.59) USER MOD Single : A 144 THR OG1 : rot -23:sc= 0.845 USER MOD Single : A 145 SER OG : rot -27:sc= 0.852 USER MOD Single : A 150 HIS : no HD1:sc=-0.00132 X(o=-0.0013,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -0.72 K(o=-0.72,f=-1.7) USER MOD Single : A 152 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 153 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 154 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 155 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.805 38.078 3.326 1.00 11.52 N ATOM 2 CA MET A 1 -12.708 36.598 3.507 1.00 32.02 C ATOM 3 C MET A 1 -11.317 36.065 3.117 1.00 61.13 C ATOM 4 O MET A 1 -10.809 35.128 3.737 1.00 2.43 O ATOM 5 CB MET A 1 -13.787 35.892 2.670 1.00 54.13 C ATOM 6 CG MET A 1 -13.730 34.370 2.735 1.00 32.24 C ATOM 7 SD MET A 1 -14.974 33.587 1.691 1.00 40.32 S ATOM 8 CE MET A 1 -14.635 31.853 1.989 1.00 63.15 C ATOM 0 H1 MET A 1 -13.711 38.416 3.709 1.00 11.52 H new ATOM 0 H2 MET A 1 -12.022 38.541 3.830 1.00 11.52 H new ATOM 0 H3 MET A 1 -12.750 38.308 2.313 1.00 11.52 H new ATOM 0 HA MET A 1 -12.865 36.385 4.564 1.00 32.02 H new ATOM 0 HB2 MET A 1 -14.769 36.223 3.009 1.00 54.13 H new ATOM 0 HB3 MET A 1 -13.687 36.204 1.630 1.00 54.13 H new ATOM 0 HG2 MET A 1 -12.739 34.033 2.429 1.00 32.24 H new ATOM 0 HG3 MET A 1 -13.871 34.048 3.767 1.00 32.24 H new ATOM 0 HE1 MET A 1 -15.327 31.242 1.409 1.00 63.15 H new ATOM 0 HE2 MET A 1 -13.612 31.626 1.690 1.00 63.15 H new ATOM 0 HE3 MET A 1 -14.759 31.635 3.050 1.00 63.15 H new ATOM 20 N GLY A 2 -10.714 36.657 2.088 1.00 42.24 N ATOM 21 CA GLY A 2 -9.407 36.208 1.616 1.00 43.34 C ATOM 22 C GLY A 2 -9.498 35.118 0.553 1.00 23.22 C ATOM 23 O GLY A 2 -10.556 34.909 -0.051 1.00 10.44 O ATOM 0 H GLY A 2 -11.106 37.443 1.569 1.00 42.24 H new ATOM 0 HA2 GLY A 2 -8.862 37.060 1.209 1.00 43.34 H new ATOM 0 HA3 GLY A 2 -8.830 35.835 2.462 1.00 43.34 H new ATOM 27 N PHE A 3 -8.388 34.425 0.316 1.00 62.30 N ATOM 28 CA PHE A 3 -8.341 33.336 -0.667 1.00 3.33 C ATOM 29 C PHE A 3 -7.802 32.046 -0.029 1.00 0.30 C ATOM 30 O PHE A 3 -6.692 32.029 0.506 1.00 52.45 O ATOM 31 CB PHE A 3 -7.464 33.730 -1.867 1.00 1.41 C ATOM 32 CG PHE A 3 -7.903 34.999 -2.554 1.00 74.11 C ATOM 33 CD1 PHE A 3 -9.050 35.022 -3.336 1.00 54.54 C ATOM 34 CD2 PHE A 3 -7.173 36.171 -2.412 1.00 63.53 C ATOM 35 CE1 PHE A 3 -9.456 36.185 -3.960 1.00 52.54 C ATOM 36 CE2 PHE A 3 -7.576 37.337 -3.036 1.00 3.41 C ATOM 37 CZ PHE A 3 -8.720 37.344 -3.809 1.00 72.13 C ATOM 0 H PHE A 3 -7.502 34.596 0.792 1.00 62.30 H new ATOM 0 HA PHE A 3 -9.358 33.154 -1.015 1.00 3.33 H new ATOM 0 HB2 PHE A 3 -6.435 33.849 -1.529 1.00 1.41 H new ATOM 0 HB3 PHE A 3 -7.469 32.916 -2.591 1.00 1.41 H new ATOM 0 HD1 PHE A 3 -9.631 34.120 -3.458 1.00 54.54 H new ATOM 0 HD2 PHE A 3 -6.279 36.172 -1.806 1.00 63.53 H new ATOM 0 HE1 PHE A 3 -10.350 36.188 -4.567 1.00 52.54 H new ATOM 0 HE2 PHE A 3 -6.997 38.241 -2.919 1.00 3.41 H new ATOM 0 HZ PHE A 3 -9.039 38.254 -4.295 1.00 72.13 H new ATOM 47 N LYS A 4 -8.588 30.970 -0.097 1.00 71.42 N ATOM 48 CA LYS A 4 -8.201 29.679 0.493 1.00 51.42 C ATOM 49 C LYS A 4 -6.818 29.215 0.002 1.00 1.31 C ATOM 50 O LYS A 4 -6.489 29.343 -1.180 1.00 44.12 O ATOM 51 CB LYS A 4 -9.266 28.614 0.184 1.00 34.10 C ATOM 52 CG LYS A 4 -9.496 28.365 -1.311 1.00 44.00 C ATOM 53 CD LYS A 4 -10.624 27.359 -1.557 1.00 24.42 C ATOM 54 CE LYS A 4 -11.976 27.884 -1.075 1.00 22.33 C ATOM 55 NZ LYS A 4 -12.434 29.057 -1.869 1.00 24.20 N ATOM 0 H LYS A 4 -9.499 30.963 -0.555 1.00 71.42 H new ATOM 0 HA LYS A 4 -8.134 29.816 1.572 1.00 51.42 H new ATOM 0 HB2 LYS A 4 -8.972 27.676 0.655 1.00 34.10 H new ATOM 0 HB3 LYS A 4 -10.209 28.918 0.639 1.00 34.10 H new ATOM 0 HG2 LYS A 4 -9.737 29.307 -1.803 1.00 44.00 H new ATOM 0 HG3 LYS A 4 -8.576 27.996 -1.763 1.00 44.00 H new ATOM 0 HD2 LYS A 4 -10.682 27.133 -2.622 1.00 24.42 H new ATOM 0 HD3 LYS A 4 -10.394 26.425 -1.045 1.00 24.42 H new ATOM 0 HE2 LYS A 4 -12.718 27.089 -1.142 1.00 22.33 H new ATOM 0 HE3 LYS A 4 -11.902 28.164 -0.024 1.00 22.33 H new ATOM 0 HZ1 LYS A 4 -13.421 29.276 -1.626 1.00 24.20 H new ATOM 0 HZ2 LYS A 4 -11.834 29.878 -1.653 1.00 24.20 H new ATOM 0 HZ3 LYS A 4 -12.368 28.837 -2.883 1.00 24.20 H new ATOM 69 N LEU A 5 -6.011 28.683 0.919 1.00 72.11 N ATOM 70 CA LEU A 5 -4.631 28.281 0.609 1.00 12.53 C ATOM 71 C LEU A 5 -4.563 26.834 0.090 1.00 71.31 C ATOM 72 O LEU A 5 -3.909 26.553 -0.919 1.00 11.21 O ATOM 73 CB LEU A 5 -3.727 28.431 1.851 1.00 23.32 C ATOM 74 CG LEU A 5 -3.530 29.867 2.386 1.00 21.52 C ATOM 75 CD1 LEU A 5 -3.041 30.804 1.286 1.00 72.43 C ATOM 76 CD2 LEU A 5 -4.808 30.405 3.031 1.00 34.05 C ATOM 0 H LEU A 5 -6.286 28.518 1.887 1.00 72.11 H new ATOM 0 HA LEU A 5 -4.272 28.943 -0.179 1.00 12.53 H new ATOM 0 HB2 LEU A 5 -4.144 27.822 2.653 1.00 23.32 H new ATOM 0 HB3 LEU A 5 -2.747 28.017 1.613 1.00 23.32 H new ATOM 0 HG LEU A 5 -2.762 29.823 3.158 1.00 21.52 H new ATOM 0 HD11 LEU A 5 -2.912 31.807 1.693 1.00 72.43 H new ATOM 0 HD12 LEU A 5 -2.088 30.444 0.899 1.00 72.43 H new ATOM 0 HD13 LEU A 5 -3.773 30.832 0.479 1.00 72.43 H new ATOM 0 HD21 LEU A 5 -4.633 31.417 3.396 1.00 34.05 H new ATOM 0 HD22 LEU A 5 -5.610 30.419 2.293 1.00 34.05 H new ATOM 0 HD23 LEU A 5 -5.093 29.763 3.864 1.00 34.05 H new ATOM 88 N ARG A 6 -5.243 25.925 0.786 1.00 40.22 N ATOM 89 CA ARG A 6 -5.216 24.498 0.442 1.00 61.12 C ATOM 90 C ARG A 6 -5.855 24.238 -0.931 1.00 24.44 C ATOM 91 O ARG A 6 -7.078 24.227 -1.069 1.00 45.33 O ATOM 92 CB ARG A 6 -5.931 23.688 1.545 1.00 75.51 C ATOM 93 CG ARG A 6 -5.730 22.167 1.481 1.00 33.10 C ATOM 94 CD ARG A 6 -6.592 21.489 0.415 1.00 5.14 C ATOM 95 NE ARG A 6 -8.009 21.814 0.566 1.00 25.55 N ATOM 96 CZ ARG A 6 -8.968 21.291 -0.147 1.00 61.44 C ATOM 97 NH1 ARG A 6 -8.712 20.396 -1.050 1.00 63.31 N ATOM 98 NH2 ARG A 6 -10.186 21.675 0.042 1.00 55.24 N ATOM 0 H ARG A 6 -5.822 26.149 1.595 1.00 40.22 H new ATOM 0 HA ARG A 6 -4.177 24.176 0.378 1.00 61.12 H new ATOM 0 HB2 ARG A 6 -5.584 24.043 2.515 1.00 75.51 H new ATOM 0 HB3 ARG A 6 -6.999 23.899 1.492 1.00 75.51 H new ATOM 0 HG2 ARG A 6 -4.680 21.954 1.279 1.00 33.10 H new ATOM 0 HG3 ARG A 6 -5.962 21.735 2.455 1.00 33.10 H new ATOM 0 HD2 ARG A 6 -6.253 21.797 -0.574 1.00 5.14 H new ATOM 0 HD3 ARG A 6 -6.460 20.409 0.475 1.00 5.14 H new ATOM 0 HE ARG A 6 -8.266 22.497 1.278 1.00 25.55 H new ATOM 0 HH11 ARG A 6 -7.751 20.093 -1.210 1.00 63.31 H new ATOM 0 HH12 ARG A 6 -9.471 19.995 -1.600 1.00 63.31 H new ATOM 0 HH21 ARG A 6 -10.394 22.384 0.746 1.00 55.24 H new ATOM 0 HH22 ARG A 6 -10.940 21.270 -0.512 1.00 55.24 H new ATOM 112 N GLY A 7 -5.017 24.047 -1.946 1.00 62.13 N ATOM 113 CA GLY A 7 -5.510 23.688 -3.275 1.00 64.52 C ATOM 114 C GLY A 7 -5.271 22.218 -3.623 1.00 10.10 C ATOM 115 O GLY A 7 -5.760 21.726 -4.643 1.00 63.13 O ATOM 0 H GLY A 7 -4.003 24.133 -1.877 1.00 62.13 H new ATOM 0 HA2 GLY A 7 -6.578 23.900 -3.330 1.00 64.52 H new ATOM 0 HA3 GLY A 7 -5.022 24.316 -4.020 1.00 64.52 H new ATOM 119 N GLN A 8 -4.525 21.514 -2.768 1.00 45.45 N ATOM 120 CA GLN A 8 -4.165 20.107 -3.004 1.00 5.44 C ATOM 121 C GLN A 8 -5.316 19.144 -2.653 1.00 65.20 C ATOM 122 O GLN A 8 -6.357 19.553 -2.133 1.00 41.44 O ATOM 123 CB GLN A 8 -2.922 19.739 -2.176 1.00 75.43 C ATOM 124 CG GLN A 8 -1.686 20.580 -2.484 1.00 35.42 C ATOM 125 CD GLN A 8 -1.256 20.484 -3.937 1.00 32.32 C ATOM 126 OE1 GLN A 8 -1.667 21.280 -4.776 1.00 55.31 O ATOM 127 NE2 GLN A 8 -0.439 19.500 -4.247 1.00 53.44 N ATOM 0 H GLN A 8 -4.154 21.896 -1.898 1.00 45.45 H new ATOM 0 HA GLN A 8 -3.954 20.001 -4.068 1.00 5.44 H new ATOM 0 HB2 GLN A 8 -3.162 19.842 -1.118 1.00 75.43 H new ATOM 0 HB3 GLN A 8 -2.684 18.689 -2.348 1.00 75.43 H new ATOM 0 HG2 GLN A 8 -1.891 21.622 -2.239 1.00 35.42 H new ATOM 0 HG3 GLN A 8 -0.864 20.258 -1.845 1.00 35.42 H new ATOM 0 HE21 GLN A 8 -0.117 18.857 -3.523 1.00 53.44 H new ATOM 0 HE22 GLN A 8 -0.127 19.380 -5.211 1.00 53.44 H new ATOM 136 N VAL A 9 -5.116 17.861 -2.947 1.00 55.55 N ATOM 137 CA VAL A 9 -6.077 16.811 -2.577 1.00 61.35 C ATOM 138 C VAL A 9 -6.173 16.647 -1.049 1.00 23.42 C ATOM 139 O VAL A 9 -7.212 16.260 -0.515 1.00 64.44 O ATOM 140 CB VAL A 9 -5.691 15.456 -3.222 1.00 4.34 C ATOM 141 CG1 VAL A 9 -4.326 14.980 -2.724 1.00 35.43 C ATOM 142 CG2 VAL A 9 -6.767 14.398 -2.966 1.00 34.14 C ATOM 0 H VAL A 9 -4.294 17.517 -3.443 1.00 55.55 H new ATOM 0 HA VAL A 9 -7.052 17.121 -2.954 1.00 61.35 H new ATOM 0 HB VAL A 9 -5.621 15.608 -4.299 1.00 4.34 H new ATOM 0 HG11 VAL A 9 -4.080 14.027 -3.192 1.00 35.43 H new ATOM 0 HG12 VAL A 9 -3.567 15.718 -2.982 1.00 35.43 H new ATOM 0 HG13 VAL A 9 -4.357 14.855 -1.642 1.00 35.43 H new ATOM 0 HG21 VAL A 9 -6.470 13.457 -3.430 1.00 34.14 H new ATOM 0 HG22 VAL A 9 -6.885 14.252 -1.892 1.00 34.14 H new ATOM 0 HG23 VAL A 9 -7.713 14.730 -3.393 1.00 34.14 H new ATOM 152 N SER A 10 -5.078 16.949 -0.355 1.00 0.33 N ATOM 153 CA SER A 10 -5.040 16.897 1.112 1.00 23.44 C ATOM 154 C SER A 10 -4.149 18.017 1.664 1.00 55.04 C ATOM 155 O SER A 10 -3.636 18.841 0.906 1.00 70.01 O ATOM 156 CB SER A 10 -4.519 15.534 1.596 1.00 40.43 C ATOM 157 OG SER A 10 -4.619 15.418 3.008 1.00 62.35 O ATOM 0 H SER A 10 -4.198 17.234 -0.785 1.00 0.33 H new ATOM 0 HA SER A 10 -6.056 17.035 1.481 1.00 23.44 H new ATOM 0 HB2 SER A 10 -5.088 14.735 1.122 1.00 40.43 H new ATOM 0 HB3 SER A 10 -3.480 15.410 1.291 1.00 40.43 H new ATOM 0 HG SER A 10 -3.983 14.744 3.327 1.00 62.35 H new ATOM 163 N GLU A 11 -3.961 18.042 2.978 1.00 55.41 N ATOM 164 CA GLU A 11 -3.119 19.057 3.618 1.00 14.31 C ATOM 165 C GLU A 11 -2.491 18.525 4.912 1.00 3.42 C ATOM 166 O GLU A 11 -3.064 17.670 5.589 1.00 44.41 O ATOM 167 CB GLU A 11 -3.934 20.326 3.910 1.00 1.25 C ATOM 168 CG GLU A 11 -5.085 20.120 4.893 1.00 10.41 C ATOM 169 CD GLU A 11 -5.919 21.376 5.098 1.00 43.24 C ATOM 170 OE1 GLU A 11 -5.364 22.392 5.570 1.00 62.32 O ATOM 171 OE2 GLU A 11 -7.129 21.355 4.788 1.00 44.41 O ATOM 0 H GLU A 11 -4.378 17.373 3.625 1.00 55.41 H new ATOM 0 HA GLU A 11 -2.314 19.304 2.926 1.00 14.31 H new ATOM 0 HB2 GLU A 11 -3.265 21.090 4.306 1.00 1.25 H new ATOM 0 HB3 GLU A 11 -4.336 20.709 2.972 1.00 1.25 H new ATOM 0 HG2 GLU A 11 -5.728 19.318 4.530 1.00 10.41 H new ATOM 0 HG3 GLU A 11 -4.683 19.796 5.853 1.00 10.41 H new ATOM 178 N LEU A 12 -1.306 19.028 5.241 1.00 11.41 N ATOM 179 CA LEU A 12 -0.596 18.625 6.458 1.00 1.25 C ATOM 180 C LEU A 12 0.259 19.778 7.020 1.00 63.53 C ATOM 181 O LEU A 12 0.877 20.533 6.266 1.00 33.32 O ATOM 182 CB LEU A 12 0.263 17.367 6.197 1.00 24.33 C ATOM 183 CG LEU A 12 0.799 17.184 4.757 1.00 70.42 C ATOM 184 CD1 LEU A 12 1.786 18.281 4.369 1.00 71.42 C ATOM 185 CD2 LEU A 12 1.436 15.806 4.594 1.00 14.45 C ATOM 0 H LEU A 12 -0.811 19.721 4.680 1.00 11.41 H new ATOM 0 HA LEU A 12 -1.341 18.376 7.214 1.00 1.25 H new ATOM 0 HB2 LEU A 12 1.114 17.388 6.878 1.00 24.33 H new ATOM 0 HB3 LEU A 12 -0.330 16.489 6.454 1.00 24.33 H new ATOM 0 HG LEU A 12 -0.053 17.261 4.081 1.00 70.42 H new ATOM 0 HD11 LEU A 12 2.136 18.112 3.351 1.00 71.42 H new ATOM 0 HD12 LEU A 12 1.293 19.251 4.427 1.00 71.42 H new ATOM 0 HD13 LEU A 12 2.635 18.264 5.052 1.00 71.42 H new ATOM 0 HD21 LEU A 12 1.807 15.695 3.575 1.00 14.45 H new ATOM 0 HD22 LEU A 12 2.264 15.703 5.295 1.00 14.45 H new ATOM 0 HD23 LEU A 12 0.692 15.035 4.795 1.00 14.45 H new ATOM 197 N PRO A 13 0.285 19.941 8.358 1.00 14.33 N ATOM 198 CA PRO A 13 1.078 20.998 9.017 1.00 2.11 C ATOM 199 C PRO A 13 2.593 20.830 8.799 1.00 70.52 C ATOM 200 O PRO A 13 3.321 21.806 8.622 1.00 34.11 O ATOM 201 CB PRO A 13 0.729 20.838 10.509 1.00 12.30 C ATOM 202 CG PRO A 13 -0.537 20.045 10.531 1.00 74.41 C ATOM 203 CD PRO A 13 -0.470 19.137 9.336 1.00 32.43 C ATOM 0 HA PRO A 13 0.844 21.983 8.613 1.00 2.11 H new ATOM 0 HB2 PRO A 13 1.525 20.324 11.047 1.00 12.30 H new ATOM 0 HB3 PRO A 13 0.595 21.808 10.988 1.00 12.30 H new ATOM 0 HG2 PRO A 13 -0.624 19.471 11.454 1.00 74.41 H new ATOM 0 HG3 PRO A 13 -1.408 20.698 10.478 1.00 74.41 H new ATOM 0 HD2 PRO A 13 0.037 18.200 9.567 1.00 32.43 H new ATOM 0 HD3 PRO A 13 -1.463 18.879 8.967 1.00 32.43 H new ATOM 211 N PHE A 14 3.057 19.582 8.816 1.00 61.12 N ATOM 212 CA PHE A 14 4.482 19.280 8.647 1.00 44.22 C ATOM 213 C PHE A 14 4.874 19.158 7.164 1.00 54.24 C ATOM 214 O PHE A 14 4.399 18.278 6.450 1.00 12.53 O ATOM 215 CB PHE A 14 4.849 17.997 9.418 1.00 4.30 C ATOM 216 CG PHE A 14 3.833 16.879 9.308 1.00 34.13 C ATOM 217 CD1 PHE A 14 3.793 16.054 8.193 1.00 51.31 C ATOM 218 CD2 PHE A 14 2.919 16.651 10.331 1.00 61.32 C ATOM 219 CE1 PHE A 14 2.867 15.032 8.098 1.00 14.13 C ATOM 220 CE2 PHE A 14 1.993 15.629 10.239 1.00 14.21 C ATOM 221 CZ PHE A 14 1.968 14.820 9.122 1.00 44.21 C ATOM 0 H PHE A 14 2.467 18.760 8.945 1.00 61.12 H new ATOM 0 HA PHE A 14 5.049 20.115 9.059 1.00 44.22 H new ATOM 0 HB2 PHE A 14 5.810 17.633 9.054 1.00 4.30 H new ATOM 0 HB3 PHE A 14 4.981 18.247 10.471 1.00 4.30 H new ATOM 0 HD1 PHE A 14 4.495 16.213 7.388 1.00 51.31 H new ATOM 0 HD2 PHE A 14 2.933 17.280 11.208 1.00 61.32 H new ATOM 0 HE1 PHE A 14 2.848 14.400 7.222 1.00 14.13 H new ATOM 0 HE2 PHE A 14 1.289 15.464 11.041 1.00 14.21 H new ATOM 0 HZ PHE A 14 1.245 14.021 9.049 1.00 44.21 H new ATOM 231 N GLU A 15 5.755 20.048 6.709 1.00 63.11 N ATOM 232 CA GLU A 15 6.223 20.038 5.316 1.00 14.01 C ATOM 233 C GLU A 15 7.566 19.299 5.172 1.00 0.10 C ATOM 234 O GLU A 15 8.280 19.480 4.189 1.00 11.20 O ATOM 235 CB GLU A 15 6.373 21.477 4.801 1.00 14.01 C ATOM 236 CG GLU A 15 7.472 22.276 5.498 1.00 33.52 C ATOM 237 CD GLU A 15 7.755 23.598 4.805 1.00 65.32 C ATOM 238 OE1 GLU A 15 8.247 23.574 3.657 1.00 43.31 O ATOM 239 OE2 GLU A 15 7.484 24.664 5.393 1.00 43.14 O ATOM 0 H GLU A 15 6.162 20.787 7.282 1.00 63.11 H new ATOM 0 HA GLU A 15 5.478 19.508 4.723 1.00 14.01 H new ATOM 0 HB2 GLU A 15 6.581 21.449 3.731 1.00 14.01 H new ATOM 0 HB3 GLU A 15 5.424 21.998 4.927 1.00 14.01 H new ATOM 0 HG2 GLU A 15 7.180 22.466 6.531 1.00 33.52 H new ATOM 0 HG3 GLU A 15 8.385 21.682 5.529 1.00 33.52 H new ATOM 246 N ARG A 16 7.893 18.454 6.149 1.00 63.33 N ATOM 247 CA ARG A 16 9.176 17.738 6.167 1.00 0.54 C ATOM 248 C ARG A 16 9.095 16.468 7.035 1.00 75.23 C ATOM 249 O ARG A 16 8.945 16.544 8.260 1.00 44.32 O ATOM 250 CB ARG A 16 10.291 18.678 6.669 1.00 64.22 C ATOM 251 CG ARG A 16 9.873 19.546 7.853 1.00 73.43 C ATOM 252 CD ARG A 16 10.967 20.526 8.266 1.00 31.23 C ATOM 253 NE ARG A 16 10.469 21.510 9.225 1.00 63.21 N ATOM 254 CZ ARG A 16 10.367 21.306 10.510 1.00 33.02 C ATOM 255 NH1 ARG A 16 10.766 20.193 11.042 1.00 22.31 N ATOM 256 NH2 ARG A 16 9.867 22.231 11.266 1.00 11.50 N ATOM 0 H ARG A 16 7.287 18.245 6.943 1.00 63.33 H new ATOM 0 HA ARG A 16 9.411 17.422 5.151 1.00 0.54 H new ATOM 0 HB2 ARG A 16 11.157 18.081 6.955 1.00 64.22 H new ATOM 0 HB3 ARG A 16 10.606 19.324 5.849 1.00 64.22 H new ATOM 0 HG2 ARG A 16 8.971 20.100 7.594 1.00 73.43 H new ATOM 0 HG3 ARG A 16 9.623 18.906 8.699 1.00 73.43 H new ATOM 0 HD2 ARG A 16 11.801 19.978 8.705 1.00 31.23 H new ATOM 0 HD3 ARG A 16 11.351 21.038 7.384 1.00 31.23 H new ATOM 0 HE ARG A 16 10.181 22.420 8.865 1.00 63.21 H new ATOM 0 HH11 ARG A 16 11.166 19.462 10.454 1.00 22.31 H new ATOM 0 HH12 ARG A 16 10.680 20.049 12.048 1.00 22.31 H new ATOM 0 HH21 ARG A 16 9.556 23.112 10.856 1.00 11.50 H new ATOM 0 HH22 ARG A 16 9.784 22.079 12.271 1.00 11.50 H new ATOM 270 N VAL A 17 9.185 15.302 6.392 1.00 3.52 N ATOM 271 CA VAL A 17 9.061 14.008 7.085 1.00 53.44 C ATOM 272 C VAL A 17 10.155 13.017 6.660 1.00 73.34 C ATOM 273 O VAL A 17 10.730 13.133 5.577 1.00 22.53 O ATOM 274 CB VAL A 17 7.677 13.354 6.830 1.00 42.35 C ATOM 275 CG1 VAL A 17 6.560 14.195 7.445 1.00 42.13 C ATOM 276 CG2 VAL A 17 7.439 13.146 5.333 1.00 52.15 C ATOM 0 H VAL A 17 9.344 15.222 5.388 1.00 3.52 H new ATOM 0 HA VAL A 17 9.172 14.227 8.147 1.00 53.44 H new ATOM 0 HB VAL A 17 7.671 12.376 7.311 1.00 42.35 H new ATOM 0 HG11 VAL A 17 5.599 13.718 7.254 1.00 42.13 H new ATOM 0 HG12 VAL A 17 6.717 14.278 8.520 1.00 42.13 H new ATOM 0 HG13 VAL A 17 6.566 15.190 7.000 1.00 42.13 H new ATOM 0 HG21 VAL A 17 6.463 12.686 5.180 1.00 52.15 H new ATOM 0 HG22 VAL A 17 7.471 14.108 4.822 1.00 52.15 H new ATOM 0 HG23 VAL A 17 8.214 12.495 4.928 1.00 52.15 H new ATOM 286 N TYR A 18 10.430 12.042 7.526 1.00 21.35 N ATOM 287 CA TYR A 18 11.422 10.993 7.250 1.00 63.44 C ATOM 288 C TYR A 18 10.735 9.634 7.062 1.00 51.24 C ATOM 289 O TYR A 18 9.803 9.295 7.789 1.00 43.41 O ATOM 290 CB TYR A 18 12.438 10.920 8.402 1.00 21.02 C ATOM 291 CG TYR A 18 13.474 9.815 8.268 1.00 1.44 C ATOM 292 CD1 TYR A 18 14.444 9.857 7.273 1.00 43.11 C ATOM 293 CD2 TYR A 18 13.495 8.738 9.153 1.00 1.10 C ATOM 294 CE1 TYR A 18 15.398 8.862 7.162 1.00 41.01 C ATOM 295 CE2 TYR A 18 14.445 7.741 9.044 1.00 4.44 C ATOM 296 CZ TYR A 18 15.395 7.808 8.049 1.00 5.10 C ATOM 297 OH TYR A 18 16.348 6.819 7.945 1.00 40.55 O ATOM 0 H TYR A 18 9.976 11.953 8.435 1.00 21.35 H new ATOM 0 HA TYR A 18 11.946 11.242 6.327 1.00 63.44 H new ATOM 0 HB2 TYR A 18 12.955 11.877 8.473 1.00 21.02 H new ATOM 0 HB3 TYR A 18 11.896 10.780 9.337 1.00 21.02 H new ATOM 0 HD1 TYR A 18 14.453 10.681 6.575 1.00 43.11 H new ATOM 0 HD2 TYR A 18 12.755 8.682 9.938 1.00 1.10 H new ATOM 0 HE1 TYR A 18 16.143 8.911 6.382 1.00 41.01 H new ATOM 0 HE2 TYR A 18 14.443 6.912 9.736 1.00 4.44 H new ATOM 0 HH TYR A 18 16.204 6.151 8.648 1.00 40.55 H new ATOM 307 N ILE A 19 11.195 8.859 6.089 1.00 53.12 N ATOM 308 CA ILE A 19 10.600 7.550 5.796 1.00 10.11 C ATOM 309 C ILE A 19 11.663 6.443 5.779 1.00 13.31 C ATOM 310 O ILE A 19 12.792 6.654 5.332 1.00 3.54 O ATOM 311 CB ILE A 19 9.853 7.573 4.437 1.00 44.02 C ATOM 312 CG1 ILE A 19 9.174 6.218 4.154 1.00 11.42 C ATOM 313 CG2 ILE A 19 10.812 7.944 3.307 1.00 50.43 C ATOM 314 CD1 ILE A 19 8.413 6.174 2.843 1.00 63.04 C ATOM 0 H ILE A 19 11.978 9.109 5.486 1.00 53.12 H new ATOM 0 HA ILE A 19 9.887 7.335 6.592 1.00 10.11 H new ATOM 0 HB ILE A 19 9.073 8.332 4.492 1.00 44.02 H new ATOM 0 HG12 ILE A 19 9.934 5.436 4.148 1.00 11.42 H new ATOM 0 HG13 ILE A 19 8.487 5.989 4.969 1.00 11.42 H new ATOM 0 HG21 ILE A 19 10.272 7.956 2.360 1.00 50.43 H new ATOM 0 HG22 ILE A 19 11.233 8.931 3.497 1.00 50.43 H new ATOM 0 HG23 ILE A 19 11.616 7.210 3.257 1.00 50.43 H new ATOM 0 HD11 ILE A 19 7.964 5.189 2.716 1.00 63.04 H new ATOM 0 HD12 ILE A 19 7.629 6.932 2.852 1.00 63.04 H new ATOM 0 HD13 ILE A 19 9.098 6.370 2.018 1.00 63.04 H new ATOM 326 N THR A 20 11.296 5.262 6.271 1.00 3.45 N ATOM 327 CA THR A 20 12.217 4.119 6.307 1.00 54.22 C ATOM 328 C THR A 20 11.496 2.792 6.032 1.00 51.22 C ATOM 329 O THR A 20 10.275 2.687 6.175 1.00 74.44 O ATOM 330 CB THR A 20 12.959 4.022 7.664 1.00 4.35 C ATOM 331 OG1 THR A 20 13.764 2.834 7.709 1.00 23.35 O ATOM 332 CG2 THR A 20 11.977 4.017 8.831 1.00 23.21 C ATOM 0 H THR A 20 10.370 5.067 6.651 1.00 3.45 H new ATOM 0 HA THR A 20 12.945 4.294 5.515 1.00 54.22 H new ATOM 0 HB THR A 20 13.600 4.899 7.754 1.00 4.35 H new ATOM 0 HG1 THR A 20 14.228 2.786 8.571 1.00 23.35 H new ATOM 0 HG21 THR A 20 12.527 3.948 9.769 1.00 23.21 H new ATOM 0 HG22 THR A 20 11.393 4.938 8.819 1.00 23.21 H new ATOM 0 HG23 THR A 20 11.307 3.162 8.739 1.00 23.21 H new ATOM 340 N ALA A 21 12.271 1.782 5.646 1.00 74.42 N ATOM 341 CA ALA A 21 11.736 0.457 5.318 1.00 71.13 C ATOM 342 C ALA A 21 12.789 -0.634 5.576 1.00 73.24 C ATOM 343 O ALA A 21 13.928 -0.513 5.120 1.00 13.43 O ATOM 344 CB ALA A 21 11.276 0.419 3.863 1.00 3.44 C ATOM 0 H ALA A 21 13.284 1.855 5.551 1.00 74.42 H new ATOM 0 HA ALA A 21 10.878 0.263 5.962 1.00 71.13 H new ATOM 0 HB1 ALA A 21 10.881 -0.570 3.632 1.00 3.44 H new ATOM 0 HB2 ALA A 21 10.498 1.166 3.708 1.00 3.44 H new ATOM 0 HB3 ALA A 21 12.121 0.634 3.209 1.00 3.44 H new ATOM 350 N PRO A 22 12.416 -1.725 6.284 1.00 71.25 N ATOM 351 CA PRO A 22 13.358 -2.782 6.720 1.00 64.31 C ATOM 352 C PRO A 22 14.334 -3.246 5.622 1.00 15.43 C ATOM 353 O PRO A 22 15.513 -3.495 5.887 1.00 1.43 O ATOM 354 CB PRO A 22 12.430 -3.943 7.148 1.00 52.21 C ATOM 355 CG PRO A 22 11.051 -3.535 6.731 1.00 73.13 C ATOM 356 CD PRO A 22 11.049 -2.035 6.720 1.00 21.43 C ATOM 0 HA PRO A 22 14.011 -2.415 7.512 1.00 64.31 H new ATOM 0 HB2 PRO A 22 12.724 -4.876 6.668 1.00 52.21 H new ATOM 0 HB3 PRO A 22 12.481 -4.108 8.224 1.00 52.21 H new ATOM 0 HG2 PRO A 22 10.808 -3.933 5.746 1.00 73.13 H new ATOM 0 HG3 PRO A 22 10.304 -3.921 7.424 1.00 73.13 H new ATOM 0 HD2 PRO A 22 10.302 -1.634 6.034 1.00 21.43 H new ATOM 0 HD3 PRO A 22 10.832 -1.621 7.705 1.00 21.43 H new ATOM 364 N ALA A 23 13.840 -3.364 4.390 1.00 42.35 N ATOM 365 CA ALA A 23 14.673 -3.789 3.256 1.00 21.41 C ATOM 366 C ALA A 23 14.546 -2.825 2.067 1.00 63.21 C ATOM 367 O ALA A 23 14.858 -3.179 0.930 1.00 50.42 O ATOM 368 CB ALA A 23 14.289 -5.208 2.838 1.00 51.14 C ATOM 0 H ALA A 23 12.868 -3.172 4.148 1.00 42.35 H new ATOM 0 HA ALA A 23 15.715 -3.775 3.575 1.00 21.41 H new ATOM 0 HB1 ALA A 23 14.908 -5.520 1.997 1.00 51.14 H new ATOM 0 HB2 ALA A 23 14.444 -5.889 3.675 1.00 51.14 H new ATOM 0 HB3 ALA A 23 13.240 -5.229 2.543 1.00 51.14 H new ATOM 374 N GLY A 24 14.108 -1.594 2.341 1.00 40.34 N ATOM 375 CA GLY A 24 13.863 -0.624 1.273 1.00 2.23 C ATOM 376 C GLY A 24 12.893 -1.147 0.216 1.00 32.15 C ATOM 377 O GLY A 24 13.253 -1.288 -0.954 1.00 12.20 O ATOM 0 H GLY A 24 13.918 -1.249 3.282 1.00 40.34 H new ATOM 0 HA2 GLY A 24 13.464 0.293 1.705 1.00 2.23 H new ATOM 0 HA3 GLY A 24 14.809 -0.367 0.797 1.00 2.23 H new ATOM 381 N LEU A 25 11.660 -1.425 0.633 1.00 32.34 N ATOM 382 CA LEU A 25 10.662 -2.055 -0.244 1.00 2.15 C ATOM 383 C LEU A 25 10.138 -1.082 -1.313 1.00 62.24 C ATOM 384 O LEU A 25 10.097 0.135 -1.101 1.00 20.12 O ATOM 385 CB LEU A 25 9.471 -2.587 0.575 1.00 21.33 C ATOM 386 CG LEU A 25 9.780 -3.681 1.620 1.00 41.10 C ATOM 387 CD1 LEU A 25 10.509 -3.103 2.828 1.00 64.23 C ATOM 388 CD2 LEU A 25 8.494 -4.383 2.059 1.00 4.04 C ATOM 0 H LEU A 25 11.322 -1.225 1.575 1.00 32.34 H new ATOM 0 HA LEU A 25 11.165 -2.882 -0.744 1.00 2.15 H new ATOM 0 HB2 LEU A 25 9.010 -1.745 1.091 1.00 21.33 H new ATOM 0 HB3 LEU A 25 8.729 -2.980 -0.120 1.00 21.33 H new ATOM 0 HG LEU A 25 10.436 -4.414 1.151 1.00 41.10 H new ATOM 0 HD11 LEU A 25 10.712 -3.898 3.545 1.00 64.23 H new ATOM 0 HD12 LEU A 25 11.449 -2.656 2.506 1.00 64.23 H new ATOM 0 HD13 LEU A 25 9.887 -2.341 3.298 1.00 64.23 H new ATOM 0 HD21 LEU A 25 8.732 -5.151 2.795 1.00 4.04 H new ATOM 0 HD22 LEU A 25 7.814 -3.654 2.501 1.00 4.04 H new ATOM 0 HD23 LEU A 25 8.018 -4.845 1.194 1.00 4.04 H new ATOM 400 N THR A 26 9.717 -1.632 -2.452 1.00 74.05 N ATOM 401 CA THR A 26 9.121 -0.836 -3.538 1.00 73.23 C ATOM 402 C THR A 26 7.956 0.026 -3.031 1.00 23.04 C ATOM 403 O THR A 26 7.781 1.164 -3.470 1.00 74.33 O ATOM 404 CB THR A 26 8.606 -1.730 -4.697 1.00 64.21 C ATOM 405 OG1 THR A 26 7.653 -2.685 -4.203 1.00 55.04 O ATOM 406 CG2 THR A 26 9.757 -2.461 -5.383 1.00 33.32 C ATOM 0 H THR A 26 9.776 -2.630 -2.652 1.00 74.05 H new ATOM 0 HA THR A 26 9.917 -0.191 -3.910 1.00 73.23 H new ATOM 0 HB THR A 26 8.124 -1.082 -5.429 1.00 64.21 H new ATOM 0 HG1 THR A 26 7.334 -3.242 -4.944 1.00 55.04 H new ATOM 0 HG21 THR A 26 9.365 -3.079 -6.191 1.00 33.32 H new ATOM 0 HG22 THR A 26 10.459 -1.733 -5.791 1.00 33.32 H new ATOM 0 HG23 THR A 26 10.270 -3.093 -4.658 1.00 33.32 H new ATOM 414 N ILE A 27 7.169 -0.523 -2.099 1.00 15.25 N ATOM 415 CA ILE A 27 6.052 0.210 -1.483 1.00 44.04 C ATOM 416 C ILE A 27 6.531 1.509 -0.802 1.00 71.32 C ATOM 417 O ILE A 27 5.859 2.540 -0.861 1.00 3.14 O ATOM 418 CB ILE A 27 5.299 -0.673 -0.445 1.00 44.25 C ATOM 419 CG1 ILE A 27 4.092 0.087 0.142 1.00 63.15 C ATOM 420 CG2 ILE A 27 6.245 -1.132 0.670 1.00 43.42 C ATOM 421 CD1 ILE A 27 3.274 -0.723 1.130 1.00 64.01 C ATOM 0 H ILE A 27 7.284 -1.475 -1.752 1.00 15.25 H new ATOM 0 HA ILE A 27 5.367 0.471 -2.289 1.00 44.04 H new ATOM 0 HB ILE A 27 4.928 -1.559 -0.960 1.00 44.25 H new ATOM 0 HG12 ILE A 27 4.450 0.990 0.636 1.00 63.15 H new ATOM 0 HG13 ILE A 27 3.444 0.406 -0.675 1.00 63.15 H new ATOM 0 HG21 ILE A 27 5.696 -1.747 1.383 1.00 43.42 H new ATOM 0 HG22 ILE A 27 7.059 -1.715 0.239 1.00 43.42 H new ATOM 0 HG23 ILE A 27 6.654 -0.261 1.182 1.00 43.42 H new ATOM 0 HD11 ILE A 27 2.444 -0.119 1.497 1.00 64.01 H new ATOM 0 HD12 ILE A 27 2.884 -1.613 0.636 1.00 64.01 H new ATOM 0 HD13 ILE A 27 3.905 -1.020 1.968 1.00 64.01 H new ATOM 433 N GLY A 28 7.704 1.453 -0.171 1.00 32.51 N ATOM 434 CA GLY A 28 8.252 2.626 0.502 1.00 55.24 C ATOM 435 C GLY A 28 8.667 3.721 -0.474 1.00 13.10 C ATOM 436 O GLY A 28 8.288 4.882 -0.321 1.00 62.04 O ATOM 0 H GLY A 28 8.286 0.617 -0.113 1.00 32.51 H new ATOM 0 HA2 GLY A 28 7.509 3.023 1.194 1.00 55.24 H new ATOM 0 HA3 GLY A 28 9.115 2.329 1.097 1.00 55.24 H new ATOM 440 N SER A 29 9.443 3.343 -1.489 1.00 34.12 N ATOM 441 CA SER A 29 9.886 4.289 -2.525 1.00 73.43 C ATOM 442 C SER A 29 8.687 4.866 -3.296 1.00 31.50 C ATOM 443 O SER A 29 8.699 6.026 -3.715 1.00 32.31 O ATOM 444 CB SER A 29 10.856 3.604 -3.496 1.00 21.31 C ATOM 445 OG SER A 29 11.344 4.513 -4.470 1.00 14.20 O ATOM 0 H SER A 29 9.781 2.389 -1.620 1.00 34.12 H new ATOM 0 HA SER A 29 10.402 5.111 -2.030 1.00 73.43 H new ATOM 0 HB2 SER A 29 11.693 3.182 -2.939 1.00 21.31 H new ATOM 0 HB3 SER A 29 10.352 2.774 -3.991 1.00 21.31 H new ATOM 0 HG SER A 29 12.075 4.095 -4.970 1.00 14.20 H new ATOM 451 N ASP A 30 7.649 4.048 -3.471 1.00 12.03 N ATOM 452 CA ASP A 30 6.404 4.495 -4.103 1.00 31.30 C ATOM 453 C ASP A 30 5.748 5.598 -3.254 1.00 55.03 C ATOM 454 O ASP A 30 5.367 6.656 -3.766 1.00 61.31 O ATOM 455 CB ASP A 30 5.450 3.302 -4.265 1.00 65.42 C ATOM 456 CG ASP A 30 4.294 3.595 -5.207 1.00 32.13 C ATOM 457 OD1 ASP A 30 3.255 4.104 -4.748 1.00 41.42 O ATOM 458 OD2 ASP A 30 4.427 3.307 -6.420 1.00 10.34 O ATOM 0 H ASP A 30 7.644 3.069 -3.184 1.00 12.03 H new ATOM 0 HA ASP A 30 6.627 4.905 -5.088 1.00 31.30 H new ATOM 0 HB2 ASP A 30 6.009 2.444 -4.639 1.00 65.42 H new ATOM 0 HB3 ASP A 30 5.055 3.024 -3.288 1.00 65.42 H new ATOM 463 N LEU A 31 5.656 5.347 -1.945 1.00 33.55 N ATOM 464 CA LEU A 31 5.092 6.314 -0.997 1.00 24.34 C ATOM 465 C LEU A 31 5.827 7.665 -1.062 1.00 41.12 C ATOM 466 O LEU A 31 5.193 8.719 -1.089 1.00 74.42 O ATOM 467 CB LEU A 31 5.147 5.745 0.431 1.00 24.30 C ATOM 468 CG LEU A 31 4.523 6.633 1.527 1.00 73.31 C ATOM 469 CD1 LEU A 31 3.043 6.887 1.248 1.00 63.33 C ATOM 470 CD2 LEU A 31 4.711 6.000 2.905 1.00 4.52 C ATOM 0 H LEU A 31 5.967 4.476 -1.515 1.00 33.55 H new ATOM 0 HA LEU A 31 4.053 6.489 -1.275 1.00 24.34 H new ATOM 0 HB2 LEU A 31 4.640 4.780 0.438 1.00 24.30 H new ATOM 0 HB3 LEU A 31 6.190 5.559 0.689 1.00 24.30 H new ATOM 0 HG LEU A 31 5.038 7.594 1.517 1.00 73.31 H new ATOM 0 HD11 LEU A 31 2.627 7.515 2.035 1.00 63.33 H new ATOM 0 HD12 LEU A 31 2.935 7.390 0.287 1.00 63.33 H new ATOM 0 HD13 LEU A 31 2.509 5.937 1.222 1.00 63.33 H new ATOM 0 HD21 LEU A 31 4.264 6.642 3.664 1.00 4.52 H new ATOM 0 HD22 LEU A 31 4.228 5.023 2.926 1.00 4.52 H new ATOM 0 HD23 LEU A 31 5.775 5.883 3.110 1.00 4.52 H new ATOM 482 N GLU A 32 7.165 7.624 -1.096 1.00 63.14 N ATOM 483 CA GLU A 32 7.980 8.846 -1.226 1.00 64.34 C ATOM 484 C GLU A 32 7.518 9.704 -2.409 1.00 55.13 C ATOM 485 O GLU A 32 7.306 10.913 -2.280 1.00 43.40 O ATOM 486 CB GLU A 32 9.463 8.496 -1.423 1.00 22.44 C ATOM 487 CG GLU A 32 10.098 7.756 -0.254 1.00 21.11 C ATOM 488 CD GLU A 32 11.600 7.578 -0.426 1.00 61.44 C ATOM 489 OE1 GLU A 32 12.356 8.522 -0.097 1.00 24.22 O ATOM 490 OE2 GLU A 32 12.032 6.507 -0.900 1.00 43.50 O ATOM 0 H GLU A 32 7.708 6.763 -1.036 1.00 63.14 H new ATOM 0 HA GLU A 32 7.854 9.411 -0.302 1.00 64.34 H new ATOM 0 HB2 GLU A 32 9.563 7.885 -2.320 1.00 22.44 H new ATOM 0 HB3 GLU A 32 10.020 9.416 -1.600 1.00 22.44 H new ATOM 0 HG2 GLU A 32 9.903 8.304 0.668 1.00 21.11 H new ATOM 0 HG3 GLU A 32 9.629 6.778 -0.149 1.00 21.11 H new ATOM 497 N ARG A 33 7.365 9.059 -3.561 1.00 71.24 N ATOM 498 CA ARG A 33 6.951 9.738 -4.790 1.00 10.21 C ATOM 499 C ARG A 33 5.535 10.317 -4.661 1.00 43.01 C ATOM 500 O ARG A 33 5.286 11.462 -5.038 1.00 4.31 O ATOM 501 CB ARG A 33 7.029 8.758 -5.971 1.00 42.41 C ATOM 502 CG ARG A 33 8.429 8.183 -6.183 1.00 52.11 C ATOM 503 CD ARG A 33 8.468 7.144 -7.298 1.00 23.12 C ATOM 504 NE ARG A 33 9.818 6.603 -7.478 1.00 54.54 N ATOM 505 CZ ARG A 33 10.166 5.376 -7.192 1.00 62.02 C ATOM 506 NH1 ARG A 33 9.294 4.519 -6.774 1.00 61.55 N ATOM 507 NH2 ARG A 33 11.393 5.007 -7.350 1.00 2.04 N ATOM 0 H ARG A 33 7.523 8.057 -3.672 1.00 71.24 H new ATOM 0 HA ARG A 33 7.629 10.572 -4.969 1.00 10.21 H new ATOM 0 HB2 ARG A 33 6.329 7.940 -5.803 1.00 42.41 H new ATOM 0 HB3 ARG A 33 6.711 9.268 -6.880 1.00 42.41 H new ATOM 0 HG2 ARG A 33 9.119 8.993 -6.420 1.00 52.11 H new ATOM 0 HG3 ARG A 33 8.777 7.729 -5.255 1.00 52.11 H new ATOM 0 HD2 ARG A 33 7.777 6.333 -7.066 1.00 23.12 H new ATOM 0 HD3 ARG A 33 8.128 7.595 -8.230 1.00 23.12 H new ATOM 0 HE ARG A 33 10.534 7.226 -7.852 1.00 54.54 H new ATOM 0 HH11 ARG A 33 8.319 4.796 -6.663 1.00 61.55 H new ATOM 0 HH12 ARG A 33 9.581 3.565 -6.555 1.00 61.55 H new ATOM 0 HH21 ARG A 33 12.085 5.672 -7.696 1.00 2.04 H new ATOM 0 HH22 ARG A 33 11.671 4.051 -7.128 1.00 2.04 H new ATOM 521 N VAL A 34 4.613 9.531 -4.110 1.00 15.15 N ATOM 522 CA VAL A 34 3.225 9.976 -3.922 1.00 11.51 C ATOM 523 C VAL A 34 3.133 11.186 -2.969 1.00 51.01 C ATOM 524 O VAL A 34 2.426 12.158 -3.250 1.00 42.23 O ATOM 525 CB VAL A 34 2.334 8.818 -3.399 1.00 62.10 C ATOM 526 CG1 VAL A 34 0.905 9.297 -3.125 1.00 51.20 C ATOM 527 CG2 VAL A 34 2.334 7.660 -4.399 1.00 32.42 C ATOM 0 H VAL A 34 4.797 8.582 -3.784 1.00 15.15 H new ATOM 0 HA VAL A 34 2.858 10.289 -4.899 1.00 11.51 H new ATOM 0 HB VAL A 34 2.751 8.467 -2.455 1.00 62.10 H new ATOM 0 HG11 VAL A 34 0.305 8.463 -2.760 1.00 51.20 H new ATOM 0 HG12 VAL A 34 0.924 10.087 -2.374 1.00 51.20 H new ATOM 0 HG13 VAL A 34 0.468 9.682 -4.046 1.00 51.20 H new ATOM 0 HG21 VAL A 34 1.706 6.853 -4.022 1.00 32.42 H new ATOM 0 HG22 VAL A 34 1.944 8.006 -5.356 1.00 32.42 H new ATOM 0 HG23 VAL A 34 3.352 7.295 -4.533 1.00 32.42 H new ATOM 537 N ILE A 35 3.848 11.130 -1.850 1.00 21.52 N ATOM 538 CA ILE A 35 3.888 12.252 -0.902 1.00 23.23 C ATOM 539 C ILE A 35 4.465 13.518 -1.560 1.00 14.41 C ATOM 540 O ILE A 35 3.831 14.575 -1.560 1.00 52.33 O ATOM 541 CB ILE A 35 4.730 11.901 0.354 1.00 21.32 C ATOM 542 CG1 ILE A 35 4.118 10.702 1.100 1.00 15.52 C ATOM 543 CG2 ILE A 35 4.847 13.109 1.284 1.00 30.12 C ATOM 544 CD1 ILE A 35 4.913 10.268 2.317 1.00 1.25 C ATOM 0 H ILE A 35 4.408 10.324 -1.572 1.00 21.52 H new ATOM 0 HA ILE A 35 2.859 12.445 -0.597 1.00 23.23 H new ATOM 0 HB ILE A 35 5.732 11.626 0.025 1.00 21.32 H new ATOM 0 HG12 ILE A 35 3.105 10.958 1.411 1.00 15.52 H new ATOM 0 HG13 ILE A 35 4.037 9.861 0.412 1.00 15.52 H new ATOM 0 HG21 ILE A 35 5.441 12.840 2.157 1.00 30.12 H new ATOM 0 HG22 ILE A 35 5.331 13.930 0.755 1.00 30.12 H new ATOM 0 HG23 ILE A 35 3.852 13.420 1.604 1.00 30.12 H new ATOM 0 HD11 ILE A 35 4.420 9.419 2.790 1.00 1.25 H new ATOM 0 HD12 ILE A 35 5.918 9.979 2.011 1.00 1.25 H new ATOM 0 HD13 ILE A 35 4.973 11.094 3.026 1.00 1.25 H new ATOM 556 N SER A 36 5.654 13.390 -2.146 1.00 43.04 N ATOM 557 CA SER A 36 6.367 14.534 -2.743 1.00 4.03 C ATOM 558 C SER A 36 5.607 15.172 -3.922 1.00 32.35 C ATOM 559 O SER A 36 5.860 16.325 -4.271 1.00 54.51 O ATOM 560 CB SER A 36 7.761 14.099 -3.219 1.00 12.15 C ATOM 561 OG SER A 36 8.463 15.165 -3.850 1.00 12.40 O ATOM 0 H SER A 36 6.152 12.503 -2.224 1.00 43.04 H new ATOM 0 HA SER A 36 6.448 15.288 -1.960 1.00 4.03 H new ATOM 0 HB2 SER A 36 8.339 13.737 -2.368 1.00 12.15 H new ATOM 0 HB3 SER A 36 7.663 13.266 -3.915 1.00 12.15 H new ATOM 0 HG SER A 36 9.345 14.851 -4.138 1.00 12.40 H new ATOM 567 N THR A 37 4.702 14.419 -4.546 1.00 21.42 N ATOM 568 CA THR A 37 3.960 14.911 -5.723 1.00 44.11 C ATOM 569 C THR A 37 2.545 15.408 -5.379 1.00 3.34 C ATOM 570 O THR A 37 2.010 16.287 -6.058 1.00 51.14 O ATOM 571 CB THR A 37 3.840 13.817 -6.813 1.00 52.34 C ATOM 572 OG1 THR A 37 3.194 12.653 -6.272 1.00 75.32 O ATOM 573 CG2 THR A 37 5.212 13.435 -7.368 1.00 71.04 C ATOM 0 H THR A 37 4.460 13.469 -4.263 1.00 21.42 H new ATOM 0 HA THR A 37 4.541 15.754 -6.096 1.00 44.11 H new ATOM 0 HB THR A 37 3.241 14.220 -7.630 1.00 52.34 H new ATOM 0 HG1 THR A 37 3.810 12.188 -5.669 1.00 75.32 H new ATOM 0 HG21 THR A 37 5.094 12.665 -8.131 1.00 71.04 H new ATOM 0 HG22 THR A 37 5.684 14.313 -7.808 1.00 71.04 H new ATOM 0 HG23 THR A 37 5.838 13.054 -6.561 1.00 71.04 H new ATOM 581 N HIS A 38 1.930 14.845 -4.337 1.00 62.02 N ATOM 582 CA HIS A 38 0.548 15.205 -3.972 1.00 24.45 C ATOM 583 C HIS A 38 0.482 16.200 -2.796 1.00 33.10 C ATOM 584 O HIS A 38 -0.430 17.027 -2.727 1.00 75.14 O ATOM 585 CB HIS A 38 -0.260 13.945 -3.634 1.00 33.53 C ATOM 586 CG HIS A 38 -0.441 13.009 -4.796 1.00 0.44 C ATOM 587 ND1 HIS A 38 0.379 12.064 -5.316 1.00 62.05 N flip ATOM 588 CD2 HIS A 38 -1.591 12.963 -5.559 1.00 11.04 C flip ATOM 589 CE1 HIS A 38 -0.287 11.473 -6.358 1.00 21.43 C flip ATOM 590 NE2 HIS A 38 -1.469 12.032 -6.484 1.00 74.30 N flip ATOM 0 H HIS A 38 2.358 14.144 -3.732 1.00 62.02 H new ATOM 0 HA HIS A 38 0.113 15.701 -4.840 1.00 24.45 H new ATOM 0 HB2 HIS A 38 0.238 13.412 -2.824 1.00 33.53 H new ATOM 0 HB3 HIS A 38 -1.241 14.243 -3.263 1.00 33.53 H new ATOM 0 HD1 HIS A 38 1.319 11.835 -4.992 1.00 62.05 H new ATOM 0 HD2 HIS A 38 -2.457 13.593 -5.419 1.00 11.04 H new ATOM 0 HE1 HIS A 38 0.098 10.676 -6.976 1.00 21.43 H new ATOM 599 N THR A 39 1.438 16.124 -1.872 1.00 53.32 N ATOM 600 CA THR A 39 1.438 17.006 -0.688 1.00 40.45 C ATOM 601 C THR A 39 2.684 17.899 -0.639 1.00 35.34 C ATOM 602 O THR A 39 3.572 17.801 -1.482 1.00 60.10 O ATOM 603 CB THR A 39 1.357 16.208 0.639 1.00 13.24 C ATOM 604 OG1 THR A 39 2.503 15.360 0.790 1.00 44.32 O ATOM 605 CG2 THR A 39 0.081 15.374 0.708 1.00 61.21 C ATOM 0 H THR A 39 2.219 15.470 -1.912 1.00 53.32 H new ATOM 0 HA THR A 39 0.548 17.627 -0.789 1.00 40.45 H new ATOM 0 HB THR A 39 1.339 16.930 1.456 1.00 13.24 H new ATOM 0 HG1 THR A 39 2.886 15.168 -0.091 1.00 44.32 H new ATOM 0 HG21 THR A 39 0.055 14.827 1.650 1.00 61.21 H new ATOM 0 HG22 THR A 39 -0.787 16.031 0.645 1.00 61.21 H new ATOM 0 HG23 THR A 39 0.062 14.668 -0.122 1.00 61.21 H new ATOM 613 N ARG A 40 2.743 18.771 0.369 1.00 41.32 N ATOM 614 CA ARG A 40 3.882 19.678 0.550 1.00 32.45 C ATOM 615 C ARG A 40 4.926 19.076 1.517 1.00 30.11 C ATOM 616 O ARG A 40 5.933 19.709 1.845 1.00 55.20 O ATOM 617 CB ARG A 40 3.374 21.038 1.068 1.00 44.23 C ATOM 618 CG ARG A 40 4.432 22.143 1.140 1.00 23.35 C ATOM 619 CD ARG A 40 5.083 22.418 -0.214 1.00 34.12 C ATOM 620 NE ARG A 40 5.918 23.621 -0.182 1.00 73.00 N ATOM 621 CZ ARG A 40 7.048 23.760 -0.822 1.00 53.13 C ATOM 622 NH1 ARG A 40 7.543 22.778 -1.509 1.00 11.43 N ATOM 623 NH2 ARG A 40 7.689 24.881 -0.763 1.00 14.12 N ATOM 0 H ARG A 40 2.014 18.870 1.075 1.00 41.32 H new ATOM 0 HA ARG A 40 4.375 19.822 -0.411 1.00 32.45 H new ATOM 0 HB2 ARG A 40 2.563 21.375 0.423 1.00 44.23 H new ATOM 0 HB3 ARG A 40 2.952 20.896 2.063 1.00 44.23 H new ATOM 0 HG2 ARG A 40 3.972 23.059 1.511 1.00 23.35 H new ATOM 0 HG3 ARG A 40 5.201 21.859 1.858 1.00 23.35 H new ATOM 0 HD2 ARG A 40 5.691 21.561 -0.506 1.00 34.12 H new ATOM 0 HD3 ARG A 40 4.309 22.533 -0.973 1.00 34.12 H new ATOM 0 HE ARG A 40 5.593 24.407 0.381 1.00 73.00 H new ATOM 0 HH11 ARG A 40 7.049 21.887 -1.553 1.00 11.43 H new ATOM 0 HH12 ARG A 40 8.426 22.897 -2.005 1.00 11.43 H new ATOM 0 HH21 ARG A 40 7.312 25.656 -0.217 1.00 14.12 H new ATOM 0 HH22 ARG A 40 8.572 24.991 -1.262 1.00 14.12 H new ATOM 637 N ALA A 41 4.685 17.841 1.964 1.00 50.14 N ATOM 638 CA ALA A 41 5.603 17.159 2.879 1.00 12.41 C ATOM 639 C ALA A 41 6.881 16.707 2.155 1.00 55.14 C ATOM 640 O ALA A 41 6.898 15.682 1.471 1.00 60.02 O ATOM 641 CB ALA A 41 4.911 15.972 3.543 1.00 60.40 C ATOM 0 H ALA A 41 3.863 17.294 1.708 1.00 50.14 H new ATOM 0 HA ALA A 41 5.894 17.869 3.653 1.00 12.41 H new ATOM 0 HB1 ALA A 41 5.607 15.477 4.220 1.00 60.40 H new ATOM 0 HB2 ALA A 41 4.046 16.323 4.106 1.00 60.40 H new ATOM 0 HB3 ALA A 41 4.584 15.267 2.779 1.00 60.40 H new ATOM 647 N LYS A 42 7.940 17.497 2.292 1.00 32.12 N ATOM 648 CA LYS A 42 9.228 17.191 1.670 1.00 52.10 C ATOM 649 C LYS A 42 9.864 15.948 2.319 1.00 14.15 C ATOM 650 O LYS A 42 10.212 15.957 3.504 1.00 42.42 O ATOM 651 CB LYS A 42 10.171 18.400 1.800 1.00 1.10 C ATOM 652 CG LYS A 42 11.270 18.455 0.744 1.00 44.51 C ATOM 653 CD LYS A 42 10.695 18.714 -0.648 1.00 53.50 C ATOM 654 CE LYS A 42 11.785 18.910 -1.695 1.00 35.42 C ATOM 655 NZ LYS A 42 12.618 17.693 -1.872 1.00 24.24 N ATOM 0 H LYS A 42 7.933 18.362 2.833 1.00 32.12 H new ATOM 0 HA LYS A 42 9.063 16.978 0.614 1.00 52.10 H new ATOM 0 HB2 LYS A 42 9.581 19.314 1.741 1.00 1.10 H new ATOM 0 HB3 LYS A 42 10.633 18.382 2.787 1.00 1.10 H new ATOM 0 HG2 LYS A 42 11.981 19.241 0.998 1.00 44.51 H new ATOM 0 HG3 LYS A 42 11.822 17.515 0.742 1.00 44.51 H new ATOM 0 HD2 LYS A 42 10.061 17.876 -0.939 1.00 53.50 H new ATOM 0 HD3 LYS A 42 10.060 19.599 -0.618 1.00 53.50 H new ATOM 0 HE2 LYS A 42 11.328 19.177 -2.648 1.00 35.42 H new ATOM 0 HE3 LYS A 42 12.422 19.745 -1.402 1.00 35.42 H new ATOM 0 HZ1 LYS A 42 13.313 17.855 -2.629 1.00 24.24 H new ATOM 0 HZ2 LYS A 42 13.116 17.481 -0.984 1.00 24.24 H new ATOM 0 HZ3 LYS A 42 12.009 16.890 -2.128 1.00 24.24 H new ATOM 669 N VAL A 43 9.998 14.876 1.542 1.00 60.11 N ATOM 670 CA VAL A 43 10.594 13.633 2.039 1.00 54.11 C ATOM 671 C VAL A 43 12.116 13.769 2.213 1.00 32.02 C ATOM 672 O VAL A 43 12.868 13.805 1.232 1.00 32.35 O ATOM 673 CB VAL A 43 10.291 12.447 1.088 1.00 33.34 C ATOM 674 CG1 VAL A 43 10.877 11.145 1.638 1.00 1.42 C ATOM 675 CG2 VAL A 43 8.785 12.310 0.858 1.00 71.24 C ATOM 0 H VAL A 43 9.703 14.840 0.566 1.00 60.11 H new ATOM 0 HA VAL A 43 10.145 13.434 3.012 1.00 54.11 H new ATOM 0 HB VAL A 43 10.765 12.652 0.128 1.00 33.34 H new ATOM 0 HG11 VAL A 43 10.652 10.327 0.954 1.00 1.42 H new ATOM 0 HG12 VAL A 43 11.958 11.246 1.739 1.00 1.42 H new ATOM 0 HG13 VAL A 43 10.440 10.933 2.614 1.00 1.42 H new ATOM 0 HG21 VAL A 43 8.594 11.472 0.188 1.00 71.24 H new ATOM 0 HG22 VAL A 43 8.286 12.134 1.811 1.00 71.24 H new ATOM 0 HG23 VAL A 43 8.400 13.227 0.411 1.00 71.24 H new ATOM 685 N VAL A 44 12.562 13.863 3.463 1.00 11.41 N ATOM 686 CA VAL A 44 13.994 13.949 3.772 1.00 4.11 C ATOM 687 C VAL A 44 14.589 12.555 4.037 1.00 12.44 C ATOM 688 O VAL A 44 13.915 11.666 4.562 1.00 44.15 O ATOM 689 CB VAL A 44 14.263 14.872 4.991 1.00 73.41 C ATOM 690 CG1 VAL A 44 13.785 16.299 4.709 1.00 41.20 C ATOM 691 CG2 VAL A 44 13.604 14.321 6.256 1.00 22.53 C ATOM 0 H VAL A 44 11.955 13.882 4.282 1.00 11.41 H new ATOM 0 HA VAL A 44 14.481 14.382 2.898 1.00 4.11 H new ATOM 0 HB VAL A 44 15.340 14.899 5.158 1.00 73.41 H new ATOM 0 HG11 VAL A 44 13.984 16.928 5.577 1.00 41.20 H new ATOM 0 HG12 VAL A 44 14.316 16.696 3.844 1.00 41.20 H new ATOM 0 HG13 VAL A 44 12.714 16.290 4.505 1.00 41.20 H new ATOM 0 HG21 VAL A 44 13.809 14.988 7.093 1.00 22.53 H new ATOM 0 HG22 VAL A 44 12.527 14.250 6.104 1.00 22.53 H new ATOM 0 HG23 VAL A 44 14.005 13.331 6.474 1.00 22.53 H new ATOM 701 N ASN A 45 15.856 12.368 3.671 1.00 11.42 N ATOM 702 CA ASN A 45 16.525 11.072 3.834 1.00 0.04 C ATOM 703 C ASN A 45 17.253 10.980 5.192 1.00 43.23 C ATOM 704 O ASN A 45 18.012 10.042 5.446 1.00 43.44 O ATOM 705 CB ASN A 45 17.495 10.846 2.663 1.00 50.40 C ATOM 706 CG ASN A 45 17.984 9.412 2.569 1.00 41.52 C ATOM 707 OD1 ASN A 45 19.063 9.071 3.042 1.00 4.43 O ATOM 708 ND2 ASN A 45 17.184 8.553 1.968 1.00 55.22 N ATOM 0 H ASN A 45 16.442 13.095 3.260 1.00 11.42 H new ATOM 0 HA ASN A 45 15.772 10.284 3.826 1.00 0.04 H new ATOM 0 HB2 ASN A 45 17.000 11.118 1.730 1.00 50.40 H new ATOM 0 HB3 ASN A 45 18.352 11.510 2.774 1.00 50.40 H new ATOM 0 HD21 ASN A 45 17.456 7.573 1.886 1.00 55.22 H new ATOM 0 HD22 ASN A 45 16.293 8.868 1.585 1.00 55.22 H new ATOM 715 N LYS A 46 17.004 11.955 6.067 1.00 73.44 N ATOM 716 CA LYS A 46 17.552 11.940 7.432 1.00 21.21 C ATOM 717 C LYS A 46 16.614 12.670 8.418 1.00 52.53 C ATOM 718 O LYS A 46 16.130 13.770 8.140 1.00 41.13 O ATOM 719 CB LYS A 46 18.971 12.544 7.476 1.00 12.42 C ATOM 720 CG LYS A 46 19.071 14.015 7.066 1.00 14.30 C ATOM 721 CD LYS A 46 18.922 14.223 5.560 1.00 73.30 C ATOM 722 CE LYS A 46 19.139 15.683 5.163 1.00 30.33 C ATOM 723 NZ LYS A 46 20.500 16.167 5.525 1.00 12.12 N ATOM 0 H LYS A 46 16.425 12.769 5.858 1.00 73.44 H new ATOM 0 HA LYS A 46 17.624 10.898 7.743 1.00 21.21 H new ATOM 0 HB2 LYS A 46 19.361 12.439 8.488 1.00 12.42 H new ATOM 0 HB3 LYS A 46 19.618 11.958 6.823 1.00 12.42 H new ATOM 0 HG2 LYS A 46 18.300 14.585 7.585 1.00 14.30 H new ATOM 0 HG3 LYS A 46 20.033 14.413 7.389 1.00 14.30 H new ATOM 0 HD2 LYS A 46 19.639 13.593 5.034 1.00 73.30 H new ATOM 0 HD3 LYS A 46 17.928 13.905 5.246 1.00 73.30 H new ATOM 0 HE2 LYS A 46 18.990 15.792 4.089 1.00 30.33 H new ATOM 0 HE3 LYS A 46 18.391 16.306 5.653 1.00 30.33 H new ATOM 0 HZ1 LYS A 46 20.771 16.946 4.891 1.00 12.12 H new ATOM 0 HZ2 LYS A 46 20.498 16.505 6.508 1.00 12.12 H new ATOM 0 HZ3 LYS A 46 21.183 15.388 5.428 1.00 12.12 H new ATOM 737 N ALA A 47 16.386 12.059 9.580 1.00 43.23 N ATOM 738 CA ALA A 47 15.388 12.537 10.555 1.00 14.31 C ATOM 739 C ALA A 47 15.848 13.767 11.367 1.00 32.34 C ATOM 740 O ALA A 47 15.266 14.082 12.406 1.00 44.22 O ATOM 741 CB ALA A 47 15.019 11.397 11.500 1.00 40.12 C ATOM 0 H ALA A 47 16.883 11.220 9.878 1.00 43.23 H new ATOM 0 HA ALA A 47 14.520 12.862 9.982 1.00 14.31 H new ATOM 0 HB1 ALA A 47 14.281 11.747 12.222 1.00 40.12 H new ATOM 0 HB2 ALA A 47 14.601 10.570 10.926 1.00 40.12 H new ATOM 0 HB3 ALA A 47 15.911 11.059 12.028 1.00 40.12 H new ATOM 747 N GLU A 48 16.862 14.480 10.885 1.00 21.15 N ATOM 748 CA GLU A 48 17.395 15.648 11.605 1.00 64.23 C ATOM 749 C GLU A 48 16.404 16.830 11.606 1.00 71.14 C ATOM 750 O GLU A 48 16.490 17.723 12.451 1.00 12.04 O ATOM 751 CB GLU A 48 18.728 16.096 10.989 1.00 42.34 C ATOM 752 CG GLU A 48 18.606 16.591 9.552 1.00 23.43 C ATOM 753 CD GLU A 48 19.894 17.200 9.024 1.00 42.11 C ATOM 754 OE1 GLU A 48 20.159 18.383 9.322 1.00 1.32 O ATOM 755 OE2 GLU A 48 20.633 16.511 8.297 1.00 12.43 O ATOM 0 H GLU A 48 17.334 14.276 10.004 1.00 21.15 H new ATOM 0 HA GLU A 48 17.553 15.341 12.639 1.00 64.23 H new ATOM 0 HB2 GLU A 48 19.152 16.891 11.602 1.00 42.34 H new ATOM 0 HB3 GLU A 48 19.429 15.262 11.018 1.00 42.34 H new ATOM 0 HG2 GLU A 48 18.314 15.760 8.910 1.00 23.43 H new ATOM 0 HG3 GLU A 48 17.809 17.333 9.495 1.00 23.43 H new ATOM 762 N LYS A 49 15.476 16.843 10.647 1.00 50.51 N ATOM 763 CA LYS A 49 14.495 17.940 10.524 1.00 60.23 C ATOM 764 C LYS A 49 13.061 17.414 10.339 1.00 14.51 C ATOM 765 O LYS A 49 12.157 18.169 9.981 1.00 63.43 O ATOM 766 CB LYS A 49 14.853 18.842 9.331 1.00 42.13 C ATOM 767 CG LYS A 49 16.249 19.450 9.400 1.00 73.01 C ATOM 768 CD LYS A 49 16.566 20.276 8.156 1.00 53.02 C ATOM 769 CE LYS A 49 15.672 21.504 8.037 1.00 21.24 C ATOM 770 NZ LYS A 49 15.897 22.468 9.144 1.00 4.21 N ATOM 0 H LYS A 49 15.378 16.112 9.943 1.00 50.51 H new ATOM 0 HA LYS A 49 14.535 18.509 11.453 1.00 60.23 H new ATOM 0 HB2 LYS A 49 14.768 18.261 8.413 1.00 42.13 H new ATOM 0 HB3 LYS A 49 14.121 19.648 9.267 1.00 42.13 H new ATOM 0 HG2 LYS A 49 16.328 20.080 10.286 1.00 73.01 H new ATOM 0 HG3 LYS A 49 16.987 18.655 9.507 1.00 73.01 H new ATOM 0 HD2 LYS A 49 17.609 20.590 8.187 1.00 53.02 H new ATOM 0 HD3 LYS A 49 16.446 19.654 7.269 1.00 53.02 H new ATOM 0 HE2 LYS A 49 15.860 21.997 7.083 1.00 21.24 H new ATOM 0 HE3 LYS A 49 14.627 21.193 8.035 1.00 21.24 H new ATOM 0 HZ1 LYS A 49 15.399 23.357 8.937 1.00 4.21 H new ATOM 0 HZ2 LYS A 49 15.535 22.067 10.033 1.00 4.21 H new ATOM 0 HZ3 LYS A 49 16.915 22.656 9.239 1.00 4.21 H new ATOM 784 N SER A 50 12.850 16.131 10.600 1.00 70.41 N ATOM 785 CA SER A 50 11.550 15.496 10.340 1.00 11.11 C ATOM 786 C SER A 50 10.591 15.631 11.529 1.00 74.44 C ATOM 787 O SER A 50 10.897 15.195 12.637 1.00 21.31 O ATOM 788 CB SER A 50 11.747 14.012 10.013 1.00 12.12 C ATOM 789 OG SER A 50 12.362 13.323 11.088 1.00 33.22 O ATOM 0 H SER A 50 13.555 15.505 10.990 1.00 70.41 H new ATOM 0 HA SER A 50 11.104 16.012 9.490 1.00 11.11 H new ATOM 0 HB2 SER A 50 10.782 13.556 9.791 1.00 12.12 H new ATOM 0 HB3 SER A 50 12.360 13.913 9.117 1.00 12.12 H new ATOM 0 HG SER A 50 12.167 13.788 11.929 1.00 33.22 H new ATOM 795 N GLU A 51 9.421 16.221 11.285 1.00 50.35 N ATOM 796 CA GLU A 51 8.377 16.339 12.317 1.00 12.11 C ATOM 797 C GLU A 51 7.728 14.975 12.613 1.00 41.31 C ATOM 798 O GLU A 51 7.055 14.804 13.629 1.00 13.41 O ATOM 799 CB GLU A 51 7.295 17.334 11.870 1.00 43.41 C ATOM 800 CG GLU A 51 7.790 18.768 11.695 1.00 72.43 C ATOM 801 CD GLU A 51 8.200 19.421 13.008 1.00 32.24 C ATOM 802 OE1 GLU A 51 7.310 19.900 13.746 1.00 32.12 O ATOM 803 OE2 GLU A 51 9.413 19.475 13.301 1.00 25.10 O ATOM 0 H GLU A 51 9.167 16.626 10.384 1.00 50.35 H new ATOM 0 HA GLU A 51 8.852 16.702 13.228 1.00 12.11 H new ATOM 0 HB2 GLU A 51 6.871 16.991 10.926 1.00 43.41 H new ATOM 0 HB3 GLU A 51 6.488 17.328 12.603 1.00 43.41 H new ATOM 0 HG2 GLU A 51 8.640 18.772 11.013 1.00 72.43 H new ATOM 0 HG3 GLU A 51 7.005 19.363 11.229 1.00 72.43 H new ATOM 810 N ALA A 52 7.925 14.016 11.711 1.00 44.31 N ATOM 811 CA ALA A 52 7.364 12.671 11.866 1.00 4.14 C ATOM 812 C ALA A 52 8.151 11.638 11.045 1.00 1.40 C ATOM 813 O ALA A 52 8.771 11.973 10.030 1.00 64.44 O ATOM 814 CB ALA A 52 5.892 12.662 11.459 1.00 41.33 C ATOM 0 H ALA A 52 8.472 14.144 10.860 1.00 44.31 H new ATOM 0 HA ALA A 52 7.444 12.393 12.917 1.00 4.14 H new ATOM 0 HB1 ALA A 52 5.487 11.657 11.579 1.00 41.33 H new ATOM 0 HB2 ALA A 52 5.336 13.355 12.090 1.00 41.33 H new ATOM 0 HB3 ALA A 52 5.801 12.968 10.417 1.00 41.33 H new ATOM 820 N ILE A 53 8.124 10.387 11.496 1.00 5.14 N ATOM 821 CA ILE A 53 8.787 9.280 10.799 1.00 24.42 C ATOM 822 C ILE A 53 7.775 8.207 10.364 1.00 44.33 C ATOM 823 O ILE A 53 7.063 7.636 11.190 1.00 25.53 O ATOM 824 CB ILE A 53 9.879 8.619 11.686 1.00 62.53 C ATOM 825 CG1 ILE A 53 11.047 9.592 11.923 1.00 23.34 C ATOM 826 CG2 ILE A 53 10.379 7.313 11.061 1.00 14.32 C ATOM 827 CD1 ILE A 53 12.187 8.998 12.725 1.00 74.33 C ATOM 0 H ILE A 53 7.644 10.109 12.352 1.00 5.14 H new ATOM 0 HA ILE A 53 9.260 9.707 9.914 1.00 24.42 H new ATOM 0 HB ILE A 53 9.431 8.379 12.650 1.00 62.53 H new ATOM 0 HG12 ILE A 53 11.430 9.927 10.959 1.00 23.34 H new ATOM 0 HG13 ILE A 53 10.672 10.475 12.441 1.00 23.34 H new ATOM 0 HG21 ILE A 53 11.142 6.872 11.702 1.00 14.32 H new ATOM 0 HG22 ILE A 53 9.546 6.617 10.956 1.00 14.32 H new ATOM 0 HG23 ILE A 53 10.805 7.519 10.079 1.00 14.32 H new ATOM 0 HD11 ILE A 53 12.972 9.744 12.850 1.00 74.33 H new ATOM 0 HD12 ILE A 53 11.821 8.689 13.704 1.00 74.33 H new ATOM 0 HD13 ILE A 53 12.590 8.133 12.199 1.00 74.33 H new ATOM 839 N ILE A 54 7.724 7.940 9.065 1.00 62.21 N ATOM 840 CA ILE A 54 6.858 6.894 8.517 1.00 25.04 C ATOM 841 C ILE A 54 7.628 5.571 8.383 1.00 73.13 C ATOM 842 O ILE A 54 8.537 5.450 7.556 1.00 53.32 O ATOM 843 CB ILE A 54 6.292 7.306 7.132 1.00 70.21 C ATOM 844 CG1 ILE A 54 5.559 8.657 7.235 1.00 12.33 C ATOM 845 CG2 ILE A 54 5.359 6.222 6.586 1.00 3.03 C ATOM 846 CD1 ILE A 54 5.051 9.188 5.909 1.00 2.31 C ATOM 0 H ILE A 54 8.275 8.435 8.364 1.00 62.21 H new ATOM 0 HA ILE A 54 6.027 6.758 9.209 1.00 25.04 H new ATOM 0 HB ILE A 54 7.124 7.417 6.436 1.00 70.21 H new ATOM 0 HG12 ILE A 54 4.716 8.550 7.918 1.00 12.33 H new ATOM 0 HG13 ILE A 54 6.234 9.392 7.674 1.00 12.33 H new ATOM 0 HG21 ILE A 54 4.973 6.530 5.614 1.00 3.03 H new ATOM 0 HG22 ILE A 54 5.910 5.288 6.478 1.00 3.03 H new ATOM 0 HG23 ILE A 54 4.529 6.075 7.277 1.00 3.03 H new ATOM 0 HD11 ILE A 54 4.547 10.142 6.068 1.00 2.31 H new ATOM 0 HD12 ILE A 54 5.890 9.330 5.228 1.00 2.31 H new ATOM 0 HD13 ILE A 54 4.349 8.475 5.476 1.00 2.31 H new ATOM 858 N GLN A 55 7.271 4.584 9.203 1.00 54.44 N ATOM 859 CA GLN A 55 7.955 3.286 9.192 1.00 20.45 C ATOM 860 C GLN A 55 7.004 2.182 8.703 1.00 25.33 C ATOM 861 O GLN A 55 6.071 1.789 9.409 1.00 10.41 O ATOM 862 CB GLN A 55 8.497 2.963 10.602 1.00 1.22 C ATOM 863 CG GLN A 55 9.614 1.913 10.635 1.00 34.11 C ATOM 864 CD GLN A 55 9.148 0.490 10.356 1.00 50.51 C ATOM 865 OE1 GLN A 55 7.961 0.143 10.812 1.00 64.25 O flip ATOM 866 NE2 GLN A 55 9.870 -0.306 9.765 1.00 11.51 N flip ATOM 0 H GLN A 55 6.514 4.655 9.883 1.00 54.44 H new ATOM 0 HA GLN A 55 8.797 3.335 8.501 1.00 20.45 H new ATOM 0 HB2 GLN A 55 8.869 3.883 11.053 1.00 1.22 H new ATOM 0 HB3 GLN A 55 7.671 2.615 11.223 1.00 1.22 H new ATOM 0 HG2 GLN A 55 10.373 2.184 9.901 1.00 34.11 H new ATOM 0 HG3 GLN A 55 10.093 1.940 11.614 1.00 34.11 H new ATOM 0 HE21 GLN A 55 10.784 -0.009 9.423 1.00 11.51 H new ATOM 0 HE22 GLN A 55 9.556 -1.265 9.615 1.00 11.51 H new ATOM 875 N ILE A 56 7.237 1.699 7.486 1.00 1.51 N ATOM 876 CA ILE A 56 6.436 0.607 6.927 1.00 24.01 C ATOM 877 C ILE A 56 7.011 -0.753 7.370 1.00 20.53 C ATOM 878 O ILE A 56 8.144 -1.106 7.042 1.00 11.04 O ATOM 879 CB ILE A 56 6.339 0.720 5.368 1.00 2.40 C ATOM 880 CG1 ILE A 56 5.355 -0.317 4.765 1.00 71.54 C ATOM 881 CG2 ILE A 56 7.714 0.606 4.716 1.00 63.44 C ATOM 882 CD1 ILE A 56 5.911 -1.722 4.601 1.00 11.40 C ATOM 0 H ILE A 56 7.971 2.043 6.867 1.00 1.51 H new ATOM 0 HA ILE A 56 5.420 0.684 7.314 1.00 24.01 H new ATOM 0 HB ILE A 56 5.940 1.710 5.150 1.00 2.40 H new ATOM 0 HG12 ILE A 56 4.471 -0.366 5.400 1.00 71.54 H new ATOM 0 HG13 ILE A 56 5.027 0.042 3.790 1.00 71.54 H new ATOM 0 HG21 ILE A 56 7.612 0.688 3.634 1.00 63.44 H new ATOM 0 HG22 ILE A 56 8.357 1.406 5.082 1.00 63.44 H new ATOM 0 HG23 ILE A 56 8.156 -0.358 4.966 1.00 63.44 H new ATOM 0 HD11 ILE A 56 5.145 -2.369 4.172 1.00 11.40 H new ATOM 0 HD12 ILE A 56 6.776 -1.696 3.939 1.00 11.40 H new ATOM 0 HD13 ILE A 56 6.211 -2.111 5.574 1.00 11.40 H new ATOM 894 N VAL A 57 6.224 -1.506 8.135 1.00 53.02 N ATOM 895 CA VAL A 57 6.675 -2.781 8.703 1.00 23.11 C ATOM 896 C VAL A 57 6.818 -3.871 7.629 1.00 42.31 C ATOM 897 O VAL A 57 7.921 -4.345 7.351 1.00 53.45 O ATOM 898 CB VAL A 57 5.706 -3.278 9.807 1.00 15.23 C ATOM 899 CG1 VAL A 57 6.199 -4.587 10.423 1.00 33.22 C ATOM 900 CG2 VAL A 57 5.514 -2.207 10.881 1.00 25.23 C ATOM 0 H VAL A 57 5.266 -1.256 8.379 1.00 53.02 H new ATOM 0 HA VAL A 57 7.656 -2.593 9.140 1.00 23.11 H new ATOM 0 HB VAL A 57 4.739 -3.472 9.344 1.00 15.23 H new ATOM 0 HG11 VAL A 57 5.500 -4.912 11.194 1.00 33.22 H new ATOM 0 HG12 VAL A 57 6.266 -5.351 9.648 1.00 33.22 H new ATOM 0 HG13 VAL A 57 7.183 -4.433 10.867 1.00 33.22 H new ATOM 0 HG21 VAL A 57 4.831 -2.577 11.645 1.00 25.23 H new ATOM 0 HG22 VAL A 57 6.476 -1.972 11.337 1.00 25.23 H new ATOM 0 HG23 VAL A 57 5.098 -1.307 10.427 1.00 25.23 H new ATOM 910 N HIS A 58 5.700 -4.266 7.023 1.00 42.11 N ATOM 911 CA HIS A 58 5.705 -5.364 6.052 1.00 40.01 C ATOM 912 C HIS A 58 4.449 -5.333 5.162 1.00 73.01 C ATOM 913 O HIS A 58 3.341 -5.091 5.643 1.00 35.15 O ATOM 914 CB HIS A 58 5.799 -6.709 6.796 1.00 72.11 C ATOM 915 CG HIS A 58 6.140 -7.879 5.919 1.00 72.33 C ATOM 916 ND1 HIS A 58 7.403 -8.431 5.863 1.00 62.33 N ATOM 917 CD2 HIS A 58 5.379 -8.610 5.069 1.00 62.03 C ATOM 918 CE1 HIS A 58 7.402 -9.443 5.019 1.00 2.10 C ATOM 919 NE2 HIS A 58 6.190 -9.572 4.526 1.00 2.40 N ATOM 0 H HIS A 58 4.784 -3.847 7.184 1.00 42.11 H new ATOM 0 HA HIS A 58 6.572 -5.245 5.403 1.00 40.01 H new ATOM 0 HB2 HIS A 58 6.552 -6.625 7.579 1.00 72.11 H new ATOM 0 HB3 HIS A 58 4.847 -6.905 7.289 1.00 72.11 H new ATOM 0 HD2 HIS A 58 4.330 -8.462 4.859 1.00 62.03 H new ATOM 0 HE1 HIS A 58 8.253 -10.062 4.774 1.00 2.10 H new ATOM 0 HE2 HIS A 58 5.900 -10.276 3.847 1.00 2.40 H new ATOM 928 N ALA A 59 4.631 -5.571 3.866 1.00 14.23 N ATOM 929 CA ALA A 59 3.508 -5.636 2.922 1.00 62.25 C ATOM 930 C ALA A 59 3.186 -7.093 2.545 1.00 74.54 C ATOM 931 O ALA A 59 3.962 -7.751 1.851 1.00 23.11 O ATOM 932 CB ALA A 59 3.829 -4.816 1.676 1.00 62.23 C ATOM 0 H ALA A 59 5.545 -5.723 3.440 1.00 14.23 H new ATOM 0 HA ALA A 59 2.626 -5.216 3.404 1.00 62.25 H new ATOM 0 HB1 ALA A 59 2.992 -4.869 0.980 1.00 62.23 H new ATOM 0 HB2 ALA A 59 4.001 -3.777 1.958 1.00 62.23 H new ATOM 0 HB3 ALA A 59 4.724 -5.215 1.198 1.00 62.23 H new ATOM 938 N ILE A 60 2.050 -7.601 3.025 1.00 11.43 N ATOM 939 CA ILE A 60 1.631 -8.981 2.733 1.00 34.40 C ATOM 940 C ILE A 60 0.828 -9.038 1.425 1.00 42.14 C ATOM 941 O ILE A 60 -0.279 -8.513 1.351 1.00 5.25 O ATOM 942 CB ILE A 60 0.773 -9.585 3.884 1.00 44.45 C ATOM 943 CG1 ILE A 60 1.566 -9.645 5.210 1.00 61.30 C ATOM 944 CG2 ILE A 60 0.265 -10.978 3.503 1.00 43.33 C ATOM 945 CD1 ILE A 60 1.790 -8.300 5.873 1.00 22.21 C ATOM 0 H ILE A 60 1.402 -7.082 3.617 1.00 11.43 H new ATOM 0 HA ILE A 60 2.541 -9.573 2.634 1.00 34.40 H new ATOM 0 HB ILE A 60 -0.084 -8.928 4.036 1.00 44.45 H new ATOM 0 HG12 ILE A 60 1.036 -10.295 5.906 1.00 61.30 H new ATOM 0 HG13 ILE A 60 2.535 -10.107 5.018 1.00 61.30 H new ATOM 0 HG21 ILE A 60 -0.332 -11.383 4.320 1.00 43.33 H new ATOM 0 HG22 ILE A 60 -0.348 -10.908 2.605 1.00 43.33 H new ATOM 0 HG23 ILE A 60 1.113 -11.635 3.313 1.00 43.33 H new ATOM 0 HD11 ILE A 60 2.354 -8.438 6.796 1.00 22.21 H new ATOM 0 HD12 ILE A 60 2.350 -7.651 5.200 1.00 22.21 H new ATOM 0 HD13 ILE A 60 0.828 -7.842 6.101 1.00 22.21 H new ATOM 957 N ARG A 61 1.391 -9.675 0.401 1.00 44.01 N ATOM 958 CA ARG A 61 0.761 -9.740 -0.928 1.00 20.31 C ATOM 959 C ARG A 61 0.790 -11.170 -1.496 1.00 44.33 C ATOM 960 O ARG A 61 1.833 -11.632 -1.966 1.00 5.14 O ATOM 961 CB ARG A 61 1.494 -8.787 -1.887 1.00 52.12 C ATOM 962 CG ARG A 61 0.878 -8.694 -3.281 1.00 4.44 C ATOM 963 CD ARG A 61 1.758 -7.879 -4.224 1.00 64.45 C ATOM 964 NE ARG A 61 3.067 -8.506 -4.421 1.00 44.22 N ATOM 965 CZ ARG A 61 4.165 -7.864 -4.722 1.00 13.52 C ATOM 966 NH1 ARG A 61 4.176 -6.573 -4.827 1.00 53.44 N ATOM 967 NH2 ARG A 61 5.262 -8.524 -4.900 1.00 54.44 N ATOM 0 H ARG A 61 2.287 -10.158 0.461 1.00 44.01 H new ATOM 0 HA ARG A 61 -0.282 -9.440 -0.826 1.00 20.31 H new ATOM 0 HB2 ARG A 61 1.513 -7.791 -1.445 1.00 52.12 H new ATOM 0 HB3 ARG A 61 2.530 -9.113 -1.982 1.00 52.12 H new ATOM 0 HG2 ARG A 61 0.738 -9.696 -3.686 1.00 4.44 H new ATOM 0 HG3 ARG A 61 -0.109 -8.236 -3.215 1.00 4.44 H new ATOM 0 HD2 ARG A 61 1.258 -7.771 -5.186 1.00 64.45 H new ATOM 0 HD3 ARG A 61 1.892 -6.875 -3.820 1.00 64.45 H new ATOM 0 HE ARG A 61 3.126 -9.519 -4.315 1.00 44.22 H new ATOM 0 HH11 ARG A 61 3.319 -6.042 -4.674 1.00 53.44 H new ATOM 0 HH12 ARG A 61 5.042 -6.088 -5.063 1.00 53.44 H new ATOM 0 HH21 ARG A 61 5.267 -9.540 -4.805 1.00 54.44 H new ATOM 0 HH22 ARG A 61 6.122 -8.029 -5.135 1.00 54.44 H new ATOM 981 N GLU A 62 -0.349 -11.869 -1.444 1.00 50.53 N ATOM 982 CA GLU A 62 -0.436 -13.254 -1.947 1.00 73.14 C ATOM 983 C GLU A 62 -1.790 -13.540 -2.629 1.00 71.44 C ATOM 984 O GLU A 62 -2.700 -12.709 -2.619 1.00 30.54 O ATOM 985 CB GLU A 62 -0.217 -14.259 -0.800 1.00 53.22 C ATOM 986 CG GLU A 62 1.126 -14.119 -0.088 1.00 15.30 C ATOM 987 CD GLU A 62 1.368 -15.214 0.940 1.00 14.12 C ATOM 988 OE1 GLU A 62 0.515 -15.402 1.832 1.00 15.24 O ATOM 989 OE2 GLU A 62 2.417 -15.890 0.866 1.00 21.22 O ATOM 0 H GLU A 62 -1.222 -11.505 -1.062 1.00 50.53 H new ATOM 0 HA GLU A 62 0.349 -13.371 -2.694 1.00 73.14 H new ATOM 0 HB2 GLU A 62 -1.017 -14.138 -0.069 1.00 53.22 H new ATOM 0 HB3 GLU A 62 -0.300 -15.270 -1.198 1.00 53.22 H new ATOM 0 HG2 GLU A 62 1.927 -14.138 -0.827 1.00 15.30 H new ATOM 0 HG3 GLU A 62 1.170 -13.148 0.405 1.00 15.30 H new ATOM 996 N LYS A 63 -1.908 -14.733 -3.221 1.00 5.34 N ATOM 997 CA LYS A 63 -3.142 -15.162 -3.904 1.00 0.52 C ATOM 998 C LYS A 63 -3.731 -16.426 -3.253 1.00 63.24 C ATOM 999 O LYS A 63 -3.009 -17.203 -2.624 1.00 24.13 O ATOM 1000 CB LYS A 63 -2.852 -15.458 -5.382 1.00 31.00 C ATOM 1001 CG LYS A 63 -2.243 -14.296 -6.157 1.00 52.14 C ATOM 1002 CD LYS A 63 -1.939 -14.694 -7.600 1.00 40.44 C ATOM 1003 CE LYS A 63 -1.332 -13.548 -8.400 1.00 33.01 C ATOM 1004 NZ LYS A 63 -0.938 -13.983 -9.767 1.00 53.54 N ATOM 0 H LYS A 63 -1.160 -15.426 -3.243 1.00 5.34 H new ATOM 0 HA LYS A 63 -3.864 -14.350 -3.818 1.00 0.52 H new ATOM 0 HB2 LYS A 63 -2.176 -16.311 -5.442 1.00 31.00 H new ATOM 0 HB3 LYS A 63 -3.782 -15.754 -5.868 1.00 31.00 H new ATOM 0 HG2 LYS A 63 -2.929 -13.449 -6.147 1.00 52.14 H new ATOM 0 HG3 LYS A 63 -1.326 -13.969 -5.666 1.00 52.14 H new ATOM 0 HD2 LYS A 63 -1.253 -15.541 -7.604 1.00 40.44 H new ATOM 0 HD3 LYS A 63 -2.857 -15.026 -8.084 1.00 40.44 H new ATOM 0 HE2 LYS A 63 -2.051 -12.732 -8.470 1.00 33.01 H new ATOM 0 HE3 LYS A 63 -0.459 -13.160 -7.875 1.00 33.01 H new ATOM 0 HZ1 LYS A 63 -0.529 -13.178 -10.283 1.00 53.54 H new ATOM 0 HZ2 LYS A 63 -0.234 -14.745 -9.699 1.00 53.54 H new ATOM 0 HZ3 LYS A 63 -1.776 -14.330 -10.276 1.00 53.54 H new ATOM 1018 N ARG A 64 -5.041 -16.638 -3.416 1.00 72.21 N ATOM 1019 CA ARG A 64 -5.696 -17.852 -2.901 1.00 2.42 C ATOM 1020 C ARG A 64 -7.078 -18.085 -3.550 1.00 52.10 C ATOM 1021 O ARG A 64 -7.666 -17.175 -4.137 1.00 12.50 O ATOM 1022 CB ARG A 64 -5.835 -17.769 -1.372 1.00 45.33 C ATOM 1023 CG ARG A 64 -6.741 -16.639 -0.889 1.00 21.15 C ATOM 1024 CD ARG A 64 -6.729 -16.523 0.634 1.00 51.44 C ATOM 1025 NE ARG A 64 -7.782 -15.638 1.130 1.00 62.04 N ATOM 1026 CZ ARG A 64 -8.109 -15.510 2.389 1.00 62.03 C ATOM 1027 NH1 ARG A 64 -7.454 -16.132 3.319 1.00 32.12 N ATOM 1028 NH2 ARG A 64 -9.090 -14.741 2.717 1.00 21.13 N ATOM 0 H ARG A 64 -5.667 -15.992 -3.896 1.00 72.21 H new ATOM 0 HA ARG A 64 -5.065 -18.701 -3.163 1.00 2.42 H new ATOM 0 HB2 ARG A 64 -6.225 -18.717 -1.001 1.00 45.33 H new ATOM 0 HB3 ARG A 64 -4.845 -17.639 -0.934 1.00 45.33 H new ATOM 0 HG2 ARG A 64 -6.415 -15.697 -1.329 1.00 21.15 H new ATOM 0 HG3 ARG A 64 -7.760 -16.816 -1.233 1.00 21.15 H new ATOM 0 HD2 ARG A 64 -6.853 -17.513 1.073 1.00 51.44 H new ATOM 0 HD3 ARG A 64 -5.759 -16.149 0.960 1.00 51.44 H new ATOM 0 HE ARG A 64 -8.297 -15.082 0.447 1.00 62.04 H new ATOM 0 HH11 ARG A 64 -6.668 -16.734 3.074 1.00 32.12 H new ATOM 0 HH12 ARG A 64 -7.725 -16.019 4.296 1.00 32.12 H new ATOM 0 HH21 ARG A 64 -9.606 -14.237 1.996 1.00 21.13 H new ATOM 0 HH22 ARG A 64 -9.350 -14.637 3.698 1.00 21.13 H new ATOM 1042 N ILE A 65 -7.583 -19.317 -3.450 1.00 1.31 N ATOM 1043 CA ILE A 65 -8.913 -19.666 -3.978 1.00 45.43 C ATOM 1044 C ILE A 65 -10.044 -19.204 -3.046 1.00 65.33 C ATOM 1045 O ILE A 65 -10.040 -19.488 -1.848 1.00 51.24 O ATOM 1046 CB ILE A 65 -9.040 -21.200 -4.240 1.00 53.53 C ATOM 1047 CG1 ILE A 65 -8.502 -21.552 -5.634 1.00 63.31 C ATOM 1048 CG2 ILE A 65 -10.486 -21.688 -4.095 1.00 2.43 C ATOM 1049 CD1 ILE A 65 -9.343 -20.996 -6.769 1.00 54.10 C ATOM 0 H ILE A 65 -7.093 -20.094 -3.008 1.00 1.31 H new ATOM 0 HA ILE A 65 -9.015 -19.137 -4.926 1.00 45.43 H new ATOM 0 HB ILE A 65 -8.441 -21.709 -3.484 1.00 53.53 H new ATOM 0 HG12 ILE A 65 -7.484 -21.173 -5.728 1.00 63.31 H new ATOM 0 HG13 ILE A 65 -8.448 -22.636 -5.730 1.00 63.31 H new ATOM 0 HG21 ILE A 65 -10.529 -22.760 -4.286 1.00 2.43 H new ATOM 0 HG22 ILE A 65 -10.839 -21.485 -3.084 1.00 2.43 H new ATOM 0 HG23 ILE A 65 -11.120 -21.166 -4.812 1.00 2.43 H new ATOM 0 HD11 ILE A 65 -8.903 -21.284 -7.723 1.00 54.10 H new ATOM 0 HD12 ILE A 65 -10.355 -21.395 -6.701 1.00 54.10 H new ATOM 0 HD13 ILE A 65 -9.376 -19.909 -6.699 1.00 54.10 H new ATOM 1061 N LEU A 66 -11.008 -18.490 -3.619 1.00 12.45 N ATOM 1062 CA LEU A 66 -12.207 -18.071 -2.892 1.00 3.52 C ATOM 1063 C LEU A 66 -13.364 -19.049 -3.143 1.00 71.31 C ATOM 1064 O LEU A 66 -14.144 -19.361 -2.242 1.00 5.51 O ATOM 1065 CB LEU A 66 -12.618 -16.659 -3.334 1.00 44.32 C ATOM 1066 CG LEU A 66 -13.727 -16.002 -2.497 1.00 1.34 C ATOM 1067 CD1 LEU A 66 -13.226 -15.698 -1.087 1.00 70.43 C ATOM 1068 CD2 LEU A 66 -14.245 -14.736 -3.178 1.00 70.24 C ATOM 0 H LEU A 66 -10.983 -18.186 -4.592 1.00 12.45 H new ATOM 0 HA LEU A 66 -11.980 -18.067 -1.826 1.00 3.52 H new ATOM 0 HB2 LEU A 66 -11.737 -16.017 -3.306 1.00 44.32 H new ATOM 0 HB3 LEU A 66 -12.948 -16.703 -4.372 1.00 44.32 H new ATOM 0 HG LEU A 66 -14.558 -16.703 -2.419 1.00 1.34 H new ATOM 0 HD11 LEU A 66 -14.025 -15.233 -0.509 1.00 70.43 H new ATOM 0 HD12 LEU A 66 -12.920 -16.625 -0.602 1.00 70.43 H new ATOM 0 HD13 LEU A 66 -12.375 -15.019 -1.142 1.00 70.43 H new ATOM 0 HD21 LEU A 66 -15.029 -14.289 -2.567 1.00 70.24 H new ATOM 0 HD22 LEU A 66 -13.427 -14.025 -3.296 1.00 70.24 H new ATOM 0 HD23 LEU A 66 -14.649 -14.989 -4.158 1.00 70.24 H new ATOM 1080 N SER A 67 -13.469 -19.531 -4.383 1.00 15.03 N ATOM 1081 CA SER A 67 -14.546 -20.451 -4.779 1.00 65.21 C ATOM 1082 C SER A 67 -14.146 -21.297 -5.995 1.00 24.43 C ATOM 1083 O SER A 67 -13.201 -20.964 -6.719 1.00 21.35 O ATOM 1084 CB SER A 67 -15.822 -19.670 -5.113 1.00 63.53 C ATOM 1085 OG SER A 67 -15.603 -18.778 -6.193 1.00 75.12 O ATOM 0 H SER A 67 -12.820 -19.300 -5.136 1.00 15.03 H new ATOM 0 HA SER A 67 -14.729 -21.116 -3.935 1.00 65.21 H new ATOM 0 HB2 SER A 67 -16.622 -20.365 -5.367 1.00 63.53 H new ATOM 0 HB3 SER A 67 -16.151 -19.112 -4.237 1.00 63.53 H new ATOM 0 HG SER A 67 -16.002 -17.908 -5.985 1.00 75.12 H new ATOM 1091 N LEU A 68 -14.883 -22.385 -6.222 1.00 22.23 N ATOM 1092 CA LEU A 68 -14.613 -23.296 -7.344 1.00 73.24 C ATOM 1093 C LEU A 68 -15.799 -23.357 -8.326 1.00 52.12 C ATOM 1094 O LEU A 68 -16.964 -23.352 -7.918 1.00 44.13 O ATOM 1095 CB LEU A 68 -14.311 -24.708 -6.814 1.00 12.44 C ATOM 1096 CG LEU A 68 -13.077 -24.822 -5.900 1.00 30.44 C ATOM 1097 CD1 LEU A 68 -12.921 -26.248 -5.375 1.00 33.53 C ATOM 1098 CD2 LEU A 68 -11.810 -24.375 -6.632 1.00 62.43 C ATOM 0 H LEU A 68 -15.676 -22.661 -5.643 1.00 22.23 H new ATOM 0 HA LEU A 68 -13.747 -22.910 -7.882 1.00 73.24 H new ATOM 0 HB2 LEU A 68 -15.182 -25.065 -6.265 1.00 12.44 H new ATOM 0 HB3 LEU A 68 -14.174 -25.375 -7.665 1.00 12.44 H new ATOM 0 HG LEU A 68 -13.228 -24.159 -5.048 1.00 30.44 H new ATOM 0 HD11 LEU A 68 -12.043 -26.305 -4.732 1.00 33.53 H new ATOM 0 HD12 LEU A 68 -13.807 -26.525 -4.804 1.00 33.53 H new ATOM 0 HD13 LEU A 68 -12.801 -26.934 -6.214 1.00 33.53 H new ATOM 0 HD21 LEU A 68 -10.953 -24.465 -5.964 1.00 62.43 H new ATOM 0 HD22 LEU A 68 -11.655 -25.004 -7.508 1.00 62.43 H new ATOM 0 HD23 LEU A 68 -11.918 -23.337 -6.945 1.00 62.43 H new ATOM 1110 N SER A 69 -15.491 -23.409 -9.620 1.00 63.05 N ATOM 1111 CA SER A 69 -16.515 -23.567 -10.664 1.00 42.13 C ATOM 1112 C SER A 69 -16.708 -25.047 -11.003 1.00 4.30 C ATOM 1113 O SER A 69 -15.751 -25.823 -10.962 1.00 41.01 O ATOM 1114 CB SER A 69 -16.124 -22.807 -11.936 1.00 2.20 C ATOM 1115 OG SER A 69 -17.102 -22.980 -12.951 1.00 63.05 O ATOM 0 H SER A 69 -14.538 -23.344 -9.977 1.00 63.05 H new ATOM 0 HA SER A 69 -17.448 -23.156 -10.278 1.00 42.13 H new ATOM 0 HB2 SER A 69 -16.012 -21.746 -11.711 1.00 2.20 H new ATOM 0 HB3 SER A 69 -15.157 -23.161 -12.293 1.00 2.20 H new ATOM 0 HG SER A 69 -16.833 -22.485 -13.753 1.00 63.05 H new ATOM 1121 N GLU A 70 -17.942 -25.442 -11.319 1.00 63.54 N ATOM 1122 CA GLU A 70 -18.255 -26.842 -11.653 1.00 63.13 C ATOM 1123 C GLU A 70 -17.905 -27.787 -10.477 1.00 40.42 C ATOM 1124 O GLU A 70 -17.849 -29.008 -10.633 1.00 51.23 O ATOM 1125 CB GLU A 70 -17.490 -27.255 -12.926 1.00 13.42 C ATOM 1126 CG GLU A 70 -17.858 -28.631 -13.474 1.00 62.15 C ATOM 1127 CD GLU A 70 -16.995 -29.035 -14.657 1.00 72.44 C ATOM 1128 OE1 GLU A 70 -15.921 -29.631 -14.442 1.00 50.43 O ATOM 1129 OE2 GLU A 70 -17.381 -28.744 -15.807 1.00 11.34 O ATOM 0 H GLU A 70 -18.746 -24.815 -11.352 1.00 63.54 H new ATOM 0 HA GLU A 70 -19.326 -26.925 -11.837 1.00 63.13 H new ATOM 0 HB2 GLU A 70 -17.672 -26.510 -13.701 1.00 13.42 H new ATOM 0 HB3 GLU A 70 -16.421 -27.238 -12.713 1.00 13.42 H new ATOM 0 HG2 GLU A 70 -17.755 -29.373 -12.683 1.00 62.15 H new ATOM 0 HG3 GLU A 70 -18.905 -28.630 -13.776 1.00 62.15 H new ATOM 1136 N SER A 71 -17.690 -27.203 -9.295 1.00 73.02 N ATOM 1137 CA SER A 71 -17.259 -27.955 -8.104 1.00 41.54 C ATOM 1138 C SER A 71 -15.913 -28.660 -8.341 1.00 51.24 C ATOM 1139 O SER A 71 -15.607 -29.678 -7.718 1.00 32.42 O ATOM 1140 CB SER A 71 -18.336 -28.969 -7.687 1.00 73.21 C ATOM 1141 OG SER A 71 -19.575 -28.317 -7.438 1.00 33.23 O ATOM 0 H SER A 71 -17.808 -26.203 -9.133 1.00 73.02 H new ATOM 0 HA SER A 71 -17.120 -27.241 -7.292 1.00 41.54 H new ATOM 0 HB2 SER A 71 -18.464 -29.714 -8.472 1.00 73.21 H new ATOM 0 HB3 SER A 71 -18.014 -29.501 -6.792 1.00 73.21 H new ATOM 0 HG SER A 71 -20.247 -28.980 -7.176 1.00 33.23 H new ATOM 1147 N GLY A 72 -15.100 -28.085 -9.225 1.00 74.24 N ATOM 1148 CA GLY A 72 -13.789 -28.650 -9.541 1.00 23.23 C ATOM 1149 C GLY A 72 -12.829 -27.616 -10.126 1.00 71.44 C ATOM 1150 O GLY A 72 -11.687 -27.490 -9.682 1.00 41.43 O ATOM 0 H GLY A 72 -15.325 -27.230 -9.734 1.00 74.24 H new ATOM 0 HA2 GLY A 72 -13.353 -29.074 -8.637 1.00 23.23 H new ATOM 0 HA3 GLY A 72 -13.912 -29.469 -10.250 1.00 23.23 H new ATOM 1154 N ARG A 73 -13.300 -26.875 -11.128 1.00 63.54 N ATOM 1155 CA ARG A 73 -12.504 -25.812 -11.760 1.00 14.42 C ATOM 1156 C ARG A 73 -12.272 -24.627 -10.810 1.00 42.42 C ATOM 1157 O ARG A 73 -12.975 -24.462 -9.814 1.00 0.03 O ATOM 1158 CB ARG A 73 -13.215 -25.292 -13.018 1.00 61.41 C ATOM 1159 CG ARG A 73 -13.287 -26.279 -14.175 1.00 60.53 C ATOM 1160 CD ARG A 73 -11.908 -26.589 -14.753 1.00 44.41 C ATOM 1161 NE ARG A 73 -12.005 -27.124 -16.108 1.00 2.50 N ATOM 1162 CZ ARG A 73 -11.263 -28.083 -16.584 1.00 2.12 C ATOM 1163 NH1 ARG A 73 -10.369 -28.659 -15.849 1.00 32.20 N ATOM 1164 NH2 ARG A 73 -11.417 -28.456 -17.811 1.00 22.22 N ATOM 0 H ARG A 73 -14.233 -26.989 -11.524 1.00 63.54 H new ATOM 0 HA ARG A 73 -11.540 -26.249 -12.019 1.00 14.42 H new ATOM 0 HB2 ARG A 73 -14.229 -24.999 -12.748 1.00 61.41 H new ATOM 0 HB3 ARG A 73 -12.703 -24.392 -13.360 1.00 61.41 H new ATOM 0 HG2 ARG A 73 -13.753 -27.204 -13.834 1.00 60.53 H new ATOM 0 HG3 ARG A 73 -13.925 -25.872 -14.959 1.00 60.53 H new ATOM 0 HD2 ARG A 73 -11.303 -25.682 -14.761 1.00 44.41 H new ATOM 0 HD3 ARG A 73 -11.397 -27.308 -14.112 1.00 44.41 H new ATOM 0 HE ARG A 73 -12.705 -26.717 -16.728 1.00 2.50 H new ATOM 0 HH11 ARG A 73 -10.237 -28.364 -14.882 1.00 32.20 H new ATOM 0 HH12 ARG A 73 -9.796 -29.409 -16.236 1.00 32.20 H new ATOM 0 HH21 ARG A 73 -12.115 -28.000 -18.399 1.00 22.22 H new ATOM 0 HH22 ARG A 73 -10.840 -29.206 -18.192 1.00 22.22 H new ATOM 1178 N VAL A 74 -11.288 -23.795 -11.142 1.00 23.02 N ATOM 1179 CA VAL A 74 -11.062 -22.531 -10.435 1.00 35.13 C ATOM 1180 C VAL A 74 -12.144 -21.504 -10.810 1.00 31.15 C ATOM 1181 O VAL A 74 -12.656 -21.517 -11.927 1.00 31.11 O ATOM 1182 CB VAL A 74 -9.653 -21.964 -10.766 1.00 1.02 C ATOM 1183 CG1 VAL A 74 -9.474 -20.543 -10.228 1.00 12.51 C ATOM 1184 CG2 VAL A 74 -8.565 -22.890 -10.222 1.00 62.24 C ATOM 0 H VAL A 74 -10.629 -23.972 -11.900 1.00 23.02 H new ATOM 0 HA VAL A 74 -11.118 -22.725 -9.364 1.00 35.13 H new ATOM 0 HB VAL A 74 -9.561 -21.915 -11.851 1.00 1.02 H new ATOM 0 HG11 VAL A 74 -8.477 -20.182 -10.479 1.00 12.51 H new ATOM 0 HG12 VAL A 74 -10.221 -19.888 -10.676 1.00 12.51 H new ATOM 0 HG13 VAL A 74 -9.596 -20.546 -9.145 1.00 12.51 H new ATOM 0 HG21 VAL A 74 -7.584 -22.479 -10.462 1.00 62.24 H new ATOM 0 HG22 VAL A 74 -8.668 -22.976 -9.140 1.00 62.24 H new ATOM 0 HG23 VAL A 74 -8.666 -23.876 -10.676 1.00 62.24 H new ATOM 1194 N ARG A 75 -12.518 -20.631 -9.873 1.00 51.11 N ATOM 1195 CA ARG A 75 -13.534 -19.606 -10.154 1.00 62.21 C ATOM 1196 C ARG A 75 -13.045 -18.205 -9.761 1.00 5.34 C ATOM 1197 O ARG A 75 -12.659 -17.401 -10.614 1.00 51.20 O ATOM 1198 CB ARG A 75 -14.842 -19.933 -9.415 1.00 40.40 C ATOM 1199 CG ARG A 75 -16.086 -19.380 -10.110 1.00 72.32 C ATOM 1200 CD ARG A 75 -17.369 -19.673 -9.334 1.00 42.11 C ATOM 1201 NE ARG A 75 -17.526 -18.809 -8.165 1.00 52.01 N ATOM 1202 CZ ARG A 75 -18.682 -18.406 -7.706 1.00 74.24 C ATOM 1203 NH1 ARG A 75 -19.783 -18.797 -8.261 1.00 64.11 N ATOM 1204 NH2 ARG A 75 -18.741 -17.615 -6.688 1.00 54.22 N ATOM 0 H ARG A 75 -12.141 -20.609 -8.925 1.00 51.11 H new ATOM 0 HA ARG A 75 -13.718 -19.609 -11.228 1.00 62.21 H new ATOM 0 HB2 ARG A 75 -14.937 -21.015 -9.322 1.00 40.40 H new ATOM 0 HB3 ARG A 75 -14.790 -19.529 -8.404 1.00 40.40 H new ATOM 0 HG2 ARG A 75 -15.979 -18.303 -10.236 1.00 72.32 H new ATOM 0 HG3 ARG A 75 -16.162 -19.811 -11.108 1.00 72.32 H new ATOM 0 HD2 ARG A 75 -18.227 -19.545 -9.994 1.00 42.11 H new ATOM 0 HD3 ARG A 75 -17.366 -20.715 -9.014 1.00 42.11 H new ATOM 0 HE ARG A 75 -16.684 -18.502 -7.679 1.00 52.01 H new ATOM 0 HH11 ARG A 75 -19.754 -19.425 -9.064 1.00 64.11 H new ATOM 0 HH12 ARG A 75 -20.680 -18.477 -7.896 1.00 64.11 H new ATOM 0 HH21 ARG A 75 -17.882 -17.300 -6.236 1.00 54.22 H new ATOM 0 HH22 ARG A 75 -19.646 -17.305 -6.335 1.00 54.22 H new ATOM 1218 N GLU A 76 -13.064 -17.923 -8.459 1.00 3.41 N ATOM 1219 CA GLU A 76 -12.627 -16.627 -7.936 1.00 64.21 C ATOM 1220 C GLU A 76 -11.265 -16.748 -7.243 1.00 25.34 C ATOM 1221 O GLU A 76 -11.139 -17.414 -6.214 1.00 73.41 O ATOM 1222 CB GLU A 76 -13.665 -16.081 -6.946 1.00 44.14 C ATOM 1223 CG GLU A 76 -15.054 -15.888 -7.547 1.00 74.31 C ATOM 1224 CD GLU A 76 -16.071 -15.406 -6.523 1.00 51.15 C ATOM 1225 OE1 GLU A 76 -16.581 -16.243 -5.746 1.00 63.31 O ATOM 1226 OE2 GLU A 76 -16.364 -14.198 -6.489 1.00 24.32 O ATOM 0 H GLU A 76 -13.379 -18.578 -7.743 1.00 3.41 H new ATOM 0 HA GLU A 76 -12.529 -15.938 -8.775 1.00 64.21 H new ATOM 0 HB2 GLU A 76 -13.738 -16.763 -6.099 1.00 44.14 H new ATOM 0 HB3 GLU A 76 -13.313 -15.126 -6.556 1.00 44.14 H new ATOM 0 HG2 GLU A 76 -14.996 -15.168 -8.363 1.00 74.31 H new ATOM 0 HG3 GLU A 76 -15.394 -16.830 -7.977 1.00 74.31 H new ATOM 1233 N PHE A 77 -10.245 -16.123 -7.823 1.00 25.30 N ATOM 1234 CA PHE A 77 -8.903 -16.111 -7.237 1.00 12.11 C ATOM 1235 C PHE A 77 -8.716 -14.838 -6.396 1.00 33.03 C ATOM 1236 O PHE A 77 -8.448 -13.762 -6.928 1.00 74.32 O ATOM 1237 CB PHE A 77 -7.845 -16.195 -8.354 1.00 74.31 C ATOM 1238 CG PHE A 77 -6.693 -17.115 -8.042 1.00 75.45 C ATOM 1239 CD1 PHE A 77 -6.918 -18.468 -7.828 1.00 2.23 C ATOM 1240 CD2 PHE A 77 -5.390 -16.639 -7.977 1.00 21.43 C ATOM 1241 CE1 PHE A 77 -5.871 -19.325 -7.552 1.00 14.44 C ATOM 1242 CE2 PHE A 77 -4.341 -17.494 -7.701 1.00 11.01 C ATOM 1243 CZ PHE A 77 -4.582 -18.837 -7.488 1.00 24.10 C ATOM 0 H PHE A 77 -10.320 -15.614 -8.704 1.00 25.30 H new ATOM 0 HA PHE A 77 -8.781 -16.975 -6.584 1.00 12.11 H new ATOM 0 HB2 PHE A 77 -8.327 -16.532 -9.272 1.00 74.31 H new ATOM 0 HB3 PHE A 77 -7.456 -15.195 -8.547 1.00 74.31 H new ATOM 0 HD1 PHE A 77 -7.925 -18.855 -7.878 1.00 2.23 H new ATOM 0 HD2 PHE A 77 -5.195 -15.590 -8.144 1.00 21.43 H new ATOM 0 HE1 PHE A 77 -6.061 -20.375 -7.387 1.00 14.44 H new ATOM 0 HE2 PHE A 77 -3.332 -17.112 -7.652 1.00 11.01 H new ATOM 0 HZ PHE A 77 -3.762 -19.505 -7.271 1.00 24.10 H new ATOM 1253 N GLU A 78 -8.889 -14.958 -5.083 1.00 14.11 N ATOM 1254 CA GLU A 78 -8.858 -13.794 -4.193 1.00 15.13 C ATOM 1255 C GLU A 78 -7.424 -13.282 -3.973 1.00 34.22 C ATOM 1256 O GLU A 78 -6.538 -14.028 -3.542 1.00 30.24 O ATOM 1257 CB GLU A 78 -9.520 -14.124 -2.847 1.00 45.02 C ATOM 1258 CG GLU A 78 -9.544 -12.944 -1.875 1.00 53.54 C ATOM 1259 CD GLU A 78 -10.366 -13.219 -0.625 1.00 33.44 C ATOM 1260 OE1 GLU A 78 -9.901 -13.978 0.246 1.00 51.44 O ATOM 1261 OE2 GLU A 78 -11.479 -12.667 -0.502 1.00 51.14 O ATOM 0 H GLU A 78 -9.052 -15.846 -4.609 1.00 14.11 H new ATOM 0 HA GLU A 78 -9.423 -12.998 -4.678 1.00 15.13 H new ATOM 0 HB2 GLU A 78 -10.542 -14.458 -3.026 1.00 45.02 H new ATOM 0 HB3 GLU A 78 -8.989 -14.956 -2.384 1.00 45.02 H new ATOM 0 HG2 GLU A 78 -8.522 -12.699 -1.585 1.00 53.54 H new ATOM 0 HG3 GLU A 78 -9.949 -12.069 -2.384 1.00 53.54 H new ATOM 1268 N LEU A 79 -7.208 -12.006 -4.286 1.00 21.34 N ATOM 1269 CA LEU A 79 -5.914 -11.356 -4.078 1.00 0.33 C ATOM 1270 C LEU A 79 -5.854 -10.708 -2.686 1.00 55.23 C ATOM 1271 O LEU A 79 -6.423 -9.634 -2.466 1.00 43.35 O ATOM 1272 CB LEU A 79 -5.681 -10.289 -5.161 1.00 44.04 C ATOM 1273 CG LEU A 79 -5.852 -10.772 -6.615 1.00 63.30 C ATOM 1274 CD1 LEU A 79 -5.595 -9.632 -7.599 1.00 60.50 C ATOM 1275 CD2 LEU A 79 -4.931 -11.953 -6.909 1.00 11.55 C ATOM 0 H LEU A 79 -7.920 -11.396 -4.689 1.00 21.34 H new ATOM 0 HA LEU A 79 -5.132 -12.112 -4.145 1.00 0.33 H new ATOM 0 HB2 LEU A 79 -6.371 -9.463 -4.987 1.00 44.04 H new ATOM 0 HB3 LEU A 79 -4.673 -9.892 -5.044 1.00 44.04 H new ATOM 0 HG LEU A 79 -6.882 -11.106 -6.739 1.00 63.30 H new ATOM 0 HD11 LEU A 79 -5.721 -9.996 -8.619 1.00 60.50 H new ATOM 0 HD12 LEU A 79 -6.302 -8.824 -7.412 1.00 60.50 H new ATOM 0 HD13 LEU A 79 -4.578 -9.262 -7.469 1.00 60.50 H new ATOM 0 HD21 LEU A 79 -5.071 -12.275 -7.941 1.00 11.55 H new ATOM 0 HD22 LEU A 79 -3.894 -11.652 -6.760 1.00 11.55 H new ATOM 0 HD23 LEU A 79 -5.170 -12.777 -6.236 1.00 11.55 H new ATOM 1287 N VAL A 80 -5.182 -11.371 -1.746 1.00 72.14 N ATOM 1288 CA VAL A 80 -5.087 -10.876 -0.367 1.00 54.14 C ATOM 1289 C VAL A 80 -3.844 -9.989 -0.168 1.00 14.33 C ATOM 1290 O VAL A 80 -2.706 -10.429 -0.351 1.00 61.31 O ATOM 1291 CB VAL A 80 -5.093 -12.046 0.658 1.00 42.22 C ATOM 1292 CG1 VAL A 80 -4.005 -13.073 0.349 1.00 15.24 C ATOM 1293 CG2 VAL A 80 -4.958 -11.517 2.090 1.00 4.04 C ATOM 0 H VAL A 80 -4.695 -12.252 -1.911 1.00 72.14 H new ATOM 0 HA VAL A 80 -5.970 -10.263 -0.186 1.00 54.14 H new ATOM 0 HB VAL A 80 -6.054 -12.554 0.571 1.00 42.22 H new ATOM 0 HG11 VAL A 80 -4.041 -13.875 1.087 1.00 15.24 H new ATOM 0 HG12 VAL A 80 -4.168 -13.488 -0.646 1.00 15.24 H new ATOM 0 HG13 VAL A 80 -3.028 -12.590 0.385 1.00 15.24 H new ATOM 0 HG21 VAL A 80 -4.965 -12.353 2.789 1.00 4.04 H new ATOM 0 HG22 VAL A 80 -4.021 -10.969 2.189 1.00 4.04 H new ATOM 0 HG23 VAL A 80 -5.792 -10.852 2.312 1.00 4.04 H new ATOM 1303 N TYR A 81 -4.075 -8.728 0.201 1.00 25.42 N ATOM 1304 CA TYR A 81 -2.993 -7.758 0.382 1.00 53.41 C ATOM 1305 C TYR A 81 -3.228 -6.876 1.622 1.00 2.34 C ATOM 1306 O TYR A 81 -4.130 -6.040 1.643 1.00 55.23 O ATOM 1307 CB TYR A 81 -2.865 -6.889 -0.880 1.00 31.24 C ATOM 1308 CG TYR A 81 -1.765 -5.842 -0.818 1.00 23.01 C ATOM 1309 CD1 TYR A 81 -0.444 -6.205 -0.583 1.00 3.04 C ATOM 1310 CD2 TYR A 81 -2.047 -4.493 -0.999 1.00 12.23 C ATOM 1311 CE1 TYR A 81 0.561 -5.259 -0.532 1.00 55.12 C ATOM 1312 CE2 TYR A 81 -1.047 -3.542 -0.952 1.00 0.23 C ATOM 1313 CZ TYR A 81 0.255 -3.929 -0.717 1.00 13.24 C ATOM 1314 OH TYR A 81 1.254 -2.983 -0.669 1.00 22.21 O ATOM 0 H TYR A 81 -5.006 -8.353 0.381 1.00 25.42 H new ATOM 0 HA TYR A 81 -2.064 -8.305 0.542 1.00 53.41 H new ATOM 0 HB2 TYR A 81 -2.682 -7.539 -1.736 1.00 31.24 H new ATOM 0 HB3 TYR A 81 -3.816 -6.388 -1.058 1.00 31.24 H new ATOM 0 HD1 TYR A 81 -0.199 -7.247 -0.438 1.00 3.04 H new ATOM 0 HD2 TYR A 81 -3.066 -4.183 -1.180 1.00 12.23 H new ATOM 0 HE1 TYR A 81 1.582 -5.561 -0.348 1.00 55.12 H new ATOM 0 HE2 TYR A 81 -1.284 -2.499 -1.099 1.00 0.23 H new ATOM 0 HH TYR A 81 0.870 -2.094 -0.820 1.00 22.21 H new ATOM 1324 N ARG A 82 -2.418 -7.072 2.662 1.00 4.15 N ATOM 1325 CA ARG A 82 -2.524 -6.259 3.882 1.00 1.02 C ATOM 1326 C ARG A 82 -1.245 -5.442 4.115 1.00 51.13 C ATOM 1327 O ARG A 82 -0.132 -5.971 4.044 1.00 74.11 O ATOM 1328 CB ARG A 82 -2.826 -7.131 5.114 1.00 21.01 C ATOM 1329 CG ARG A 82 -4.098 -7.972 4.984 1.00 34.34 C ATOM 1330 CD ARG A 82 -4.669 -8.361 6.348 1.00 61.11 C ATOM 1331 NE ARG A 82 -3.663 -8.957 7.228 1.00 34.42 N ATOM 1332 CZ ARG A 82 -3.370 -8.504 8.420 1.00 5.21 C ATOM 1333 NH1 ARG A 82 -4.010 -7.501 8.925 1.00 64.52 N ATOM 1334 NH2 ARG A 82 -2.455 -9.074 9.127 1.00 42.54 N ATOM 0 H ARG A 82 -1.685 -7.781 2.689 1.00 4.15 H new ATOM 0 HA ARG A 82 -3.356 -5.570 3.739 1.00 1.02 H new ATOM 0 HB2 ARG A 82 -1.980 -7.795 5.293 1.00 21.01 H new ATOM 0 HB3 ARG A 82 -2.916 -6.487 5.989 1.00 21.01 H new ATOM 0 HG2 ARG A 82 -4.847 -7.412 4.424 1.00 34.34 H new ATOM 0 HG3 ARG A 82 -3.880 -8.874 4.412 1.00 34.34 H new ATOM 0 HD2 ARG A 82 -5.089 -7.477 6.828 1.00 61.11 H new ATOM 0 HD3 ARG A 82 -5.488 -9.067 6.208 1.00 61.11 H new ATOM 0 HE ARG A 82 -3.159 -9.777 6.891 1.00 34.42 H new ATOM 0 HH11 ARG A 82 -4.755 -7.051 8.393 1.00 64.52 H new ATOM 0 HH12 ARG A 82 -3.770 -7.159 9.856 1.00 64.52 H new ATOM 0 HH21 ARG A 82 -1.955 -9.883 8.758 1.00 42.54 H new ATOM 0 HH22 ARG A 82 -2.231 -8.716 10.056 1.00 42.54 H new ATOM 1348 N VAL A 83 -1.413 -4.152 4.399 1.00 1.00 N ATOM 1349 CA VAL A 83 -0.280 -3.230 4.559 1.00 21.35 C ATOM 1350 C VAL A 83 -0.026 -2.881 6.033 1.00 4.32 C ATOM 1351 O VAL A 83 -0.858 -2.249 6.682 1.00 4.43 O ATOM 1352 CB VAL A 83 -0.521 -1.920 3.772 1.00 34.35 C ATOM 1353 CG1 VAL A 83 0.674 -0.975 3.897 1.00 71.25 C ATOM 1354 CG2 VAL A 83 -0.824 -2.221 2.309 1.00 70.41 C ATOM 0 H VAL A 83 -2.326 -3.716 4.524 1.00 1.00 H new ATOM 0 HA VAL A 83 0.597 -3.744 4.165 1.00 21.35 H new ATOM 0 HB VAL A 83 -1.387 -1.420 4.205 1.00 34.35 H new ATOM 0 HG11 VAL A 83 0.477 -0.063 3.334 1.00 71.25 H new ATOM 0 HG12 VAL A 83 0.833 -0.727 4.946 1.00 71.25 H new ATOM 0 HG13 VAL A 83 1.565 -1.461 3.500 1.00 71.25 H new ATOM 0 HG21 VAL A 83 -0.991 -1.287 1.772 1.00 70.41 H new ATOM 0 HG22 VAL A 83 0.019 -2.750 1.864 1.00 70.41 H new ATOM 0 HG23 VAL A 83 -1.717 -2.842 2.243 1.00 70.41 H new ATOM 1364 N ALA A 84 1.129 -3.288 6.551 1.00 64.22 N ATOM 1365 CA ALA A 84 1.526 -2.947 7.920 1.00 73.53 C ATOM 1366 C ALA A 84 2.469 -1.734 7.936 1.00 74.43 C ATOM 1367 O ALA A 84 3.636 -1.839 7.557 1.00 72.41 O ATOM 1368 CB ALA A 84 2.188 -4.148 8.589 1.00 73.13 C ATOM 0 H ALA A 84 1.810 -3.855 6.046 1.00 64.22 H new ATOM 0 HA ALA A 84 0.629 -2.681 8.480 1.00 73.53 H new ATOM 0 HB1 ALA A 84 2.479 -3.884 9.606 1.00 73.13 H new ATOM 0 HB2 ALA A 84 1.486 -4.981 8.618 1.00 73.13 H new ATOM 0 HB3 ALA A 84 3.073 -4.438 8.022 1.00 73.13 H new ATOM 1374 N ALA A 85 1.949 -0.583 8.359 1.00 22.42 N ATOM 1375 CA ALA A 85 2.731 0.663 8.423 1.00 12.52 C ATOM 1376 C ALA A 85 2.351 1.489 9.660 1.00 23.41 C ATOM 1377 O ALA A 85 1.188 1.521 10.058 1.00 3.14 O ATOM 1378 CB ALA A 85 2.525 1.481 7.151 1.00 34.45 C ATOM 0 H ALA A 85 0.982 -0.482 8.666 1.00 22.42 H new ATOM 0 HA ALA A 85 3.786 0.400 8.505 1.00 12.52 H new ATOM 0 HB1 ALA A 85 3.108 2.400 7.211 1.00 34.45 H new ATOM 0 HB2 ALA A 85 2.850 0.900 6.288 1.00 34.45 H new ATOM 0 HB3 ALA A 85 1.469 1.728 7.044 1.00 34.45 H new ATOM 1384 N ARG A 86 3.333 2.159 10.267 1.00 2.43 N ATOM 1385 CA ARG A 86 3.102 2.906 11.513 1.00 53.23 C ATOM 1386 C ARG A 86 3.602 4.361 11.422 1.00 53.41 C ATOM 1387 O ARG A 86 4.494 4.681 10.632 1.00 30.03 O ATOM 1388 CB ARG A 86 3.770 2.173 12.685 1.00 20.20 C ATOM 1389 CG ARG A 86 3.255 0.747 12.860 1.00 62.33 C ATOM 1390 CD ARG A 86 3.923 0.013 14.016 1.00 32.33 C ATOM 1391 NE ARG A 86 3.430 -1.360 14.119 1.00 42.01 N ATOM 1392 CZ ARG A 86 3.176 -1.978 15.241 1.00 74.44 C ATOM 1393 NH1 ARG A 86 3.415 -1.409 16.380 1.00 75.44 N ATOM 1394 NH2 ARG A 86 2.693 -3.178 15.218 1.00 63.30 N ATOM 0 H ARG A 86 4.292 2.202 9.921 1.00 2.43 H new ATOM 0 HA ARG A 86 2.026 2.954 11.681 1.00 53.23 H new ATOM 0 HB2 ARG A 86 4.848 2.148 12.525 1.00 20.20 H new ATOM 0 HB3 ARG A 86 3.597 2.733 13.604 1.00 20.20 H new ATOM 0 HG2 ARG A 86 2.178 0.773 13.027 1.00 62.33 H new ATOM 0 HG3 ARG A 86 3.422 0.190 11.938 1.00 62.33 H new ATOM 0 HD2 ARG A 86 5.003 0.005 13.871 1.00 32.33 H new ATOM 0 HD3 ARG A 86 3.730 0.543 14.948 1.00 32.33 H new ATOM 0 HE ARG A 86 3.273 -1.872 13.251 1.00 42.01 H new ATOM 0 HH11 ARG A 86 3.806 -0.467 16.408 1.00 75.44 H new ATOM 0 HH12 ARG A 86 3.212 -1.903 17.249 1.00 75.44 H new ATOM 0 HH21 ARG A 86 2.512 -3.638 14.326 1.00 63.30 H new ATOM 0 HH22 ARG A 86 2.493 -3.664 16.092 1.00 63.30 H new ATOM 1408 N LEU A 87 3.020 5.233 12.252 1.00 50.00 N ATOM 1409 CA LEU A 87 3.310 6.675 12.222 1.00 74.12 C ATOM 1410 C LEU A 87 4.022 7.111 13.520 1.00 24.34 C ATOM 1411 O LEU A 87 3.408 7.180 14.589 1.00 0.12 O ATOM 1412 CB LEU A 87 1.984 7.437 12.038 1.00 32.13 C ATOM 1413 CG LEU A 87 2.074 8.861 11.463 1.00 4.05 C ATOM 1414 CD1 LEU A 87 0.687 9.336 11.049 1.00 55.03 C ATOM 1415 CD2 LEU A 87 2.691 9.836 12.466 1.00 12.44 C ATOM 0 H LEU A 87 2.338 4.964 12.961 1.00 50.00 H new ATOM 0 HA LEU A 87 3.978 6.902 11.391 1.00 74.12 H new ATOM 0 HB2 LEU A 87 1.342 6.847 11.384 1.00 32.13 H new ATOM 0 HB3 LEU A 87 1.488 7.493 13.007 1.00 32.13 H new ATOM 0 HG LEU A 87 2.725 8.833 10.590 1.00 4.05 H new ATOM 0 HD11 LEU A 87 0.754 10.345 10.642 1.00 55.03 H new ATOM 0 HD12 LEU A 87 0.284 8.665 10.290 1.00 55.03 H new ATOM 0 HD13 LEU A 87 0.029 9.338 11.918 1.00 55.03 H new ATOM 0 HD21 LEU A 87 2.738 10.831 12.024 1.00 12.44 H new ATOM 0 HD22 LEU A 87 2.078 9.868 13.367 1.00 12.44 H new ATOM 0 HD23 LEU A 87 3.697 9.505 12.723 1.00 12.44 H new ATOM 1427 N LEU A 88 5.318 7.406 13.425 1.00 15.21 N ATOM 1428 CA LEU A 88 6.132 7.704 14.613 1.00 64.11 C ATOM 1429 C LEU A 88 6.664 9.150 14.626 1.00 13.53 C ATOM 1430 O LEU A 88 6.473 9.916 13.684 1.00 42.40 O ATOM 1431 CB LEU A 88 7.323 6.731 14.714 1.00 60.43 C ATOM 1432 CG LEU A 88 6.975 5.231 14.789 1.00 51.22 C ATOM 1433 CD1 LEU A 88 6.590 4.684 13.419 1.00 64.30 C ATOM 1434 CD2 LEU A 88 8.139 4.437 15.376 1.00 74.42 C ATOM 0 H LEU A 88 5.829 7.446 12.543 1.00 15.21 H new ATOM 0 HA LEU A 88 5.472 7.582 15.471 1.00 64.11 H new ATOM 0 HB2 LEU A 88 7.969 6.890 13.850 1.00 60.43 H new ATOM 0 HB3 LEU A 88 7.904 6.992 15.598 1.00 60.43 H new ATOM 0 HG LEU A 88 6.114 5.121 15.448 1.00 51.22 H new ATOM 0 HD11 LEU A 88 6.350 3.624 13.505 1.00 64.30 H new ATOM 0 HD12 LEU A 88 5.721 5.224 13.043 1.00 64.30 H new ATOM 0 HD13 LEU A 88 7.424 4.813 12.728 1.00 64.30 H new ATOM 0 HD21 LEU A 88 7.873 3.381 15.420 1.00 74.42 H new ATOM 0 HD22 LEU A 88 9.020 4.563 14.746 1.00 74.42 H new ATOM 0 HD23 LEU A 88 8.356 4.799 16.381 1.00 74.42 H new ATOM 1446 N ASP A 89 7.325 9.499 15.725 1.00 34.12 N ATOM 1447 CA ASP A 89 8.006 10.789 15.888 1.00 71.22 C ATOM 1448 C ASP A 89 9.471 10.705 15.409 1.00 23.54 C ATOM 1449 O ASP A 89 9.995 9.609 15.185 1.00 42.33 O ATOM 1450 CB ASP A 89 7.951 11.185 17.373 1.00 52.41 C ATOM 1451 CG ASP A 89 8.779 12.414 17.702 1.00 44.51 C ATOM 1452 OD1 ASP A 89 8.369 13.532 17.340 1.00 54.42 O ATOM 1453 OD2 ASP A 89 9.855 12.262 18.320 1.00 1.11 O ATOM 0 H ASP A 89 7.407 8.891 16.540 1.00 34.12 H new ATOM 0 HA ASP A 89 7.505 11.543 15.281 1.00 71.22 H new ATOM 0 HB2 ASP A 89 6.914 11.369 17.654 1.00 52.41 H new ATOM 0 HB3 ASP A 89 8.301 10.348 17.977 1.00 52.41 H new ATOM 1458 N ALA A 90 10.132 11.861 15.277 1.00 25.32 N ATOM 1459 CA ALA A 90 11.550 11.923 14.885 1.00 62.20 C ATOM 1460 C ALA A 90 12.438 11.021 15.764 1.00 14.15 C ATOM 1461 O ALA A 90 13.493 10.553 15.331 1.00 53.44 O ATOM 1462 CB ALA A 90 12.051 13.362 14.958 1.00 62.40 C ATOM 0 H ALA A 90 9.706 12.774 15.437 1.00 25.32 H new ATOM 0 HA ALA A 90 11.618 11.557 13.860 1.00 62.20 H new ATOM 0 HB1 ALA A 90 13.101 13.397 14.666 1.00 62.40 H new ATOM 0 HB2 ALA A 90 11.466 13.986 14.283 1.00 62.40 H new ATOM 0 HB3 ALA A 90 11.945 13.733 15.978 1.00 62.40 H new ATOM 1468 N HIS A 91 12.005 10.786 17.001 1.00 31.22 N ATOM 1469 CA HIS A 91 12.760 9.962 17.953 1.00 2.23 C ATOM 1470 C HIS A 91 12.253 8.504 17.990 1.00 14.12 C ATOM 1471 O HIS A 91 12.492 7.782 18.960 1.00 43.32 O ATOM 1472 CB HIS A 91 12.668 10.591 19.351 1.00 12.24 C ATOM 1473 CG HIS A 91 13.184 11.998 19.397 1.00 42.53 C ATOM 1474 ND1 HIS A 91 12.370 13.108 19.289 1.00 3.01 N ATOM 1475 CD2 HIS A 91 14.443 12.473 19.530 1.00 20.32 C ATOM 1476 CE1 HIS A 91 13.107 14.199 19.350 1.00 73.05 C ATOM 1477 NE2 HIS A 91 14.365 13.843 19.497 1.00 41.23 N ATOM 0 H HIS A 91 11.130 11.156 17.373 1.00 31.22 H new ATOM 0 HA HIS A 91 13.799 9.931 17.624 1.00 2.23 H new ATOM 0 HB2 HIS A 91 11.629 10.580 19.680 1.00 12.24 H new ATOM 0 HB3 HIS A 91 13.232 9.980 20.056 1.00 12.24 H new ATOM 0 HD1 HIS A 91 11.356 13.087 19.179 1.00 3.01 H new ATOM 0 HD2 HIS A 91 15.342 11.885 19.641 1.00 20.32 H new ATOM 0 HE1 HIS A 91 12.740 15.213 19.290 1.00 73.05 H new ATOM 1486 N ASN A 92 11.565 8.076 16.923 1.00 35.24 N ATOM 1487 CA ASN A 92 11.046 6.697 16.806 1.00 54.42 C ATOM 1488 C ASN A 92 9.975 6.373 17.866 1.00 4.31 C ATOM 1489 O ASN A 92 9.695 5.206 18.149 1.00 61.11 O ATOM 1490 CB ASN A 92 12.194 5.677 16.881 1.00 62.43 C ATOM 1491 CG ASN A 92 13.106 5.738 15.666 1.00 43.52 C ATOM 1492 OD1 ASN A 92 14.044 6.528 15.615 1.00 15.31 O ATOM 1493 ND2 ASN A 92 12.851 4.897 14.682 1.00 2.42 N ATOM 0 H ASN A 92 11.351 8.667 16.120 1.00 35.24 H new ATOM 0 HA ASN A 92 10.564 6.626 15.831 1.00 54.42 H new ATOM 0 HB2 ASN A 92 12.781 5.860 17.781 1.00 62.43 H new ATOM 0 HB3 ASN A 92 11.779 4.673 16.970 1.00 62.43 H new ATOM 0 HD21 ASN A 92 13.441 4.892 13.850 1.00 2.42 H new ATOM 0 HD22 ASN A 92 12.064 4.252 14.753 1.00 2.42 H new ATOM 1500 N ALA A 93 9.369 7.408 18.437 1.00 53.21 N ATOM 1501 CA ALA A 93 8.258 7.232 19.379 1.00 74.43 C ATOM 1502 C ALA A 93 6.913 7.309 18.642 1.00 54.30 C ATOM 1503 O ALA A 93 6.598 8.325 18.029 1.00 14.41 O ATOM 1504 CB ALA A 93 8.324 8.288 20.477 1.00 30.12 C ATOM 0 H ALA A 93 9.625 8.381 18.267 1.00 53.21 H new ATOM 0 HA ALA A 93 8.344 6.247 19.838 1.00 74.43 H new ATOM 0 HB1 ALA A 93 7.494 8.146 21.169 1.00 30.12 H new ATOM 0 HB2 ALA A 93 9.266 8.194 21.016 1.00 30.12 H new ATOM 0 HB3 ALA A 93 8.259 9.281 20.031 1.00 30.12 H new ATOM 1510 N GLU A 94 6.126 6.237 18.697 1.00 32.22 N ATOM 1511 CA GLU A 94 4.861 6.177 17.950 1.00 55.42 C ATOM 1512 C GLU A 94 3.854 7.244 18.418 1.00 31.34 C ATOM 1513 O GLU A 94 3.181 7.092 19.441 1.00 45.40 O ATOM 1514 CB GLU A 94 4.227 4.769 18.006 1.00 0.21 C ATOM 1515 CG GLU A 94 4.100 4.160 19.404 1.00 62.42 C ATOM 1516 CD GLU A 94 5.399 3.547 19.903 1.00 2.23 C ATOM 1517 OE1 GLU A 94 5.752 2.443 19.447 1.00 3.33 O ATOM 1518 OE2 GLU A 94 6.077 4.166 20.751 1.00 10.05 O ATOM 0 H GLU A 94 6.335 5.402 19.245 1.00 32.22 H new ATOM 0 HA GLU A 94 5.111 6.394 16.911 1.00 55.42 H new ATOM 0 HB2 GLU A 94 3.234 4.818 17.558 1.00 0.21 H new ATOM 0 HB3 GLU A 94 4.822 4.097 17.388 1.00 0.21 H new ATOM 0 HG2 GLU A 94 3.776 4.931 20.103 1.00 62.42 H new ATOM 0 HG3 GLU A 94 3.324 3.395 19.392 1.00 62.42 H new ATOM 1525 N LEU A 95 3.780 8.337 17.661 1.00 34.35 N ATOM 1526 CA LEU A 95 2.787 9.390 17.898 1.00 74.14 C ATOM 1527 C LEU A 95 1.374 8.901 17.552 1.00 24.43 C ATOM 1528 O LEU A 95 0.399 9.226 18.237 1.00 1.13 O ATOM 1529 CB LEU A 95 3.130 10.635 17.063 1.00 14.33 C ATOM 1530 CG LEU A 95 4.349 11.439 17.541 1.00 25.34 C ATOM 1531 CD1 LEU A 95 4.590 12.642 16.634 1.00 53.22 C ATOM 1532 CD2 LEU A 95 4.171 11.880 18.993 1.00 74.34 C ATOM 0 H LEU A 95 4.400 8.520 16.872 1.00 34.35 H new ATOM 0 HA LEU A 95 2.810 9.648 18.957 1.00 74.14 H new ATOM 0 HB2 LEU A 95 3.304 10.323 16.033 1.00 14.33 H new ATOM 0 HB3 LEU A 95 2.263 11.295 17.054 1.00 14.33 H new ATOM 0 HG LEU A 95 5.226 10.793 17.489 1.00 25.34 H new ATOM 0 HD11 LEU A 95 5.457 13.198 16.990 1.00 53.22 H new ATOM 0 HD12 LEU A 95 4.772 12.299 15.615 1.00 53.22 H new ATOM 0 HD13 LEU A 95 3.713 13.290 16.648 1.00 53.22 H new ATOM 0 HD21 LEU A 95 5.046 12.448 19.311 1.00 74.34 H new ATOM 0 HD22 LEU A 95 3.282 12.506 19.077 1.00 74.34 H new ATOM 0 HD23 LEU A 95 4.058 11.002 19.629 1.00 74.34 H new ATOM 1544 N ALA A 96 1.278 8.117 16.484 1.00 51.24 N ATOM 1545 CA ALA A 96 0.008 7.534 16.051 1.00 35.23 C ATOM 1546 C ALA A 96 0.196 6.072 15.626 1.00 63.30 C ATOM 1547 O ALA A 96 0.784 5.788 14.577 1.00 62.54 O ATOM 1548 CB ALA A 96 -0.588 8.354 14.907 1.00 23.11 C ATOM 0 H ALA A 96 2.072 7.867 15.895 1.00 51.24 H new ATOM 0 HA ALA A 96 -0.685 7.555 16.892 1.00 35.23 H new ATOM 0 HB1 ALA A 96 -1.533 7.909 14.594 1.00 23.11 H new ATOM 0 HB2 ALA A 96 -0.762 9.376 15.244 1.00 23.11 H new ATOM 0 HB3 ALA A 96 0.105 8.362 14.066 1.00 23.11 H new ATOM 1554 N SER A 97 -0.287 5.143 16.447 1.00 40.10 N ATOM 1555 CA SER A 97 -0.212 3.715 16.118 1.00 22.40 C ATOM 1556 C SER A 97 -1.128 3.401 14.928 1.00 25.34 C ATOM 1557 O SER A 97 -2.280 2.996 15.098 1.00 25.00 O ATOM 1558 CB SER A 97 -0.591 2.848 17.331 1.00 53.44 C ATOM 1559 OG SER A 97 -0.347 1.468 17.083 1.00 72.13 O ATOM 0 H SER A 97 -0.733 5.348 17.341 1.00 40.10 H new ATOM 0 HA SER A 97 0.817 3.479 15.845 1.00 22.40 H new ATOM 0 HB2 SER A 97 -0.019 3.169 18.202 1.00 53.44 H new ATOM 0 HB3 SER A 97 -1.644 2.995 17.570 1.00 53.44 H new ATOM 0 HG SER A 97 -0.597 0.945 17.873 1.00 72.13 H new ATOM 1565 N LEU A 98 -0.620 3.651 13.722 1.00 71.02 N ATOM 1566 CA LEU A 98 -1.385 3.449 12.493 1.00 31.20 C ATOM 1567 C LEU A 98 -1.715 1.963 12.289 1.00 43.04 C ATOM 1568 O LEU A 98 -0.846 1.095 12.402 1.00 72.45 O ATOM 1569 CB LEU A 98 -0.608 4.022 11.295 1.00 21.32 C ATOM 1570 CG LEU A 98 -1.370 4.066 9.957 1.00 14.53 C ATOM 1571 CD1 LEU A 98 -2.713 4.780 10.117 1.00 42.14 C ATOM 1572 CD2 LEU A 98 -0.523 4.756 8.885 1.00 54.02 C ATOM 0 H LEU A 98 0.327 3.997 13.570 1.00 71.02 H new ATOM 0 HA LEU A 98 -2.333 3.981 12.575 1.00 31.20 H new ATOM 0 HB2 LEU A 98 -0.291 5.035 11.544 1.00 21.32 H new ATOM 0 HB3 LEU A 98 0.296 3.430 11.156 1.00 21.32 H new ATOM 0 HG LEU A 98 -1.566 3.041 9.642 1.00 14.53 H new ATOM 0 HD11 LEU A 98 -3.232 4.798 9.159 1.00 42.14 H new ATOM 0 HD12 LEU A 98 -3.322 4.250 10.849 1.00 42.14 H new ATOM 0 HD13 LEU A 98 -2.544 5.802 10.457 1.00 42.14 H new ATOM 0 HD21 LEU A 98 -1.074 4.780 7.945 1.00 54.02 H new ATOM 0 HD22 LEU A 98 -0.298 5.775 9.199 1.00 54.02 H new ATOM 0 HD23 LEU A 98 0.407 4.205 8.746 1.00 54.02 H new ATOM 1584 N GLN A 99 -2.979 1.681 11.990 1.00 45.13 N ATOM 1585 CA GLN A 99 -3.484 0.309 11.954 1.00 13.52 C ATOM 1586 C GLN A 99 -3.272 -0.352 10.582 1.00 5.53 C ATOM 1587 O GLN A 99 -3.427 0.284 9.539 1.00 63.13 O ATOM 1588 CB GLN A 99 -4.970 0.308 12.334 1.00 74.05 C ATOM 1589 CG GLN A 99 -5.561 -1.082 12.541 1.00 63.23 C ATOM 1590 CD GLN A 99 -6.961 -1.035 13.131 1.00 34.44 C ATOM 1591 OE1 GLN A 99 -7.725 -0.109 12.883 1.00 32.32 O ATOM 1592 NE2 GLN A 99 -7.307 -2.026 13.928 1.00 45.54 N ATOM 0 H GLN A 99 -3.679 2.389 11.767 1.00 45.13 H new ATOM 0 HA GLN A 99 -2.919 -0.282 12.675 1.00 13.52 H new ATOM 0 HB2 GLN A 99 -5.100 0.886 13.249 1.00 74.05 H new ATOM 0 HB3 GLN A 99 -5.534 0.818 11.553 1.00 74.05 H new ATOM 0 HG2 GLN A 99 -5.590 -1.607 11.586 1.00 63.23 H new ATOM 0 HG3 GLN A 99 -4.911 -1.656 13.201 1.00 63.23 H new ATOM 0 HE21 GLN A 99 -6.650 -2.783 14.116 1.00 45.54 H new ATOM 0 HE22 GLN A 99 -8.232 -2.036 14.357 1.00 45.54 H new ATOM 1601 N GLU A 100 -2.916 -1.636 10.606 1.00 62.25 N ATOM 1602 CA GLU A 100 -2.666 -2.416 9.386 1.00 23.42 C ATOM 1603 C GLU A 100 -3.887 -2.428 8.444 1.00 61.24 C ATOM 1604 O GLU A 100 -5.009 -2.740 8.851 1.00 64.33 O ATOM 1605 CB GLU A 100 -2.246 -3.843 9.772 1.00 12.24 C ATOM 1606 CG GLU A 100 -3.238 -4.553 10.690 1.00 53.43 C ATOM 1607 CD GLU A 100 -2.596 -5.660 11.511 1.00 3.31 C ATOM 1608 OE1 GLU A 100 -2.402 -6.773 10.979 1.00 0.01 O ATOM 1609 OE2 GLU A 100 -2.277 -5.416 12.694 1.00 62.35 O ATOM 0 H GLU A 100 -2.792 -2.167 11.468 1.00 62.25 H new ATOM 0 HA GLU A 100 -1.857 -1.939 8.833 1.00 23.42 H new ATOM 0 HB2 GLU A 100 -2.120 -4.432 8.864 1.00 12.24 H new ATOM 0 HB3 GLU A 100 -1.274 -3.805 10.264 1.00 12.24 H new ATOM 0 HG2 GLU A 100 -3.689 -3.824 11.363 1.00 53.43 H new ATOM 0 HG3 GLU A 100 -4.044 -4.974 10.089 1.00 53.43 H new ATOM 1616 N ILE A 101 -3.649 -2.086 7.181 1.00 31.42 N ATOM 1617 CA ILE A 101 -4.719 -1.921 6.190 1.00 40.04 C ATOM 1618 C ILE A 101 -5.144 -3.260 5.555 1.00 34.13 C ATOM 1619 O ILE A 101 -4.313 -3.990 5.011 1.00 33.22 O ATOM 1620 CB ILE A 101 -4.269 -0.955 5.063 1.00 45.21 C ATOM 1621 CG1 ILE A 101 -3.765 0.370 5.663 1.00 71.43 C ATOM 1622 CG2 ILE A 101 -5.412 -0.702 4.079 1.00 64.32 C ATOM 1623 CD1 ILE A 101 -3.182 1.323 4.639 1.00 74.55 C ATOM 0 H ILE A 101 -2.714 -1.915 6.812 1.00 31.42 H new ATOM 0 HA ILE A 101 -5.575 -1.509 6.724 1.00 40.04 H new ATOM 0 HB ILE A 101 -3.449 -1.421 4.517 1.00 45.21 H new ATOM 0 HG12 ILE A 101 -4.591 0.863 6.176 1.00 71.43 H new ATOM 0 HG13 ILE A 101 -3.007 0.152 6.416 1.00 71.43 H new ATOM 0 HG21 ILE A 101 -5.075 -0.022 3.297 1.00 64.32 H new ATOM 0 HG22 ILE A 101 -5.722 -1.646 3.631 1.00 64.32 H new ATOM 0 HG23 ILE A 101 -6.255 -0.258 4.607 1.00 64.32 H new ATOM 0 HD11 ILE A 101 -2.849 2.233 5.137 1.00 74.55 H new ATOM 0 HD12 ILE A 101 -2.335 0.850 4.143 1.00 74.55 H new ATOM 0 HD13 ILE A 101 -3.943 1.572 3.899 1.00 74.55 H new ATOM 1635 N ARG A 102 -6.443 -3.569 5.618 1.00 3.15 N ATOM 1636 CA ARG A 102 -6.994 -4.773 4.972 1.00 1.52 C ATOM 1637 C ARG A 102 -7.470 -4.472 3.539 1.00 43.31 C ATOM 1638 O ARG A 102 -8.410 -3.700 3.341 1.00 21.14 O ATOM 1639 CB ARG A 102 -8.179 -5.322 5.787 1.00 62.02 C ATOM 1640 CG ARG A 102 -8.819 -6.570 5.174 1.00 51.35 C ATOM 1641 CD ARG A 102 -10.172 -6.899 5.804 1.00 62.51 C ATOM 1642 NE ARG A 102 -11.161 -5.841 5.569 1.00 32.24 N ATOM 1643 CZ ARG A 102 -12.277 -6.002 4.900 1.00 20.14 C ATOM 1644 NH1 ARG A 102 -12.557 -7.132 4.335 1.00 71.14 N ATOM 1645 NH2 ARG A 102 -13.099 -5.011 4.779 1.00 43.15 N ATOM 0 H ARG A 102 -7.136 -3.004 6.109 1.00 3.15 H new ATOM 0 HA ARG A 102 -6.197 -5.515 4.930 1.00 1.52 H new ATOM 0 HB2 ARG A 102 -7.838 -5.557 6.795 1.00 62.02 H new ATOM 0 HB3 ARG A 102 -8.937 -4.544 5.880 1.00 62.02 H new ATOM 0 HG2 ARG A 102 -8.947 -6.420 4.102 1.00 51.35 H new ATOM 0 HG3 ARG A 102 -8.147 -7.419 5.299 1.00 51.35 H new ATOM 0 HD2 ARG A 102 -10.543 -7.839 5.395 1.00 62.51 H new ATOM 0 HD3 ARG A 102 -10.046 -7.045 6.877 1.00 62.51 H new ATOM 0 HE ARG A 102 -10.967 -4.916 5.953 1.00 32.24 H new ATOM 0 HH11 ARG A 102 -11.905 -7.913 4.407 1.00 71.14 H new ATOM 0 HH12 ARG A 102 -13.429 -7.241 3.818 1.00 71.14 H new ATOM 0 HH21 ARG A 102 -12.878 -4.110 5.203 1.00 43.15 H new ATOM 0 HH22 ARG A 102 -13.969 -5.130 4.260 1.00 43.15 H new ATOM 1659 N LEU A 103 -6.825 -5.085 2.544 1.00 2.14 N ATOM 1660 CA LEU A 103 -7.236 -4.934 1.139 1.00 12.00 C ATOM 1661 C LEU A 103 -7.339 -6.305 0.440 1.00 71.32 C ATOM 1662 O LEU A 103 -6.419 -7.118 0.514 1.00 5.22 O ATOM 1663 CB LEU A 103 -6.237 -4.039 0.380 1.00 43.14 C ATOM 1664 CG LEU A 103 -6.085 -2.600 0.906 1.00 71.25 C ATOM 1665 CD1 LEU A 103 -5.001 -1.855 0.126 1.00 41.22 C ATOM 1666 CD2 LEU A 103 -7.417 -1.850 0.835 1.00 43.24 C ATOM 0 H LEU A 103 -6.016 -5.691 2.681 1.00 2.14 H new ATOM 0 HA LEU A 103 -8.220 -4.465 1.129 1.00 12.00 H new ATOM 0 HB2 LEU A 103 -5.259 -4.519 0.404 1.00 43.14 H new ATOM 0 HB3 LEU A 103 -6.543 -3.992 -0.665 1.00 43.14 H new ATOM 0 HG LEU A 103 -5.782 -2.650 1.952 1.00 71.25 H new ATOM 0 HD11 LEU A 103 -4.908 -0.840 0.512 1.00 41.22 H new ATOM 0 HD12 LEU A 103 -4.050 -2.375 0.239 1.00 41.22 H new ATOM 0 HD13 LEU A 103 -5.272 -1.819 -0.929 1.00 41.22 H new ATOM 0 HD21 LEU A 103 -7.284 -0.836 1.212 1.00 43.24 H new ATOM 0 HD22 LEU A 103 -7.758 -1.811 -0.200 1.00 43.24 H new ATOM 0 HD23 LEU A 103 -8.159 -2.368 1.442 1.00 43.24 H new ATOM 1678 N THR A 104 -8.462 -6.561 -0.236 1.00 42.12 N ATOM 1679 CA THR A 104 -8.660 -7.819 -0.985 1.00 41.11 C ATOM 1680 C THR A 104 -9.484 -7.594 -2.261 1.00 52.23 C ATOM 1681 O THR A 104 -10.495 -6.892 -2.242 1.00 13.21 O ATOM 1682 CB THR A 104 -9.370 -8.907 -0.132 1.00 53.33 C ATOM 1683 OG1 THR A 104 -10.566 -8.374 0.461 1.00 22.33 O ATOM 1684 CG2 THR A 104 -8.456 -9.453 0.962 1.00 33.14 C ATOM 0 H THR A 104 -9.252 -5.918 -0.284 1.00 42.12 H new ATOM 0 HA THR A 104 -7.660 -8.166 -1.247 1.00 41.11 H new ATOM 0 HB THR A 104 -9.627 -9.729 -0.801 1.00 53.33 H new ATOM 0 HG1 THR A 104 -11.005 -9.069 0.994 1.00 22.33 H new ATOM 0 HG21 THR A 104 -8.989 -10.211 1.536 1.00 33.14 H new ATOM 0 HG22 THR A 104 -7.570 -9.898 0.508 1.00 33.14 H new ATOM 0 HG23 THR A 104 -8.155 -8.641 1.624 1.00 33.14 H new ATOM 1692 N ARG A 105 -9.048 -8.192 -3.370 1.00 41.12 N ATOM 1693 CA ARG A 105 -9.781 -8.102 -4.644 1.00 23.01 C ATOM 1694 C ARG A 105 -10.074 -9.496 -5.220 1.00 4.24 C ATOM 1695 O ARG A 105 -9.537 -10.500 -4.753 1.00 64.32 O ATOM 1696 CB ARG A 105 -9.000 -7.267 -5.672 1.00 4.31 C ATOM 1697 CG ARG A 105 -8.803 -5.808 -5.269 1.00 15.33 C ATOM 1698 CD ARG A 105 -8.159 -4.997 -6.388 1.00 3.11 C ATOM 1699 NE ARG A 105 -7.891 -3.621 -5.982 1.00 20.23 N ATOM 1700 CZ ARG A 105 -7.780 -2.617 -6.811 1.00 3.41 C ATOM 1701 NH1 ARG A 105 -7.963 -2.777 -8.084 1.00 54.43 N ATOM 1702 NH2 ARG A 105 -7.507 -1.439 -6.361 1.00 71.41 N ATOM 0 H ARG A 105 -8.192 -8.745 -3.417 1.00 41.12 H new ATOM 0 HA ARG A 105 -10.730 -7.607 -4.436 1.00 23.01 H new ATOM 0 HB2 ARG A 105 -8.023 -7.725 -5.829 1.00 4.31 H new ATOM 0 HB3 ARG A 105 -9.525 -7.301 -6.626 1.00 4.31 H new ATOM 0 HG2 ARG A 105 -9.766 -5.369 -5.009 1.00 15.33 H new ATOM 0 HG3 ARG A 105 -8.179 -5.758 -4.377 1.00 15.33 H new ATOM 0 HD2 ARG A 105 -7.227 -5.474 -6.691 1.00 3.11 H new ATOM 0 HD3 ARG A 105 -8.814 -4.997 -7.259 1.00 3.11 H new ATOM 0 HE ARG A 105 -7.783 -3.431 -4.986 1.00 20.23 H new ATOM 0 HH11 ARG A 105 -8.198 -3.698 -8.454 1.00 54.43 H new ATOM 0 HH12 ARG A 105 -7.872 -1.982 -8.716 1.00 54.43 H new ATOM 0 HH21 ARG A 105 -7.378 -1.293 -5.360 1.00 71.41 H new ATOM 0 HH22 ARG A 105 -7.420 -0.654 -7.006 1.00 71.41 H new ATOM 1716 N ILE A 106 -10.927 -9.548 -6.242 1.00 35.04 N ATOM 1717 CA ILE A 106 -11.326 -10.819 -6.865 1.00 73.23 C ATOM 1718 C ILE A 106 -10.777 -10.942 -8.297 1.00 61.33 C ATOM 1719 O ILE A 106 -11.161 -10.183 -9.189 1.00 34.40 O ATOM 1720 CB ILE A 106 -12.871 -10.968 -6.903 1.00 12.23 C ATOM 1721 CG1 ILE A 106 -13.467 -10.769 -5.497 1.00 5.32 C ATOM 1722 CG2 ILE A 106 -13.273 -12.330 -7.474 1.00 71.42 C ATOM 1723 CD1 ILE A 106 -12.939 -11.740 -4.457 1.00 3.34 C ATOM 0 H ILE A 106 -11.359 -8.724 -6.661 1.00 35.04 H new ATOM 0 HA ILE A 106 -10.902 -11.614 -6.251 1.00 73.23 H new ATOM 0 HB ILE A 106 -13.272 -10.196 -7.559 1.00 12.23 H new ATOM 0 HG12 ILE A 106 -13.259 -9.751 -5.167 1.00 5.32 H new ATOM 0 HG13 ILE A 106 -14.551 -10.870 -5.556 1.00 5.32 H new ATOM 0 HG21 ILE A 106 -14.360 -12.411 -7.491 1.00 71.42 H new ATOM 0 HG22 ILE A 106 -12.886 -12.428 -8.488 1.00 71.42 H new ATOM 0 HG23 ILE A 106 -12.860 -13.122 -6.850 1.00 71.42 H new ATOM 0 HD11 ILE A 106 -13.408 -11.533 -3.495 1.00 3.34 H new ATOM 0 HD12 ILE A 106 -13.170 -12.761 -4.762 1.00 3.34 H new ATOM 0 HD13 ILE A 106 -11.859 -11.624 -4.366 1.00 3.34 H new ATOM 1735 N LEU A 107 -9.869 -11.892 -8.506 1.00 31.32 N ATOM 1736 CA LEU A 107 -9.318 -12.169 -9.839 1.00 20.34 C ATOM 1737 C LEU A 107 -10.059 -13.362 -10.479 1.00 22.44 C ATOM 1738 O LEU A 107 -9.893 -14.507 -10.056 1.00 55.41 O ATOM 1739 CB LEU A 107 -7.800 -12.441 -9.719 1.00 43.31 C ATOM 1740 CG LEU A 107 -6.989 -12.525 -11.035 1.00 61.43 C ATOM 1741 CD1 LEU A 107 -7.228 -13.842 -11.768 1.00 43.34 C ATOM 1742 CD2 LEU A 107 -7.299 -11.339 -11.948 1.00 61.22 C ATOM 0 H LEU A 107 -9.495 -12.488 -7.768 1.00 31.32 H new ATOM 0 HA LEU A 107 -9.461 -11.305 -10.488 1.00 20.34 H new ATOM 0 HB2 LEU A 107 -7.364 -11.654 -9.103 1.00 43.31 H new ATOM 0 HB3 LEU A 107 -7.667 -13.379 -9.180 1.00 43.31 H new ATOM 0 HG LEU A 107 -5.934 -12.486 -10.763 1.00 61.43 H new ATOM 0 HD11 LEU A 107 -6.640 -13.860 -12.686 1.00 43.34 H new ATOM 0 HD12 LEU A 107 -6.929 -14.673 -11.130 1.00 43.34 H new ATOM 0 HD13 LEU A 107 -8.286 -13.935 -12.013 1.00 43.34 H new ATOM 0 HD21 LEU A 107 -6.716 -11.423 -12.865 1.00 61.22 H new ATOM 0 HD22 LEU A 107 -8.361 -11.336 -12.193 1.00 61.22 H new ATOM 0 HD23 LEU A 107 -7.041 -10.410 -11.438 1.00 61.22 H new ATOM 1754 N PRO A 108 -10.904 -13.112 -11.501 1.00 64.34 N ATOM 1755 CA PRO A 108 -11.711 -14.170 -12.143 1.00 72.42 C ATOM 1756 C PRO A 108 -10.880 -15.136 -13.009 1.00 62.25 C ATOM 1757 O PRO A 108 -9.895 -14.745 -13.648 1.00 25.44 O ATOM 1758 CB PRO A 108 -12.695 -13.374 -13.011 1.00 53.44 C ATOM 1759 CG PRO A 108 -11.979 -12.101 -13.325 1.00 64.31 C ATOM 1760 CD PRO A 108 -11.142 -11.786 -12.111 1.00 0.24 C ATOM 0 HA PRO A 108 -12.184 -14.817 -11.405 1.00 72.42 H new ATOM 0 HB2 PRO A 108 -12.952 -13.919 -13.920 1.00 53.44 H new ATOM 0 HB3 PRO A 108 -13.627 -13.183 -12.480 1.00 53.44 H new ATOM 0 HG2 PRO A 108 -11.355 -12.213 -14.211 1.00 64.31 H new ATOM 0 HG3 PRO A 108 -12.685 -11.297 -13.532 1.00 64.31 H new ATOM 0 HD2 PRO A 108 -10.207 -11.296 -12.384 1.00 0.24 H new ATOM 0 HD3 PRO A 108 -11.664 -11.117 -11.426 1.00 0.24 H new ATOM 1768 N PHE A 109 -11.279 -16.408 -13.029 1.00 71.31 N ATOM 1769 CA PHE A 109 -10.600 -17.412 -13.850 1.00 54.34 C ATOM 1770 C PHE A 109 -11.282 -17.588 -15.213 1.00 12.22 C ATOM 1771 O PHE A 109 -12.250 -18.335 -15.351 1.00 4.52 O ATOM 1772 CB PHE A 109 -10.532 -18.759 -13.118 1.00 73.31 C ATOM 1773 CG PHE A 109 -9.949 -19.880 -13.953 1.00 52.40 C ATOM 1774 CD1 PHE A 109 -8.668 -19.782 -14.483 1.00 30.43 C ATOM 1775 CD2 PHE A 109 -10.685 -21.029 -14.212 1.00 4.31 C ATOM 1776 CE1 PHE A 109 -8.139 -20.803 -15.251 1.00 10.44 C ATOM 1777 CE2 PHE A 109 -10.160 -22.051 -14.977 1.00 72.53 C ATOM 1778 CZ PHE A 109 -8.884 -21.939 -15.496 1.00 74.23 C ATOM 0 H PHE A 109 -12.066 -16.767 -12.488 1.00 71.31 H new ATOM 0 HA PHE A 109 -9.586 -17.052 -14.025 1.00 54.34 H new ATOM 0 HB2 PHE A 109 -9.933 -18.641 -12.215 1.00 73.31 H new ATOM 0 HB3 PHE A 109 -11.536 -19.040 -12.800 1.00 73.31 H new ATOM 0 HD1 PHE A 109 -8.078 -18.897 -14.293 1.00 30.43 H new ATOM 0 HD2 PHE A 109 -11.682 -21.124 -13.809 1.00 4.31 H new ATOM 0 HE1 PHE A 109 -7.143 -20.712 -15.659 1.00 10.44 H new ATOM 0 HE2 PHE A 109 -10.746 -22.938 -15.170 1.00 72.53 H new ATOM 0 HZ PHE A 109 -8.470 -22.739 -16.092 1.00 74.23 H new ATOM 1788 N LEU A 110 -10.784 -16.869 -16.213 1.00 52.01 N ATOM 1789 CA LEU A 110 -11.211 -17.074 -17.597 1.00 43.32 C ATOM 1790 C LEU A 110 -10.184 -17.950 -18.330 1.00 25.52 C ATOM 1791 O LEU A 110 -9.085 -17.499 -18.656 1.00 71.01 O ATOM 1792 CB LEU A 110 -11.391 -15.725 -18.303 1.00 72.41 C ATOM 1793 CG LEU A 110 -12.433 -14.784 -17.667 1.00 50.24 C ATOM 1794 CD1 LEU A 110 -12.555 -13.487 -18.466 1.00 20.51 C ATOM 1795 CD2 LEU A 110 -13.792 -15.477 -17.549 1.00 64.41 C ATOM 0 H LEU A 110 -10.083 -16.138 -16.093 1.00 52.01 H new ATOM 0 HA LEU A 110 -12.173 -17.587 -17.607 1.00 43.32 H new ATOM 0 HB2 LEU A 110 -10.429 -15.213 -18.325 1.00 72.41 H new ATOM 0 HB3 LEU A 110 -11.677 -15.910 -19.338 1.00 72.41 H new ATOM 0 HG LEU A 110 -12.091 -14.533 -16.663 1.00 50.24 H new ATOM 0 HD11 LEU A 110 -13.296 -12.839 -17.998 1.00 20.51 H new ATOM 0 HD12 LEU A 110 -11.590 -12.980 -18.486 1.00 20.51 H new ATOM 0 HD13 LEU A 110 -12.865 -13.716 -19.486 1.00 20.51 H new ATOM 0 HD21 LEU A 110 -14.511 -14.793 -17.097 1.00 64.41 H new ATOM 0 HD22 LEU A 110 -14.140 -15.767 -18.540 1.00 64.41 H new ATOM 0 HD23 LEU A 110 -13.694 -16.365 -16.925 1.00 64.41 H new ATOM 1807 N ASP A 111 -10.554 -19.205 -18.569 1.00 21.34 N ATOM 1808 CA ASP A 111 -9.629 -20.229 -19.077 1.00 5.44 C ATOM 1809 C ASP A 111 -8.923 -19.821 -20.387 1.00 34.00 C ATOM 1810 O ASP A 111 -7.698 -19.703 -20.430 1.00 2.41 O ATOM 1811 CB ASP A 111 -10.389 -21.549 -19.269 1.00 43.13 C ATOM 1812 CG ASP A 111 -9.491 -22.685 -19.728 1.00 60.04 C ATOM 1813 OD1 ASP A 111 -8.525 -23.009 -19.010 1.00 11.53 O ATOM 1814 OD2 ASP A 111 -9.746 -23.260 -20.809 1.00 74.40 O ATOM 0 H ASP A 111 -11.503 -19.547 -18.418 1.00 21.34 H new ATOM 0 HA ASP A 111 -8.841 -20.348 -18.334 1.00 5.44 H new ATOM 0 HB2 ASP A 111 -10.867 -21.827 -18.330 1.00 43.13 H new ATOM 0 HB3 ASP A 111 -11.184 -21.402 -20.000 1.00 43.13 H new ATOM 1819 N ALA A 112 -9.696 -19.600 -21.445 1.00 15.33 N ATOM 1820 CA ALA A 112 -9.132 -19.316 -22.774 1.00 44.34 C ATOM 1821 C ALA A 112 -8.751 -17.835 -22.960 1.00 43.01 C ATOM 1822 O ALA A 112 -8.349 -17.422 -24.053 1.00 54.34 O ATOM 1823 CB ALA A 112 -10.119 -19.744 -23.854 1.00 21.53 C ATOM 0 H ALA A 112 -10.716 -19.611 -21.415 1.00 15.33 H new ATOM 0 HA ALA A 112 -8.210 -19.890 -22.861 1.00 44.34 H new ATOM 0 HB1 ALA A 112 -9.698 -19.532 -24.837 1.00 21.53 H new ATOM 0 HB2 ALA A 112 -10.314 -20.813 -23.766 1.00 21.53 H new ATOM 0 HB3 ALA A 112 -11.052 -19.194 -23.733 1.00 21.53 H new ATOM 1829 N GLN A 113 -8.862 -17.036 -21.900 1.00 64.45 N ATOM 1830 CA GLN A 113 -8.532 -15.608 -21.976 1.00 61.32 C ATOM 1831 C GLN A 113 -7.108 -15.326 -21.479 1.00 42.34 C ATOM 1832 O GLN A 113 -6.877 -15.098 -20.288 1.00 4.02 O ATOM 1833 CB GLN A 113 -9.550 -14.773 -21.188 1.00 13.11 C ATOM 1834 CG GLN A 113 -10.953 -14.792 -21.785 1.00 5.14 C ATOM 1835 CD GLN A 113 -10.995 -14.243 -23.203 1.00 33.54 C ATOM 1836 OE1 GLN A 113 -10.205 -13.381 -23.575 1.00 64.51 O ATOM 1837 NE2 GLN A 113 -11.913 -14.736 -24.002 1.00 12.54 N ATOM 0 H GLN A 113 -9.176 -17.348 -20.981 1.00 64.45 H new ATOM 0 HA GLN A 113 -8.579 -15.319 -23.026 1.00 61.32 H new ATOM 0 HB2 GLN A 113 -9.596 -15.144 -20.164 1.00 13.11 H new ATOM 0 HB3 GLN A 113 -9.200 -13.742 -21.138 1.00 13.11 H new ATOM 0 HG2 GLN A 113 -11.330 -15.815 -21.784 1.00 5.14 H new ATOM 0 HG3 GLN A 113 -11.620 -14.206 -21.153 1.00 5.14 H new ATOM 0 HE21 GLN A 113 -12.555 -15.452 -23.661 1.00 12.54 H new ATOM 0 HE22 GLN A 113 -11.985 -14.403 -24.963 1.00 12.54 H new ATOM 1846 N GLU A 114 -6.160 -15.345 -22.413 1.00 15.34 N ATOM 1847 CA GLU A 114 -4.749 -15.081 -22.113 1.00 10.14 C ATOM 1848 C GLU A 114 -4.541 -13.685 -21.494 1.00 65.23 C ATOM 1849 O GLU A 114 -3.740 -13.523 -20.573 1.00 55.45 O ATOM 1850 CB GLU A 114 -3.911 -15.239 -23.392 1.00 3.20 C ATOM 1851 CG GLU A 114 -4.479 -14.489 -24.591 1.00 20.01 C ATOM 1852 CD GLU A 114 -3.669 -14.695 -25.859 1.00 63.41 C ATOM 1853 OE1 GLU A 114 -3.691 -15.819 -26.407 1.00 32.13 O ATOM 1854 OE2 GLU A 114 -3.004 -13.743 -26.314 1.00 1.44 O ATOM 0 H GLU A 114 -6.344 -15.543 -23.397 1.00 15.34 H new ATOM 0 HA GLU A 114 -4.420 -15.809 -21.371 1.00 10.14 H new ATOM 0 HB2 GLU A 114 -2.898 -14.885 -23.199 1.00 3.20 H new ATOM 0 HB3 GLU A 114 -3.836 -16.298 -23.639 1.00 3.20 H new ATOM 0 HG2 GLU A 114 -5.504 -14.816 -24.764 1.00 20.01 H new ATOM 0 HG3 GLU A 114 -4.519 -13.424 -24.361 1.00 20.01 H new ATOM 1861 N LEU A 115 -5.268 -12.679 -21.987 1.00 32.34 N ATOM 1862 CA LEU A 115 -5.183 -11.321 -21.422 1.00 61.32 C ATOM 1863 C LEU A 115 -5.754 -11.268 -19.995 1.00 4.10 C ATOM 1864 O LEU A 115 -5.154 -10.668 -19.100 1.00 35.44 O ATOM 1865 CB LEU A 115 -5.902 -10.297 -22.318 1.00 41.10 C ATOM 1866 CG LEU A 115 -5.108 -9.794 -23.540 1.00 23.20 C ATOM 1867 CD1 LEU A 115 -3.802 -9.131 -23.106 1.00 74.34 C ATOM 1868 CD2 LEU A 115 -4.833 -10.922 -24.527 1.00 54.33 C ATOM 0 H LEU A 115 -5.917 -12.773 -22.768 1.00 32.34 H new ATOM 0 HA LEU A 115 -4.126 -11.059 -21.377 1.00 61.32 H new ATOM 0 HB2 LEU A 115 -6.832 -10.743 -22.672 1.00 41.10 H new ATOM 0 HB3 LEU A 115 -6.174 -9.436 -21.707 1.00 41.10 H new ATOM 0 HG LEU A 115 -5.721 -9.048 -24.046 1.00 23.20 H new ATOM 0 HD11 LEU A 115 -3.260 -8.785 -23.986 1.00 74.34 H new ATOM 0 HD12 LEU A 115 -4.022 -8.283 -22.458 1.00 74.34 H new ATOM 0 HD13 LEU A 115 -3.190 -9.852 -22.564 1.00 74.34 H new ATOM 0 HD21 LEU A 115 -4.272 -10.533 -25.377 1.00 54.33 H new ATOM 0 HD22 LEU A 115 -4.253 -11.702 -24.035 1.00 54.33 H new ATOM 0 HD23 LEU A 115 -5.778 -11.338 -24.876 1.00 54.33 H new ATOM 1880 N ALA A 116 -6.896 -11.921 -19.781 1.00 65.25 N ATOM 1881 CA ALA A 116 -7.550 -11.932 -18.463 1.00 73.51 C ATOM 1882 C ALA A 116 -6.681 -12.615 -17.393 1.00 24.14 C ATOM 1883 O ALA A 116 -6.960 -12.526 -16.197 1.00 24.20 O ATOM 1884 CB ALA A 116 -8.911 -12.608 -18.552 1.00 14.50 C ATOM 0 H ALA A 116 -7.391 -12.450 -20.499 1.00 65.25 H new ATOM 0 HA ALA A 116 -7.686 -10.894 -18.158 1.00 73.51 H new ATOM 0 HB1 ALA A 116 -9.382 -12.608 -17.569 1.00 14.50 H new ATOM 0 HB2 ALA A 116 -9.541 -12.065 -19.256 1.00 14.50 H new ATOM 0 HB3 ALA A 116 -8.785 -13.635 -18.894 1.00 14.50 H new ATOM 1890 N LYS A 117 -5.639 -13.314 -17.835 1.00 53.23 N ATOM 1891 CA LYS A 117 -4.673 -13.933 -16.927 1.00 31.40 C ATOM 1892 C LYS A 117 -3.365 -13.127 -16.882 1.00 12.33 C ATOM 1893 O LYS A 117 -2.996 -12.573 -15.850 1.00 14.05 O ATOM 1894 CB LYS A 117 -4.381 -15.377 -17.372 1.00 64.42 C ATOM 1895 CG LYS A 117 -5.593 -16.317 -17.363 1.00 45.23 C ATOM 1896 CD LYS A 117 -6.065 -16.667 -15.945 1.00 4.22 C ATOM 1897 CE LYS A 117 -7.078 -15.668 -15.391 1.00 51.23 C ATOM 1898 NZ LYS A 117 -7.418 -15.953 -13.972 1.00 23.32 N ATOM 0 H LYS A 117 -5.440 -13.468 -18.824 1.00 53.23 H new ATOM 0 HA LYS A 117 -5.105 -13.943 -15.926 1.00 31.40 H new ATOM 0 HB2 LYS A 117 -3.966 -15.354 -18.380 1.00 64.42 H new ATOM 0 HB3 LYS A 117 -3.613 -15.793 -16.721 1.00 64.42 H new ATOM 0 HG2 LYS A 117 -6.413 -15.850 -17.909 1.00 45.23 H new ATOM 0 HG3 LYS A 117 -5.339 -17.235 -17.893 1.00 45.23 H new ATOM 0 HD2 LYS A 117 -6.510 -17.662 -15.951 1.00 4.22 H new ATOM 0 HD3 LYS A 117 -5.202 -16.708 -15.280 1.00 4.22 H new ATOM 0 HE2 LYS A 117 -6.674 -14.659 -15.472 1.00 51.23 H new ATOM 0 HE3 LYS A 117 -7.985 -15.698 -15.995 1.00 51.23 H new ATOM 0 HZ1 LYS A 117 -8.258 -15.403 -13.699 1.00 23.32 H new ATOM 0 HZ2 LYS A 117 -7.617 -16.968 -13.860 1.00 23.32 H new ATOM 0 HZ3 LYS A 117 -6.618 -15.688 -13.363 1.00 23.32 H new ATOM 1912 N ALA A 118 -2.684 -13.050 -18.021 1.00 45.31 N ATOM 1913 CA ALA A 118 -1.371 -12.400 -18.113 1.00 11.25 C ATOM 1914 C ALA A 118 -1.412 -10.897 -17.782 1.00 35.44 C ATOM 1915 O ALA A 118 -0.515 -10.375 -17.115 1.00 23.12 O ATOM 1916 CB ALA A 118 -0.793 -12.604 -19.507 1.00 74.41 C ATOM 0 H ALA A 118 -3.020 -13.433 -18.905 1.00 45.31 H new ATOM 0 HA ALA A 118 -0.734 -12.870 -17.363 1.00 11.25 H new ATOM 0 HB1 ALA A 118 0.182 -12.120 -19.571 1.00 74.41 H new ATOM 0 HB2 ALA A 118 -0.682 -13.671 -19.702 1.00 74.41 H new ATOM 0 HB3 ALA A 118 -1.464 -12.168 -20.247 1.00 74.41 H new ATOM 1922 N ALA A 119 -2.445 -10.204 -18.261 1.00 42.44 N ATOM 1923 CA ALA A 119 -2.538 -8.743 -18.116 1.00 61.21 C ATOM 1924 C ALA A 119 -3.404 -8.322 -16.914 1.00 65.52 C ATOM 1925 O ALA A 119 -2.966 -7.536 -16.071 1.00 12.53 O ATOM 1926 CB ALA A 119 -3.087 -8.127 -19.398 1.00 10.51 C ATOM 0 H ALA A 119 -3.232 -10.627 -18.754 1.00 42.44 H new ATOM 0 HA ALA A 119 -1.530 -8.373 -17.929 1.00 61.21 H new ATOM 0 HB1 ALA A 119 -3.153 -7.045 -19.283 1.00 10.51 H new ATOM 0 HB2 ALA A 119 -2.422 -8.364 -20.229 1.00 10.51 H new ATOM 0 HB3 ALA A 119 -4.079 -8.531 -19.600 1.00 10.51 H new ATOM 1932 N GLU A 120 -4.627 -8.845 -16.842 1.00 75.34 N ATOM 1933 CA GLU A 120 -5.586 -8.465 -15.788 1.00 35.22 C ATOM 1934 C GLU A 120 -5.011 -8.601 -14.363 1.00 75.34 C ATOM 1935 O GLU A 120 -5.297 -7.767 -13.499 1.00 22.40 O ATOM 1936 CB GLU A 120 -6.883 -9.278 -15.932 1.00 55.44 C ATOM 1937 CG GLU A 120 -7.981 -8.580 -16.741 1.00 12.24 C ATOM 1938 CD GLU A 120 -7.545 -8.139 -18.138 1.00 52.34 C ATOM 1939 OE1 GLU A 120 -6.903 -7.074 -18.261 1.00 30.02 O ATOM 1940 OE2 GLU A 120 -7.874 -8.835 -19.120 1.00 74.33 O ATOM 0 H GLU A 120 -4.985 -9.537 -17.501 1.00 75.34 H new ATOM 0 HA GLU A 120 -5.803 -7.406 -15.928 1.00 35.22 H new ATOM 0 HB2 GLU A 120 -6.649 -10.231 -16.406 1.00 55.44 H new ATOM 0 HB3 GLU A 120 -7.269 -9.503 -14.938 1.00 55.44 H new ATOM 0 HG2 GLU A 120 -8.832 -9.254 -16.834 1.00 12.24 H new ATOM 0 HG3 GLU A 120 -8.325 -7.706 -16.187 1.00 12.24 H new ATOM 1947 N GLU A 121 -4.200 -9.633 -14.113 1.00 64.11 N ATOM 1948 CA GLU A 121 -3.565 -9.793 -12.795 1.00 34.21 C ATOM 1949 C GLU A 121 -2.670 -8.588 -12.455 1.00 45.30 C ATOM 1950 O GLU A 121 -2.613 -8.149 -11.303 1.00 61.53 O ATOM 1951 CB GLU A 121 -2.749 -11.091 -12.723 1.00 4.21 C ATOM 1952 CG GLU A 121 -3.589 -12.359 -12.843 1.00 64.02 C ATOM 1953 CD GLU A 121 -2.804 -13.615 -12.491 1.00 45.04 C ATOM 1954 OE1 GLU A 121 -1.860 -13.965 -13.228 1.00 70.12 O ATOM 1955 OE2 GLU A 121 -3.110 -14.247 -11.458 1.00 13.30 O ATOM 0 H GLU A 121 -3.968 -10.360 -14.790 1.00 64.11 H new ATOM 0 HA GLU A 121 -4.366 -9.847 -12.058 1.00 34.21 H new ATOM 0 HB2 GLU A 121 -2.004 -11.084 -13.519 1.00 4.21 H new ATOM 0 HB3 GLU A 121 -2.206 -11.115 -11.778 1.00 4.21 H new ATOM 0 HG2 GLU A 121 -4.455 -12.280 -12.186 1.00 64.02 H new ATOM 0 HG3 GLU A 121 -3.968 -12.445 -13.861 1.00 64.02 H new ATOM 1962 N GLU A 122 -1.981 -8.049 -13.462 1.00 5.10 N ATOM 1963 CA GLU A 122 -1.153 -6.855 -13.269 1.00 63.14 C ATOM 1964 C GLU A 122 -2.036 -5.603 -13.141 1.00 51.33 C ATOM 1965 O GLU A 122 -1.750 -4.711 -12.340 1.00 61.22 O ATOM 1966 CB GLU A 122 -0.166 -6.670 -14.431 1.00 34.13 C ATOM 1967 CG GLU A 122 0.800 -5.504 -14.219 1.00 31.22 C ATOM 1968 CD GLU A 122 1.632 -5.186 -15.448 1.00 13.31 C ATOM 1969 OE1 GLU A 122 2.581 -5.942 -15.747 1.00 33.24 O ATOM 1970 OE2 GLU A 122 1.345 -4.169 -16.115 1.00 40.32 O ATOM 0 H GLU A 122 -1.979 -8.416 -14.414 1.00 5.10 H new ATOM 0 HA GLU A 122 -0.585 -6.992 -12.349 1.00 63.14 H new ATOM 0 HB2 GLU A 122 0.406 -7.588 -14.563 1.00 34.13 H new ATOM 0 HB3 GLU A 122 -0.725 -6.507 -15.352 1.00 34.13 H new ATOM 0 HG2 GLU A 122 0.233 -4.618 -13.933 1.00 31.22 H new ATOM 0 HG3 GLU A 122 1.466 -5.738 -13.388 1.00 31.22 H new ATOM 1977 N MET A 123 -3.112 -5.548 -13.935 1.00 42.32 N ATOM 1978 CA MET A 123 -4.068 -4.430 -13.878 1.00 22.22 C ATOM 1979 C MET A 123 -4.597 -4.226 -12.451 1.00 30.20 C ATOM 1980 O MET A 123 -4.661 -3.099 -11.952 1.00 11.23 O ATOM 1981 CB MET A 123 -5.237 -4.673 -14.846 1.00 63.53 C ATOM 1982 CG MET A 123 -4.819 -4.745 -16.307 1.00 31.14 C ATOM 1983 SD MET A 123 -4.021 -3.228 -16.875 1.00 73.25 S ATOM 1984 CE MET A 123 -3.626 -3.672 -18.566 1.00 61.44 C ATOM 0 H MET A 123 -3.344 -6.263 -14.625 1.00 42.32 H new ATOM 0 HA MET A 123 -3.542 -3.524 -14.179 1.00 22.22 H new ATOM 0 HB2 MET A 123 -5.735 -5.604 -14.574 1.00 63.53 H new ATOM 0 HB3 MET A 123 -5.968 -3.874 -14.726 1.00 63.53 H new ATOM 0 HG2 MET A 123 -4.137 -5.584 -16.445 1.00 31.14 H new ATOM 0 HG3 MET A 123 -5.696 -4.943 -16.923 1.00 31.14 H new ATOM 0 HE1 MET A 123 -3.127 -2.835 -19.055 1.00 61.44 H new ATOM 0 HE2 MET A 123 -2.967 -4.540 -18.570 1.00 61.44 H new ATOM 0 HE3 MET A 123 -4.544 -3.911 -19.103 1.00 61.44 H new ATOM 1994 N LEU A 124 -4.965 -5.326 -11.794 1.00 42.41 N ATOM 1995 CA LEU A 124 -5.400 -5.275 -10.397 1.00 13.43 C ATOM 1996 C LEU A 124 -4.224 -4.961 -9.455 1.00 65.43 C ATOM 1997 O LEU A 124 -4.369 -4.180 -8.521 1.00 52.15 O ATOM 1998 CB LEU A 124 -6.066 -6.598 -9.989 1.00 33.20 C ATOM 1999 CG LEU A 124 -7.400 -6.907 -10.693 1.00 32.35 C ATOM 2000 CD1 LEU A 124 -7.960 -8.247 -10.226 1.00 34.41 C ATOM 2001 CD2 LEU A 124 -8.413 -5.788 -10.444 1.00 22.55 C ATOM 0 H LEU A 124 -4.971 -6.260 -12.204 1.00 42.41 H new ATOM 0 HA LEU A 124 -6.130 -4.470 -10.308 1.00 13.43 H new ATOM 0 HB2 LEU A 124 -5.371 -7.413 -10.190 1.00 33.20 H new ATOM 0 HB3 LEU A 124 -6.237 -6.583 -8.913 1.00 33.20 H new ATOM 0 HG LEU A 124 -7.212 -6.969 -11.765 1.00 32.35 H new ATOM 0 HD11 LEU A 124 -8.903 -8.445 -10.736 1.00 34.41 H new ATOM 0 HD12 LEU A 124 -7.248 -9.039 -10.458 1.00 34.41 H new ATOM 0 HD13 LEU A 124 -8.130 -8.215 -9.150 1.00 34.41 H new ATOM 0 HD21 LEU A 124 -9.349 -6.025 -10.950 1.00 22.55 H new ATOM 0 HD22 LEU A 124 -8.593 -5.692 -9.373 1.00 22.55 H new ATOM 0 HD23 LEU A 124 -8.019 -4.848 -10.831 1.00 22.55 H new ATOM 2013 N TYR A 125 -3.061 -5.569 -9.717 1.00 42.44 N ATOM 2014 CA TYR A 125 -1.849 -5.335 -8.911 1.00 64.42 C ATOM 2015 C TYR A 125 -1.495 -3.837 -8.809 1.00 71.24 C ATOM 2016 O TYR A 125 -1.359 -3.291 -7.711 1.00 21.23 O ATOM 2017 CB TYR A 125 -0.665 -6.123 -9.508 1.00 61.41 C ATOM 2018 CG TYR A 125 0.703 -5.653 -9.033 1.00 23.43 C ATOM 2019 CD1 TYR A 125 1.168 -5.956 -7.756 1.00 22.44 C ATOM 2020 CD2 TYR A 125 1.525 -4.893 -9.865 1.00 40.12 C ATOM 2021 CE1 TYR A 125 2.407 -5.519 -7.326 1.00 70.45 C ATOM 2022 CE2 TYR A 125 2.762 -4.453 -9.439 1.00 54.35 C ATOM 2023 CZ TYR A 125 3.198 -4.767 -8.170 1.00 53.23 C ATOM 2024 OH TYR A 125 4.428 -4.324 -7.744 1.00 24.44 O ATOM 0 H TYR A 125 -2.930 -6.230 -10.483 1.00 42.44 H new ATOM 0 HA TYR A 125 -2.053 -5.686 -7.900 1.00 64.42 H new ATOM 0 HB2 TYR A 125 -0.782 -7.177 -9.257 1.00 61.41 H new ATOM 0 HB3 TYR A 125 -0.705 -6.048 -10.595 1.00 61.41 H new ATOM 0 HD1 TYR A 125 0.551 -6.542 -7.091 1.00 22.44 H new ATOM 0 HD2 TYR A 125 1.188 -4.644 -10.860 1.00 40.12 H new ATOM 0 HE1 TYR A 125 2.754 -5.765 -6.333 1.00 70.45 H new ATOM 0 HE2 TYR A 125 3.385 -3.866 -10.097 1.00 54.35 H new ATOM 0 HH TYR A 125 4.856 -3.810 -8.460 1.00 24.44 H new ATOM 2034 N LYS A 126 -1.347 -3.181 -9.955 1.00 42.51 N ATOM 2035 CA LYS A 126 -0.947 -1.768 -9.997 1.00 23.05 C ATOM 2036 C LYS A 126 -2.006 -0.850 -9.357 1.00 31.50 C ATOM 2037 O LYS A 126 -1.670 0.121 -8.678 1.00 51.51 O ATOM 2038 CB LYS A 126 -0.665 -1.347 -11.449 1.00 53.15 C ATOM 2039 CG LYS A 126 -1.858 -1.502 -12.391 1.00 71.35 C ATOM 2040 CD LYS A 126 -1.451 -1.396 -13.860 1.00 42.11 C ATOM 2041 CE LYS A 126 -0.795 -0.057 -14.184 1.00 34.32 C ATOM 2042 NZ LYS A 126 -0.329 0.000 -15.593 1.00 54.10 N ATOM 0 H LYS A 126 -1.497 -3.601 -10.872 1.00 42.51 H new ATOM 0 HA LYS A 126 -0.035 -1.660 -9.410 1.00 23.05 H new ATOM 0 HB2 LYS A 126 -0.343 -0.306 -11.457 1.00 53.15 H new ATOM 0 HB3 LYS A 126 0.165 -1.940 -11.832 1.00 53.15 H new ATOM 0 HG2 LYS A 126 -2.334 -2.467 -12.216 1.00 71.35 H new ATOM 0 HG3 LYS A 126 -2.599 -0.736 -12.165 1.00 71.35 H new ATOM 0 HD2 LYS A 126 -0.761 -2.204 -14.103 1.00 42.11 H new ATOM 0 HD3 LYS A 126 -2.331 -1.528 -14.489 1.00 42.11 H new ATOM 0 HE2 LYS A 126 -1.505 0.750 -14.003 1.00 34.32 H new ATOM 0 HE3 LYS A 126 0.050 0.106 -13.515 1.00 34.32 H new ATOM 0 HZ1 LYS A 126 0.111 0.924 -15.776 1.00 54.10 H new ATOM 0 HZ2 LYS A 126 0.368 -0.754 -15.759 1.00 54.10 H new ATOM 0 HZ3 LYS A 126 -1.139 -0.130 -16.232 1.00 54.10 H new ATOM 2056 N ASP A 127 -3.281 -1.172 -9.564 1.00 40.05 N ATOM 2057 CA ASP A 127 -4.375 -0.396 -8.971 1.00 44.25 C ATOM 2058 C ASP A 127 -4.525 -0.728 -7.471 1.00 21.14 C ATOM 2059 O ASP A 127 -5.053 0.065 -6.691 1.00 12.25 O ATOM 2060 CB ASP A 127 -5.680 -0.676 -9.728 1.00 41.41 C ATOM 2061 CG ASP A 127 -6.764 0.341 -9.412 1.00 14.14 C ATOM 2062 OD1 ASP A 127 -6.725 1.451 -9.975 1.00 32.34 O ATOM 2063 OD2 ASP A 127 -7.659 0.038 -8.596 1.00 71.44 O ATOM 0 H ASP A 127 -3.584 -1.961 -10.135 1.00 40.05 H new ATOM 0 HA ASP A 127 -4.144 0.666 -9.056 1.00 44.25 H new ATOM 0 HB2 ASP A 127 -5.483 -0.671 -10.800 1.00 41.41 H new ATOM 0 HB3 ASP A 127 -6.037 -1.674 -9.474 1.00 41.41 H new ATOM 2068 N MET A 128 -4.046 -1.912 -7.085 1.00 2.22 N ATOM 2069 CA MET A 128 -4.031 -2.342 -5.680 1.00 65.22 C ATOM 2070 C MET A 128 -3.003 -1.524 -4.883 1.00 72.41 C ATOM 2071 O MET A 128 -3.276 -1.060 -3.774 1.00 2.13 O ATOM 2072 CB MET A 128 -3.686 -3.836 -5.605 1.00 62.10 C ATOM 2073 CG MET A 128 -4.003 -4.489 -4.271 1.00 51.22 C ATOM 2074 SD MET A 128 -5.770 -4.483 -3.910 1.00 52.21 S ATOM 2075 CE MET A 128 -5.853 -5.739 -2.637 1.00 44.14 C ATOM 0 H MET A 128 -3.659 -2.599 -7.732 1.00 2.22 H new ATOM 0 HA MET A 128 -5.017 -2.177 -5.246 1.00 65.22 H new ATOM 0 HB2 MET A 128 -4.229 -4.361 -6.391 1.00 62.10 H new ATOM 0 HB3 MET A 128 -2.623 -3.962 -5.813 1.00 62.10 H new ATOM 0 HG2 MET A 128 -3.639 -5.516 -4.276 1.00 51.22 H new ATOM 0 HG3 MET A 128 -3.470 -3.966 -3.477 1.00 51.22 H new ATOM 0 HE1 MET A 128 -6.894 -5.918 -2.370 1.00 44.14 H new ATOM 0 HE2 MET A 128 -5.410 -6.663 -3.008 1.00 44.14 H new ATOM 0 HE3 MET A 128 -5.306 -5.402 -1.757 1.00 44.14 H new ATOM 2085 N GLN A 129 -1.814 -1.364 -5.469 1.00 23.13 N ATOM 2086 CA GLN A 129 -0.764 -0.506 -4.904 1.00 44.44 C ATOM 2087 C GLN A 129 -1.297 0.913 -4.670 1.00 2.24 C ATOM 2088 O GLN A 129 -0.997 1.546 -3.652 1.00 41.42 O ATOM 2089 CB GLN A 129 0.443 -0.458 -5.856 1.00 32.12 C ATOM 2090 CG GLN A 129 1.543 0.523 -5.439 1.00 34.02 C ATOM 2091 CD GLN A 129 2.250 0.126 -4.153 1.00 12.50 C ATOM 2092 OE1 GLN A 129 3.248 -0.588 -4.175 1.00 14.35 O ATOM 2093 NE2 GLN A 129 1.747 0.594 -3.026 1.00 23.41 N ATOM 0 H GLN A 129 -1.551 -1.821 -6.342 1.00 23.13 H new ATOM 0 HA GLN A 129 -0.452 -0.925 -3.947 1.00 44.44 H new ATOM 0 HB2 GLN A 129 0.873 -1.457 -5.928 1.00 32.12 H new ATOM 0 HB3 GLN A 129 0.093 -0.189 -6.853 1.00 32.12 H new ATOM 0 HG2 GLN A 129 2.277 0.596 -6.241 1.00 34.02 H new ATOM 0 HG3 GLN A 129 1.107 1.514 -5.314 1.00 34.02 H new ATOM 0 HE21 GLN A 129 0.916 1.185 -3.045 1.00 23.41 H new ATOM 0 HE22 GLN A 129 2.189 0.365 -2.136 1.00 23.41 H new ATOM 2102 N LYS A 130 -2.090 1.397 -5.628 1.00 71.35 N ATOM 2103 CA LYS A 130 -2.723 2.716 -5.540 1.00 13.21 C ATOM 2104 C LYS A 130 -3.478 2.886 -4.212 1.00 13.34 C ATOM 2105 O LYS A 130 -3.151 3.759 -3.411 1.00 21.22 O ATOM 2106 CB LYS A 130 -3.696 2.906 -6.711 1.00 0.43 C ATOM 2107 CG LYS A 130 -4.348 4.287 -6.767 1.00 72.14 C ATOM 2108 CD LYS A 130 -5.509 4.317 -7.759 1.00 72.45 C ATOM 2109 CE LYS A 130 -6.666 3.436 -7.295 1.00 71.32 C ATOM 2110 NZ LYS A 130 -7.754 3.357 -8.303 1.00 42.43 N ATOM 0 H LYS A 130 -2.311 0.888 -6.484 1.00 71.35 H new ATOM 0 HA LYS A 130 -1.937 3.470 -5.586 1.00 13.21 H new ATOM 0 HB2 LYS A 130 -3.162 2.731 -7.645 1.00 0.43 H new ATOM 0 HB3 LYS A 130 -4.478 2.150 -6.645 1.00 0.43 H new ATOM 0 HG2 LYS A 130 -4.708 4.561 -5.775 1.00 72.14 H new ATOM 0 HG3 LYS A 130 -3.604 5.031 -7.053 1.00 72.14 H new ATOM 0 HD2 LYS A 130 -5.858 5.342 -7.881 1.00 72.45 H new ATOM 0 HD3 LYS A 130 -5.163 3.980 -8.736 1.00 72.45 H new ATOM 0 HE2 LYS A 130 -6.295 2.433 -7.085 1.00 71.32 H new ATOM 0 HE3 LYS A 130 -7.067 3.829 -6.361 1.00 71.32 H new ATOM 0 HZ1 LYS A 130 -8.578 2.878 -7.887 1.00 42.43 H new ATOM 0 HZ2 LYS A 130 -8.024 4.317 -8.598 1.00 42.43 H new ATOM 0 HZ3 LYS A 130 -7.423 2.821 -9.130 1.00 42.43 H new ATOM 2124 N ASP A 131 -4.481 2.035 -3.982 1.00 33.40 N ATOM 2125 CA ASP A 131 -5.281 2.086 -2.749 1.00 32.44 C ATOM 2126 C ASP A 131 -4.391 2.160 -1.501 1.00 51.51 C ATOM 2127 O ASP A 131 -4.552 3.042 -0.658 1.00 42.10 O ATOM 2128 CB ASP A 131 -6.183 0.849 -2.647 1.00 23.54 C ATOM 2129 CG ASP A 131 -7.151 0.712 -3.807 1.00 51.33 C ATOM 2130 OD1 ASP A 131 -7.306 1.667 -4.593 1.00 64.41 O ATOM 2131 OD2 ASP A 131 -7.771 -0.364 -3.929 1.00 72.34 O ATOM 0 H ASP A 131 -4.761 1.301 -4.632 1.00 33.40 H new ATOM 0 HA ASP A 131 -5.891 2.988 -2.796 1.00 32.44 H new ATOM 0 HB2 ASP A 131 -5.559 -0.043 -2.597 1.00 23.54 H new ATOM 0 HB3 ASP A 131 -6.748 0.896 -1.716 1.00 23.54 H new ATOM 2136 N ALA A 132 -3.441 1.232 -1.407 1.00 63.52 N ATOM 2137 CA ALA A 132 -2.540 1.141 -0.255 1.00 40.54 C ATOM 2138 C ALA A 132 -1.799 2.460 0.024 1.00 55.24 C ATOM 2139 O ALA A 132 -1.819 2.969 1.147 1.00 3.44 O ATOM 2140 CB ALA A 132 -1.538 0.018 -0.479 1.00 62.41 C ATOM 0 H ALA A 132 -3.273 0.524 -2.122 1.00 63.52 H new ATOM 0 HA ALA A 132 -3.152 0.929 0.622 1.00 40.54 H new ATOM 0 HB1 ALA A 132 -0.868 -0.049 0.379 1.00 62.41 H new ATOM 0 HB2 ALA A 132 -2.070 -0.926 -0.598 1.00 62.41 H new ATOM 0 HB3 ALA A 132 -0.957 0.223 -1.378 1.00 62.41 H new ATOM 2146 N VAL A 133 -1.155 3.011 -1.002 1.00 24.44 N ATOM 2147 CA VAL A 133 -0.334 4.213 -0.832 1.00 65.02 C ATOM 2148 C VAL A 133 -1.193 5.474 -0.607 1.00 42.21 C ATOM 2149 O VAL A 133 -0.834 6.346 0.187 1.00 60.14 O ATOM 2150 CB VAL A 133 0.625 4.418 -2.038 1.00 2.35 C ATOM 2151 CG1 VAL A 133 -0.140 4.728 -3.324 1.00 51.20 C ATOM 2152 CG2 VAL A 133 1.651 5.506 -1.735 1.00 2.54 C ATOM 0 H VAL A 133 -1.183 2.649 -1.955 1.00 24.44 H new ATOM 0 HA VAL A 133 0.267 4.058 0.064 1.00 65.02 H new ATOM 0 HB VAL A 133 1.157 3.480 -2.197 1.00 2.35 H new ATOM 0 HG11 VAL A 133 0.566 4.865 -4.143 1.00 51.20 H new ATOM 0 HG12 VAL A 133 -0.811 3.901 -3.557 1.00 51.20 H new ATOM 0 HG13 VAL A 133 -0.722 5.640 -3.190 1.00 51.20 H new ATOM 0 HG21 VAL A 133 2.311 5.632 -2.593 1.00 2.54 H new ATOM 0 HG22 VAL A 133 1.136 6.445 -1.532 1.00 2.54 H new ATOM 0 HG23 VAL A 133 2.239 5.219 -0.863 1.00 2.54 H new ATOM 2162 N GLN A 134 -2.341 5.557 -1.287 1.00 32.50 N ATOM 2163 CA GLN A 134 -3.263 6.692 -1.111 1.00 25.11 C ATOM 2164 C GLN A 134 -3.870 6.689 0.304 1.00 24.04 C ATOM 2165 O GLN A 134 -4.065 7.744 0.914 1.00 31.21 O ATOM 2166 CB GLN A 134 -4.378 6.655 -2.170 1.00 65.00 C ATOM 2167 CG GLN A 134 -3.870 6.667 -3.612 1.00 2.51 C ATOM 2168 CD GLN A 134 -3.088 7.920 -3.975 1.00 60.21 C ATOM 2169 OE1 GLN A 134 -3.346 9.005 -3.467 1.00 33.04 O ATOM 2170 NE2 GLN A 134 -2.122 7.781 -4.859 1.00 24.21 N ATOM 0 H GLN A 134 -2.656 4.859 -1.961 1.00 32.50 H new ATOM 0 HA GLN A 134 -2.693 7.612 -1.239 1.00 25.11 H new ATOM 0 HB2 GLN A 134 -4.981 5.760 -2.016 1.00 65.00 H new ATOM 0 HB3 GLN A 134 -5.035 7.512 -2.020 1.00 65.00 H new ATOM 0 HG2 GLN A 134 -3.236 5.795 -3.772 1.00 2.51 H new ATOM 0 HG3 GLN A 134 -4.720 6.571 -4.288 1.00 2.51 H new ATOM 0 HE21 GLN A 134 -1.930 6.865 -5.265 1.00 24.21 H new ATOM 0 HE22 GLN A 134 -1.566 8.589 -5.138 1.00 24.21 H new ATOM 2179 N GLN A 135 -4.162 5.493 0.821 1.00 24.42 N ATOM 2180 CA GLN A 135 -4.622 5.333 2.207 1.00 11.12 C ATOM 2181 C GLN A 135 -3.601 5.912 3.195 1.00 14.33 C ATOM 2182 O GLN A 135 -3.927 6.778 4.007 1.00 4.35 O ATOM 2183 CB GLN A 135 -4.870 3.848 2.524 1.00 14.32 C ATOM 2184 CG GLN A 135 -6.147 3.280 1.911 1.00 15.44 C ATOM 2185 CD GLN A 135 -7.402 3.667 2.680 1.00 12.12 C ATOM 2186 OE1 GLN A 135 -7.467 4.711 3.321 1.00 41.34 O ATOM 2187 NE2 GLN A 135 -8.416 2.827 2.615 1.00 22.41 N ATOM 0 H GLN A 135 -4.089 4.618 0.301 1.00 24.42 H new ATOM 0 HA GLN A 135 -5.558 5.881 2.314 1.00 11.12 H new ATOM 0 HB2 GLN A 135 -4.020 3.266 2.168 1.00 14.32 H new ATOM 0 HB3 GLN A 135 -4.913 3.722 3.606 1.00 14.32 H new ATOM 0 HG2 GLN A 135 -6.236 3.630 0.883 1.00 15.44 H new ATOM 0 HG3 GLN A 135 -6.072 2.193 1.873 1.00 15.44 H new ATOM 0 HE21 GLN A 135 -8.332 1.967 2.074 1.00 22.41 H new ATOM 0 HE22 GLN A 135 -9.285 3.038 3.106 1.00 22.41 H new ATOM 2196 N ILE A 136 -2.356 5.435 3.107 1.00 72.24 N ATOM 2197 CA ILE A 136 -1.277 5.917 3.977 1.00 23.43 C ATOM 2198 C ILE A 136 -1.121 7.445 3.876 1.00 73.11 C ATOM 2199 O ILE A 136 -1.017 8.138 4.889 1.00 55.34 O ATOM 2200 CB ILE A 136 0.077 5.238 3.631 1.00 50.22 C ATOM 2201 CG1 ILE A 136 -0.042 3.707 3.752 1.00 0.24 C ATOM 2202 CG2 ILE A 136 1.196 5.770 4.531 1.00 10.40 C ATOM 2203 CD1 ILE A 136 1.218 2.957 3.358 1.00 74.51 C ATOM 0 H ILE A 136 -2.069 4.716 2.443 1.00 72.24 H new ATOM 0 HA ILE A 136 -1.552 5.654 4.998 1.00 23.43 H new ATOM 0 HB ILE A 136 0.330 5.481 2.599 1.00 50.22 H new ATOM 0 HG12 ILE A 136 -0.297 3.453 4.781 1.00 0.24 H new ATOM 0 HG13 ILE A 136 -0.866 3.366 3.126 1.00 0.24 H new ATOM 0 HG21 ILE A 136 2.135 5.281 4.272 1.00 10.40 H new ATOM 0 HG22 ILE A 136 1.296 6.846 4.390 1.00 10.40 H new ATOM 0 HG23 ILE A 136 0.955 5.562 5.573 1.00 10.40 H new ATOM 0 HD11 ILE A 136 1.054 1.885 3.471 1.00 74.51 H new ATOM 0 HD12 ILE A 136 1.464 3.179 2.320 1.00 74.51 H new ATOM 0 HD13 ILE A 136 2.042 3.267 4.001 1.00 74.51 H new ATOM 2215 N LEU A 137 -1.121 7.959 2.646 1.00 62.14 N ATOM 2216 CA LEU A 137 -1.027 9.406 2.404 1.00 22.25 C ATOM 2217 C LEU A 137 -2.126 10.176 3.160 1.00 63.11 C ATOM 2218 O LEU A 137 -1.857 11.185 3.821 1.00 63.35 O ATOM 2219 CB LEU A 137 -1.132 9.695 0.899 1.00 21.43 C ATOM 2220 CG LEU A 137 -0.994 11.175 0.502 1.00 1.30 C ATOM 2221 CD1 LEU A 137 0.397 11.699 0.848 1.00 72.32 C ATOM 2222 CD2 LEU A 137 -1.292 11.367 -0.984 1.00 42.43 C ATOM 0 H LEU A 137 -1.185 7.397 1.797 1.00 62.14 H new ATOM 0 HA LEU A 137 -0.060 9.745 2.775 1.00 22.25 H new ATOM 0 HB2 LEU A 137 -0.361 9.124 0.382 1.00 21.43 H new ATOM 0 HB3 LEU A 137 -2.094 9.328 0.542 1.00 21.43 H new ATOM 0 HG LEU A 137 -1.725 11.750 1.071 1.00 1.30 H new ATOM 0 HD11 LEU A 137 0.473 12.747 0.559 1.00 72.32 H new ATOM 0 HD12 LEU A 137 0.565 11.605 1.921 1.00 72.32 H new ATOM 0 HD13 LEU A 137 1.148 11.119 0.311 1.00 72.32 H new ATOM 0 HD21 LEU A 137 -1.188 12.421 -1.243 1.00 42.43 H new ATOM 0 HD22 LEU A 137 -0.591 10.778 -1.575 1.00 42.43 H new ATOM 0 HD23 LEU A 137 -2.310 11.040 -1.196 1.00 42.43 H new ATOM 2234 N ARG A 138 -3.365 9.695 3.057 1.00 31.32 N ATOM 2235 CA ARG A 138 -4.499 10.311 3.755 1.00 70.33 C ATOM 2236 C ARG A 138 -4.331 10.233 5.284 1.00 34.12 C ATOM 2237 O ARG A 138 -4.500 11.232 5.981 1.00 14.10 O ATOM 2238 CB ARG A 138 -5.819 9.640 3.328 1.00 33.40 C ATOM 2239 CG ARG A 138 -7.049 10.115 4.106 1.00 31.03 C ATOM 2240 CD ARG A 138 -7.294 11.619 3.959 1.00 64.21 C ATOM 2241 NE ARG A 138 -7.656 12.004 2.592 1.00 10.24 N ATOM 2242 CZ ARG A 138 -7.926 13.229 2.221 1.00 50.23 C ATOM 2243 NH1 ARG A 138 -7.849 14.207 3.065 1.00 1.22 N ATOM 2244 NH2 ARG A 138 -8.266 13.476 1.000 1.00 21.02 N ATOM 0 H ARG A 138 -3.612 8.879 2.496 1.00 31.32 H new ATOM 0 HA ARG A 138 -4.529 11.364 3.476 1.00 70.33 H new ATOM 0 HB2 ARG A 138 -5.981 9.827 2.266 1.00 33.40 H new ATOM 0 HB3 ARG A 138 -5.721 8.561 3.450 1.00 33.40 H new ATOM 0 HG2 ARG A 138 -7.927 9.572 3.757 1.00 31.03 H new ATOM 0 HG3 ARG A 138 -6.923 9.873 5.161 1.00 31.03 H new ATOM 0 HD2 ARG A 138 -8.090 11.921 4.640 1.00 64.21 H new ATOM 0 HD3 ARG A 138 -6.396 12.160 4.258 1.00 64.21 H new ATOM 0 HE ARG A 138 -7.700 11.270 1.885 1.00 10.24 H new ATOM 0 HH11 ARG A 138 -7.575 14.027 4.031 1.00 1.22 H new ATOM 0 HH12 ARG A 138 -8.062 15.158 2.764 1.00 1.22 H new ATOM 0 HH21 ARG A 138 -8.324 12.715 0.323 1.00 21.02 H new ATOM 0 HH22 ARG A 138 -8.476 14.432 0.713 1.00 21.02 H new ATOM 2258 N GLN A 139 -3.988 9.052 5.794 1.00 42.22 N ATOM 2259 CA GLN A 139 -3.863 8.837 7.244 1.00 2.23 C ATOM 2260 C GLN A 139 -2.787 9.744 7.868 1.00 65.44 C ATOM 2261 O GLN A 139 -3.053 10.466 8.831 1.00 42.23 O ATOM 2262 CB GLN A 139 -3.546 7.361 7.547 1.00 40.41 C ATOM 2263 CG GLN A 139 -4.575 6.375 6.994 1.00 42.41 C ATOM 2264 CD GLN A 139 -5.996 6.668 7.453 1.00 4.11 C ATOM 2265 OE1 GLN A 139 -6.221 7.181 8.543 1.00 43.00 O ATOM 2266 NE2 GLN A 139 -6.965 6.347 6.619 1.00 42.30 N ATOM 0 H GLN A 139 -3.791 8.226 5.229 1.00 42.22 H new ATOM 0 HA GLN A 139 -4.822 9.098 7.692 1.00 2.23 H new ATOM 0 HB2 GLN A 139 -2.567 7.118 7.133 1.00 40.41 H new ATOM 0 HB3 GLN A 139 -3.477 7.230 8.627 1.00 40.41 H new ATOM 0 HG2 GLN A 139 -4.540 6.397 5.905 1.00 42.41 H new ATOM 0 HG3 GLN A 139 -4.302 5.365 7.301 1.00 42.41 H new ATOM 0 HE21 GLN A 139 -6.743 5.921 5.719 1.00 42.30 H new ATOM 0 HE22 GLN A 139 -7.937 6.524 6.874 1.00 42.30 H new ATOM 2275 N VAL A 140 -1.580 9.717 7.303 1.00 55.35 N ATOM 2276 CA VAL A 140 -0.450 10.492 7.838 1.00 1.15 C ATOM 2277 C VAL A 140 -0.740 12.005 7.866 1.00 32.25 C ATOM 2278 O VAL A 140 -0.285 12.714 8.760 1.00 45.45 O ATOM 2279 CB VAL A 140 0.847 10.230 7.026 1.00 60.31 C ATOM 2280 CG1 VAL A 140 2.016 11.058 7.560 1.00 54.02 C ATOM 2281 CG2 VAL A 140 1.195 8.742 7.038 1.00 54.00 C ATOM 0 H VAL A 140 -1.355 9.167 6.474 1.00 55.35 H new ATOM 0 HA VAL A 140 -0.307 10.154 8.864 1.00 1.15 H new ATOM 0 HB VAL A 140 0.663 10.538 5.997 1.00 60.31 H new ATOM 0 HG11 VAL A 140 2.908 10.851 6.969 1.00 54.02 H new ATOM 0 HG12 VAL A 140 1.773 12.118 7.490 1.00 54.02 H new ATOM 0 HG13 VAL A 140 2.202 10.796 8.602 1.00 54.02 H new ATOM 0 HG21 VAL A 140 2.107 8.577 6.464 1.00 54.00 H new ATOM 0 HG22 VAL A 140 1.348 8.412 8.066 1.00 54.00 H new ATOM 0 HG23 VAL A 140 0.378 8.174 6.593 1.00 54.00 H new ATOM 2291 N SER A 141 -1.500 12.495 6.895 1.00 21.32 N ATOM 2292 CA SER A 141 -1.811 13.932 6.816 1.00 21.13 C ATOM 2293 C SER A 141 -3.055 14.307 7.641 1.00 74.10 C ATOM 2294 O SER A 141 -3.124 15.397 8.214 1.00 52.11 O ATOM 2295 CB SER A 141 -2.013 14.360 5.351 1.00 51.21 C ATOM 2296 OG SER A 141 -3.055 13.624 4.725 1.00 62.31 O ATOM 0 H SER A 141 -1.914 11.931 6.153 1.00 21.32 H new ATOM 0 HA SER A 141 -0.959 14.464 7.239 1.00 21.13 H new ATOM 0 HB2 SER A 141 -2.246 15.424 5.312 1.00 51.21 H new ATOM 0 HB3 SER A 141 -1.084 14.216 4.799 1.00 51.21 H new ATOM 0 HG SER A 141 -2.700 12.773 4.392 1.00 62.31 H new ATOM 2302 N ALA A 142 -4.031 13.404 7.712 1.00 74.44 N ATOM 2303 CA ALA A 142 -5.330 13.716 8.329 1.00 12.24 C ATOM 2304 C ALA A 142 -5.425 13.339 9.822 1.00 32.44 C ATOM 2305 O ALA A 142 -6.333 13.803 10.511 1.00 32.23 O ATOM 2306 CB ALA A 142 -6.451 13.039 7.551 1.00 13.22 C ATOM 0 H ALA A 142 -3.953 12.452 7.353 1.00 74.44 H new ATOM 0 HA ALA A 142 -5.433 14.800 8.284 1.00 12.24 H new ATOM 0 HB1 ALA A 142 -7.409 13.275 8.014 1.00 13.22 H new ATOM 0 HB2 ALA A 142 -6.447 13.397 6.522 1.00 13.22 H new ATOM 0 HB3 ALA A 142 -6.300 11.960 7.560 1.00 13.22 H new ATOM 2312 N PHE A 143 -4.501 12.518 10.329 1.00 73.34 N ATOM 2313 CA PHE A 143 -4.567 12.061 11.735 1.00 33.44 C ATOM 2314 C PHE A 143 -4.577 13.247 12.721 1.00 22.21 C ATOM 2315 O PHE A 143 -5.129 13.157 13.818 1.00 54.03 O ATOM 2316 CB PHE A 143 -3.395 11.111 12.066 1.00 4.03 C ATOM 2317 CG PHE A 143 -2.112 11.808 12.467 1.00 22.35 C ATOM 2318 CD1 PHE A 143 -1.291 12.392 11.515 1.00 0.44 C ATOM 2319 CD2 PHE A 143 -1.728 11.875 13.802 1.00 42.23 C ATOM 2320 CE1 PHE A 143 -0.118 13.026 11.883 1.00 34.31 C ATOM 2321 CE2 PHE A 143 -0.555 12.508 14.172 1.00 74.44 C ATOM 2322 CZ PHE A 143 0.250 13.084 13.211 1.00 22.21 C ATOM 0 H PHE A 143 -3.706 12.156 9.802 1.00 73.34 H new ATOM 0 HA PHE A 143 -5.505 11.517 11.849 1.00 33.44 H new ATOM 0 HB2 PHE A 143 -3.700 10.447 12.875 1.00 4.03 H new ATOM 0 HB3 PHE A 143 -3.196 10.484 11.197 1.00 4.03 H new ATOM 0 HD1 PHE A 143 -1.571 12.351 10.473 1.00 0.44 H new ATOM 0 HD2 PHE A 143 -2.354 11.427 14.560 1.00 42.23 H new ATOM 0 HE1 PHE A 143 0.511 13.476 11.129 1.00 34.31 H new ATOM 0 HE2 PHE A 143 -0.270 12.551 15.213 1.00 74.44 H new ATOM 0 HZ PHE A 143 1.166 13.579 13.498 1.00 22.21 H new ATOM 2332 N THR A 144 -3.967 14.360 12.312 1.00 2.01 N ATOM 2333 CA THR A 144 -3.867 15.565 13.155 1.00 15.34 C ATOM 2334 C THR A 144 -5.155 16.414 13.118 1.00 34.45 C ATOM 2335 O THR A 144 -5.234 17.474 13.741 1.00 12.03 O ATOM 2336 CB THR A 144 -2.661 16.443 12.721 1.00 34.32 C ATOM 2337 OG1 THR A 144 -2.546 17.604 13.559 1.00 62.54 O ATOM 2338 CG2 THR A 144 -2.796 16.877 11.263 1.00 75.31 C ATOM 0 H THR A 144 -3.530 14.458 11.396 1.00 2.01 H new ATOM 0 HA THR A 144 -3.719 15.217 14.177 1.00 15.34 H new ATOM 0 HB THR A 144 -1.761 15.838 12.827 1.00 34.32 H new ATOM 0 HG1 THR A 144 -3.414 17.799 13.969 1.00 62.54 H new ATOM 0 HG21 THR A 144 -1.939 17.490 10.985 1.00 75.31 H new ATOM 0 HG22 THR A 144 -2.834 15.995 10.623 1.00 75.31 H new ATOM 0 HG23 THR A 144 -3.711 17.455 11.139 1.00 75.31 H new ATOM 2346 N SER A 145 -6.168 15.937 12.395 1.00 24.30 N ATOM 2347 CA SER A 145 -7.452 16.654 12.278 1.00 23.41 C ATOM 2348 C SER A 145 -8.639 15.725 12.580 1.00 4.23 C ATOM 2349 O SER A 145 -8.715 14.609 12.060 1.00 1.41 O ATOM 2350 CB SER A 145 -7.616 17.245 10.868 1.00 21.12 C ATOM 2351 OG SER A 145 -7.730 16.224 9.884 1.00 53.32 O ATOM 0 H SER A 145 -6.131 15.058 11.879 1.00 24.30 H new ATOM 0 HA SER A 145 -7.442 17.461 13.011 1.00 23.41 H new ATOM 0 HB2 SER A 145 -8.502 17.880 10.839 1.00 21.12 H new ATOM 0 HB3 SER A 145 -6.761 17.880 10.637 1.00 21.12 H new ATOM 0 HG SER A 145 -7.266 15.418 10.193 1.00 53.32 H new ATOM 2357 N ALA A 146 -9.566 16.186 13.418 1.00 5.42 N ATOM 2358 CA ALA A 146 -10.744 15.393 13.784 1.00 1.13 C ATOM 2359 C ALA A 146 -11.808 15.398 12.673 1.00 31.12 C ATOM 2360 O ALA A 146 -12.246 14.340 12.215 1.00 72.43 O ATOM 2361 CB ALA A 146 -11.337 15.912 15.089 1.00 2.10 C ATOM 0 H ALA A 146 -9.526 17.105 13.858 1.00 5.42 H new ATOM 0 HA ALA A 146 -10.420 14.361 13.919 1.00 1.13 H new ATOM 0 HB1 ALA A 146 -12.211 15.317 15.353 1.00 2.10 H new ATOM 0 HB2 ALA A 146 -10.593 15.836 15.882 1.00 2.10 H new ATOM 0 HB3 ALA A 146 -11.631 16.954 14.966 1.00 2.10 H new ATOM 2367 N GLY A 147 -12.220 16.594 12.251 1.00 72.13 N ATOM 2368 CA GLY A 147 -13.219 16.727 11.191 1.00 43.03 C ATOM 2369 C GLY A 147 -14.590 16.158 11.554 1.00 52.04 C ATOM 2370 O GLY A 147 -15.359 15.760 10.676 1.00 62.33 O ATOM 0 H GLY A 147 -11.879 17.480 12.625 1.00 72.13 H new ATOM 0 HA2 GLY A 147 -13.330 17.782 10.940 1.00 43.03 H new ATOM 0 HA3 GLY A 147 -12.853 16.223 10.296 1.00 43.03 H new ATOM 2374 N LEU A 148 -14.902 16.120 12.848 1.00 42.12 N ATOM 2375 CA LEU A 148 -16.186 15.584 13.316 1.00 62.04 C ATOM 2376 C LEU A 148 -17.349 16.567 13.046 1.00 53.34 C ATOM 2377 O LEU A 148 -17.838 17.255 13.943 1.00 2.12 O ATOM 2378 CB LEU A 148 -16.116 15.183 14.813 1.00 23.34 C ATOM 2379 CG LEU A 148 -16.027 16.320 15.862 1.00 40.33 C ATOM 2380 CD1 LEU A 148 -16.112 15.749 17.276 1.00 44.20 C ATOM 2381 CD2 LEU A 148 -14.753 17.152 15.702 1.00 34.02 C ATOM 0 H LEU A 148 -14.288 16.452 13.592 1.00 42.12 H new ATOM 0 HA LEU A 148 -16.390 14.680 12.742 1.00 62.04 H new ATOM 0 HB2 LEU A 148 -16.998 14.585 15.041 1.00 23.34 H new ATOM 0 HB3 LEU A 148 -15.249 14.536 14.946 1.00 23.34 H new ATOM 0 HG LEU A 148 -16.875 16.984 15.692 1.00 40.33 H new ATOM 0 HD11 LEU A 148 -16.048 16.561 18.001 1.00 44.20 H new ATOM 0 HD12 LEU A 148 -17.060 15.225 17.401 1.00 44.20 H new ATOM 0 HD13 LEU A 148 -15.289 15.053 17.437 1.00 44.20 H new ATOM 0 HD21 LEU A 148 -14.734 17.937 16.458 1.00 34.02 H new ATOM 0 HD22 LEU A 148 -13.881 16.509 15.824 1.00 34.02 H new ATOM 0 HD23 LEU A 148 -14.735 17.604 14.710 1.00 34.02 H new ATOM 2393 N GLU A 149 -17.778 16.637 11.788 1.00 24.44 N ATOM 2394 CA GLU A 149 -18.866 17.541 11.392 1.00 21.03 C ATOM 2395 C GLU A 149 -20.230 17.058 11.924 1.00 23.43 C ATOM 2396 O GLU A 149 -20.758 17.601 12.898 1.00 21.33 O ATOM 2397 CB GLU A 149 -18.915 17.680 9.862 1.00 74.44 C ATOM 2398 CG GLU A 149 -17.595 18.115 9.225 1.00 73.33 C ATOM 2399 CD GLU A 149 -17.103 19.463 9.730 1.00 10.42 C ATOM 2400 OE1 GLU A 149 -17.714 20.496 9.376 1.00 62.44 O ATOM 2401 OE2 GLU A 149 -16.108 19.498 10.486 1.00 31.04 O ATOM 0 H GLU A 149 -17.393 16.082 11.024 1.00 24.44 H new ATOM 0 HA GLU A 149 -18.661 18.516 11.835 1.00 21.03 H new ATOM 0 HB2 GLU A 149 -19.214 16.724 9.432 1.00 74.44 H new ATOM 0 HB3 GLU A 149 -19.687 18.403 9.600 1.00 74.44 H new ATOM 0 HG2 GLU A 149 -16.835 17.359 9.426 1.00 73.33 H new ATOM 0 HG3 GLU A 149 -17.719 18.163 8.143 1.00 73.33 H new ATOM 2408 N HIS A 150 -20.795 16.034 11.284 1.00 63.54 N ATOM 2409 CA HIS A 150 -22.098 15.481 11.683 1.00 45.30 C ATOM 2410 C HIS A 150 -21.995 13.971 11.950 1.00 4.11 C ATOM 2411 O HIS A 150 -22.003 13.164 11.019 1.00 35.31 O ATOM 2412 CB HIS A 150 -23.140 15.762 10.585 1.00 24.54 C ATOM 2413 CG HIS A 150 -24.519 15.247 10.886 1.00 61.20 C ATOM 2414 ND1 HIS A 150 -25.491 16.012 11.494 1.00 25.41 N ATOM 2415 CD2 HIS A 150 -25.093 14.041 10.648 1.00 12.42 C ATOM 2416 CE1 HIS A 150 -26.596 15.303 11.620 1.00 14.23 C ATOM 2417 NE2 HIS A 150 -26.384 14.107 11.112 1.00 24.52 N ATOM 0 H HIS A 150 -20.372 15.566 10.483 1.00 63.54 H new ATOM 0 HA HIS A 150 -22.413 15.965 12.608 1.00 45.30 H new ATOM 0 HB2 HIS A 150 -23.196 16.838 10.422 1.00 24.54 H new ATOM 0 HB3 HIS A 150 -22.795 15.316 9.652 1.00 24.54 H new ATOM 0 HD2 HIS A 150 -24.623 13.188 10.181 1.00 12.42 H new ATOM 0 HE1 HIS A 150 -27.519 15.646 12.065 1.00 14.23 H new ATOM 0 HE2 HIS A 150 -27.068 13.352 11.070 1.00 24.52 H new ATOM 2426 N HIS A 151 -21.902 13.588 13.223 1.00 63.11 N ATOM 2427 CA HIS A 151 -21.759 12.170 13.587 1.00 33.42 C ATOM 2428 C HIS A 151 -23.126 11.508 13.836 1.00 32.22 C ATOM 2429 O HIS A 151 -23.838 11.849 14.783 1.00 64.21 O ATOM 2430 CB HIS A 151 -20.838 12.000 14.812 1.00 71.15 C ATOM 2431 CG HIS A 151 -21.300 12.712 16.051 1.00 62.30 C ATOM 2432 ND1 HIS A 151 -22.222 12.180 16.930 1.00 11.42 N ATOM 2433 CD2 HIS A 151 -20.955 13.918 16.563 1.00 72.21 C ATOM 2434 CE1 HIS A 151 -22.422 13.022 17.922 1.00 3.13 C ATOM 2435 NE2 HIS A 151 -21.667 14.081 17.723 1.00 73.24 N ATOM 0 H HIS A 151 -21.922 14.229 14.016 1.00 63.11 H new ATOM 0 HA HIS A 151 -21.295 11.664 12.740 1.00 33.42 H new ATOM 0 HB2 HIS A 151 -20.745 10.937 15.034 1.00 71.15 H new ATOM 0 HB3 HIS A 151 -19.842 12.360 14.553 1.00 71.15 H new ATOM 0 HD2 HIS A 151 -20.252 14.619 16.138 1.00 72.21 H new ATOM 0 HE1 HIS A 151 -23.091 12.870 18.756 1.00 3.13 H new ATOM 0 HE2 HIS A 151 -21.619 14.895 18.336 1.00 73.24 H new ATOM 2444 N HIS A 152 -23.493 10.580 12.958 1.00 62.12 N ATOM 2445 CA HIS A 152 -24.739 9.814 13.093 1.00 61.30 C ATOM 2446 C HIS A 152 -24.480 8.315 12.886 1.00 13.22 C ATOM 2447 O HIS A 152 -25.104 7.468 13.526 1.00 52.04 O ATOM 2448 CB HIS A 152 -25.789 10.311 12.090 1.00 71.24 C ATOM 2449 CG HIS A 152 -27.110 9.608 12.207 1.00 71.31 C ATOM 2450 ND1 HIS A 152 -28.068 9.953 13.137 1.00 72.34 N ATOM 2451 CD2 HIS A 152 -27.627 8.564 11.515 1.00 23.11 C ATOM 2452 CE1 HIS A 152 -29.109 9.153 13.014 1.00 45.43 C ATOM 2453 NE2 HIS A 152 -28.869 8.300 12.038 1.00 22.50 N ATOM 0 H HIS A 152 -22.942 10.334 12.135 1.00 62.12 H new ATOM 0 HA HIS A 152 -25.121 9.964 14.103 1.00 61.30 H new ATOM 0 HB2 HIS A 152 -25.942 11.380 12.236 1.00 71.24 H new ATOM 0 HB3 HIS A 152 -25.405 10.179 11.079 1.00 71.24 H new ATOM 0 HD2 HIS A 152 -27.150 8.037 10.702 1.00 23.11 H new ATOM 0 HE1 HIS A 152 -30.007 9.190 13.612 1.00 45.43 H new ATOM 0 HE2 HIS A 152 -29.502 7.565 11.723 1.00 22.50 H new ATOM 2462 N HIS A 153 -23.571 7.995 11.968 1.00 55.20 N ATOM 2463 CA HIS A 153 -23.158 6.607 11.737 1.00 51.01 C ATOM 2464 C HIS A 153 -22.243 6.105 12.862 1.00 35.11 C ATOM 2465 O HIS A 153 -21.283 6.778 13.243 1.00 4.12 O ATOM 2466 CB HIS A 153 -22.436 6.482 10.389 1.00 54.34 C ATOM 2467 CG HIS A 153 -23.331 6.678 9.202 1.00 30.34 C ATOM 2468 ND1 HIS A 153 -23.385 7.850 8.478 1.00 71.34 N ATOM 2469 CD2 HIS A 153 -24.207 5.835 8.608 1.00 42.34 C ATOM 2470 CE1 HIS A 153 -24.254 7.718 7.495 1.00 61.33 C ATOM 2471 NE2 HIS A 153 -24.763 6.508 7.552 1.00 62.04 N ATOM 0 H HIS A 153 -23.104 8.677 11.370 1.00 55.20 H new ATOM 0 HA HIS A 153 -24.057 5.991 11.723 1.00 51.01 H new ATOM 0 HB2 HIS A 153 -21.630 7.215 10.350 1.00 54.34 H new ATOM 0 HB3 HIS A 153 -21.974 5.497 10.325 1.00 54.34 H new ATOM 0 HD2 HIS A 153 -24.427 4.822 8.910 1.00 42.34 H new ATOM 0 HE1 HIS A 153 -24.505 8.475 6.767 1.00 61.33 H new ATOM 0 HE2 HIS A 153 -25.461 6.130 6.912 1.00 62.04 H new ATOM 2480 N HIS A 154 -22.544 4.922 13.393 1.00 22.11 N ATOM 2481 CA HIS A 154 -21.706 4.309 14.429 1.00 45.03 C ATOM 2482 C HIS A 154 -20.440 3.702 13.808 1.00 44.41 C ATOM 2483 O HIS A 154 -20.473 2.597 13.265 1.00 42.05 O ATOM 2484 CB HIS A 154 -22.497 3.234 15.187 1.00 74.11 C ATOM 2485 CG HIS A 154 -23.690 3.772 15.920 1.00 71.42 C ATOM 2486 ND1 HIS A 154 -24.948 3.856 15.360 1.00 63.33 N ATOM 2487 CD2 HIS A 154 -23.815 4.251 17.182 1.00 54.14 C ATOM 2488 CE1 HIS A 154 -25.790 4.358 16.242 1.00 31.21 C ATOM 2489 NE2 HIS A 154 -25.129 4.604 17.352 1.00 63.22 N ATOM 0 H HIS A 154 -23.358 4.368 13.126 1.00 22.11 H new ATOM 0 HA HIS A 154 -21.406 5.084 15.134 1.00 45.03 H new ATOM 0 HB2 HIS A 154 -22.828 2.472 14.481 1.00 74.11 H new ATOM 0 HB3 HIS A 154 -21.835 2.742 15.899 1.00 74.11 H new ATOM 0 HD2 HIS A 154 -23.027 4.338 17.916 1.00 54.14 H new ATOM 0 HE1 HIS A 154 -26.843 4.537 16.080 1.00 31.21 H new ATOM 0 HE2 HIS A 154 -25.530 4.995 18.204 1.00 63.22 H new ATOM 2498 N HIS A 155 -19.332 4.438 13.869 1.00 14.44 N ATOM 2499 CA HIS A 155 -18.072 3.998 13.254 1.00 41.32 C ATOM 2500 C HIS A 155 -17.041 3.569 14.319 1.00 40.12 C ATOM 2501 O HIS A 155 -16.358 4.451 14.890 1.00 38.28 O ATOM 2502 CB HIS A 155 -17.500 5.120 12.372 1.00 44.21 C ATOM 2503 CG HIS A 155 -16.315 4.701 11.548 1.00 70.24 C ATOM 2504 ND1 HIS A 155 -16.391 4.445 10.198 1.00 1.44 N ATOM 2505 CD2 HIS A 155 -15.022 4.486 11.891 1.00 53.41 C ATOM 2506 CE1 HIS A 155 -15.206 4.093 9.748 1.00 1.25 C ATOM 2507 NE2 HIS A 155 -14.353 4.107 10.752 1.00 30.42 N ATOM 2508 OXT HIS A 155 -16.906 2.352 14.568 1.00 38.28 O ATOM 0 H HIS A 155 -19.277 5.343 14.337 1.00 14.44 H new ATOM 0 HA HIS A 155 -18.284 3.127 12.634 1.00 41.32 H new ATOM 0 HB2 HIS A 155 -18.284 5.481 11.706 1.00 44.21 H new ATOM 0 HB3 HIS A 155 -17.211 5.957 13.008 1.00 44.21 H new ATOM 0 HD2 HIS A 155 -14.596 4.593 12.878 1.00 53.41 H new ATOM 0 HE1 HIS A 155 -14.971 3.835 8.726 1.00 1.25 H new ATOM 0 HE2 HIS A 155 -13.361 3.875 10.694 1.00 30.42 H new TER 2517 HIS A 155